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The Manifestation of Ideology in a Literary Translation : -. /0 12 ...'( :
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The Wonder of Reading: The Effect of Generative Study Strategies on EFL Learners’ Reading Comprehension and Recall of Short Stories
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Use of Articles in Learning English as a Foreign Language: A Study of Iranian English Undergarduates
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Clean the Coast! The Persian Gulf as the main place for cultural interactions
:
-./ */ :Resorting to the Coast: Tourism, Heritage and Cultures of the Seaside
:
United Kingdom :25-29 June 2009 :
:Nowadays, the Persian Gulf is mostly known for its fossilized energy; this
energy has been spread in a vast area in the northern, southern and within the Persian Gulf. After discovery of the main resources, the area was occupied by different European countries. Therefore, the competitions started and the area became as the main arena for challenges between vigorous countries. In this situation, talking about empathy and camaraderie is useless. Moreover, the Persian Gulf also played an important function as intermediary between east and west. Background of this function mostly dated back to the third millennium BC.With the development of tourism especially coastal tourism, it seems that the Persian Gulf could play another important function that could cause for cultural interactions. The Persian Gulf with different tourist attractions including, archaeological sites, environmental attractions, sport tourism, handicrafts and medical attractions, could be considered as the main pole for tourism. Situation of this gulf which is located between different countries; presence of the main fossilized energy resources and potential of different tourist attractions may help the planners in tourist section to design a long term plan to support tourism in this important area. Therefore, the aim of this paper is two folded, firstly to introduce tourist attractions of the Persian Gulf especially in northern part, and secondly to suggest the area for cultural interactions and friendships.
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The Creation of a Coastal Park as a Main Tourist Attraction: A Case Study of Qeshm Island
:
$( $F / 6!% :Restoring to the Coast: Tourism, Heritage and Cultures of the Seaside
:
( :+ 7/ . 4377 :
:Qeshm Island, which is located in the Strait of Hormus off the south
coast of Iran and east of the Persian Gulf, is situated a few kilometers off the southern coast of Iran, opposite the port cities of Bandar Abbas and Bandar Khamir. As stated, the island is situated in the Strait of Hormus, an important and sensitive geopolitical strait; it is also an important Free Trade Zone. Nowadays, these two important factors have made the island important in the country and the area. It is also notable to state that the island has significant tourist potentials. The most important tourist attractions of the island are categorized in five groups, including historical and archaeological sites, environmental and geo-tourism places, cultural and traditional handicraft sections, coastal sports, and commercial attractions. The most fascinating attractions are environmental and natural places, including salty cave, Hara marine jungle, and attractive coasts with beautiful landscape while tortoises are laying eggs. With these tourist potentials, the present paper aims to present sub-group of the above five tourist attraction groups, and to suggest a coastal park in the Qeshm Island. Situation of the Island in the Strait Hormoz, and between Iran and Arab countries located around the Persian Gulf and Oman Sea, and its function as a Free Trade Zone will also intensified its important as coastal park.
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Sources of Inflation in Iran: An application of the ARDL Approach
:
! "# $ :International Journal of Applied Econometrics and Quantitative
:
% :&''% :
:This paper examines the major determinants of inflation in Iran
using annual time series data (1971 to 2006) by applying the ARDL approach. Taking into account the special characteristics of Iran’s economy and by considering recent empirical studies in the context of inflation; an empirical model has been constructed which emphasizes the effects of liquidity; the exchange rate; GDF; the expected rate of inflation and imported inflation factors along with the dummy variable presenting the effect of Iran/Iraq war on Iran’s economy.The empirical results show that in the long-run ; the main determinants of inflation in Iran are liquidity ; the exchange rate ; the rate of expected inflation and the rate of imported inflation. All these variables had significant effects on the inflation rate in the short run. Moreover the destructive eight year war with Iraq had a positive effect on the inflation rate in the Iranian economy. Finally ; the error correction term (-0.3995)is found to be negative and statistically significant suggesting a quick adjustment process.
Effects of the Asian Financial Crisis on the Korean Economy: Some Further Empirical Evidence
:
Harvie :
The Empirical Economics Letters :Vol ( No % :&''% :
:Korea’s prolonged and remarkable period of economic growth and
development came to an abrupt halt with the onset of the financial and subsequent economic crisis of 1997-98. Increasingly apparent structural
weaknesses from the late 1980s and early 1990s were largely ignored while output and export growth continued unabated, but with global turbulence from the mid 1990s financial and economic conditions rapidly deteriorated. The paper presents empirical evidence demonstrating the significance of the crisis to structural breaks in key financial and economic variables for Korea. Based on the timing of these breaks the evidence presented indicates that the crisis initially affected the exchange rate and money supply, then GDP before impacting upon inflation and the interest rate.
Budget Deficits and Current Account Def icits in the Philippines: A Casual Relationship?
:
"# $Salman Saleh :American Journal of Applied Sciences :( :&''% :
:The problem of budget deficits and current account imbalance has
attracted serious consideration from academics and policy-makers in both developed and developing countries. The question is whether such relationship between budget deficits and current account deficits exist in the case of Philippines. Approach: The purpose of this study was to test the validity of the Keynesian proposition and the Ricardian equivalence hypothesis with respect to the direction of causality between budget deficits and current account deficits in the case of the Philippines. Testing procedure was applied to data from that country for period 1970-2005 to test sush relationships. Results: A bi-directional causality between budget deficits and current account deficits was found. This finding was plausible, given the economic crisis in the early 1980s which was associated with economic driven foreign debt in Marcos era. Conclusion: The results suggested that policy measures to reduce the budget deficit could play an important role in reducing the current account imbalances and vice-versa.
)
The Relationship between Inflation and Growth : Estimation of the Threshold point for Iran
:
*+ ,-.# "# $ :Journal of Asian Business Management :Vol No :
&''% :
:This paper explores the relation between inflation and economic
growth in Iran using annual data for the period 1959-2007 to check whether this relation has a structural breakpoint effect. The results indicate that for the Iranian economy, the threshold level of inflation above which inflation significantly slows growth is between 9-12 percent and that monetary policy aimed at keeping inflation within this range may be helpful for economic growth in Iran.
The Effects of Hand-Woven Carpet Exports in the Value Added of Carpet Sector in Iraninan Economy
:
/0 1 23 4 "# $ :Asian Journal of Development Matters :Vol No :
&''% :
:One of the goals of the major development-programs in Iran is
expanding the non-oil export and as Hand-Woven Carpet products are on of the main source of non-oil exports, its significance development of Hand-Woven Carpet sector and development of the country’s economy is obvious. So, extending the scientific studies on this matter is necessary. Considering the fact that handicraft and related sectors are one the most important and effective variables in macro economy of this country, it seems relevant to study the role of carpet exports sector in value added on fifty years ago (1959-2007) in Iran. In this study we used Augmented Dickey-Fuller test (ADF) and also Phillips-perron test (1989) to check whether some variables are stationary or non-stationary. Then we used unit root test in the presence of structural breaks to show that about half of the variables which were non-
)5
stationary by using conventional tests, would be stationary if we consider the presence of potential structural break. Thus, according to pesaran & Shin (2001), by using ARDL co integration, long term and short term estimates, compatibility between variables is found. The empirical results based on the ARDL test show that carpet exports have positive and meaningful relationship with value added in Hand-Woven carpet and the results show that while the effects of Hand-Woven carpet export is highly significant, as expected, gross capital formation have an even smaller effect that had been anticipated. Also, ECM coefficient is less that one which means there’s a long term relationship from sample variables to value added in Hand-Woven carpet.
Investigation of Being Monetary Inflation in Iran :23 "# $ 4 ! :
International Journal of Economic Issues :Vol No :
&''% :
:The purpose of this paper is to explain the main determinants of
inflation and the monetary inflation testing in Iran as an oil exporting economy during the period 1971-2007. Taking into account the special characteristics of Iran's economy and by considering recent empirical studies in the context of inflation, an empirical model has been specified and estimated by applying the ARDL methodology. The empirical results show that in the long-run, the main determinants of inflation are the imported inflation, liquidity, the non-oil GDP and the exchange rate, respectively. Moreover, the destructive eight-year war with Iraq had a positive effect on the inflation rate in the Iranian economy. Finally, using the linear restriction, the study finds that the inflation in Iran not had been only the monetary phenomenon but also the composition of mentioned factors is requires to explanation of inflation.
)6
The relation between macro-economy and food sequrity in Iran
:
78 9 :;! 23 4"# $ :Indian Society of Agricultural Economics :
:&''% :
Effects of the Asian Financial Crisis on the Korean Economy: Some Further Empirical Evidence
:
"# $charles Harvie :The Empirical Economics Letters :( :&''% :
:Korea’s prolonged and remarkable period of economic growth and
development came to an abrupt halt with the onset of the financial and subsequent economic crisis of 1997-98. Increasingly apparent structural weaknesses from the late 1980s and early 1990s were largely ignored while output and export growth continued unabated, but with global turbulence from the mid 1990s financial and economic conditions rapidly deteriorated. The paper presents empirical evidence demonstrating the significance of the crisis to structural breaks in key financial and economic variables for Korea. Based on the timing of these breaks the evidence presented indicates that the crisis initially affected the exchange rate and money supply, then GDP before impacting upon inflation and the interest rate.
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Inflation-inflation uncertainty nexus in Iran-Using TARCH :?"7 # 7= V, 1NS 4 8 G :
China-USA Business Review :Vol ( No HH :&''% :
:This paper examines the relationship between Inflation and Inflation
Uncertainty in Iran economy using monthly data of Iran over the period 1990-2009. TARCH model is used to peruse the stochastic variation and asymmetries in the economic instruments. The result indicates that there is a positive relationship between Inflation and Inflation Uncertainty. Also the authors investigate from the Granger causality test that inflation is Granger causality of inflation uncertainty.
Agility evaluation in public sector :?"7 # 8 G :
Chinese Business Review :Vol ( No H' :&''% :
:Agility metrics are difficult to define in general, mainly due to the
multidimensionality and vagueness of the concept of agility itself. In this paper, a knowledge-based framework is utilized for the measurement and assessment of public sector's agility by A.T.Kearney model. In this research, we used ?2 test in software. So, we discovered that the General Office of Standards & Industrial Research of Sistan & Baluchestan Province in Iran is agile. Finally, we determine the weakness points of organization by Friedman test.
)
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The Causality between Financial Development and Economic Growth
:
! "# $ u-9 4h.3 Tm! :Asian-African Journal of Economics and Econometrics :Vol ) No 6 :<55) :
:The present study examines The causal relationship between
financial development and economic growth far the Iranian economy over the period of 1974-2007. By applying the techniques of unit-root test and the long-run Granger non-causality test proposed by Toda and Yamamoto (1995), we test the causal relationship between the real GDP per capita and three financial development proxies. Our results follow the demand following hypothesis.
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Agricultural Export and Exchange Rate Volatility in Iran's Economy
:
:International Conference on Applied Economics :
:May 2009 :
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Distribution, Population, and Ecology of Black Francolin Francolinus francolonus bogdanovi on the Sistan Plain, in Relation to Plant Coverage and Drought
:
%& X*4 ! X"L D Tj Db >NH :Podoces :VoloNo 8 :rqqt :
:The population of Black Francolin was studied during the 2007–
2008 period in Sistan Plain in relation to plant vegetation and drought. The distribution of the species was mapped for the periods of before (2000) and after the drought (2000–2008) divided into three groups of habitats. Monthly Black Francolin number in Sistan is given for the 1995– 2007 period based on data obtained from Zabol Office of the Department of the Environment with a maximum number of 2,740 recorded in December 1999. Details of bird number are also given for some areas during the 2004–2007 period. Additionally plant coverage preferred by Black Francolin was studied in two areas of Niyatak Forest and Doost Muhammad Khan. A total of 33 plant species was identified in Niyatak and 28 species in Doost Muhammad Khan. The dominant plant species in spring was Phragmites australis in Niyatak and Stuvvie sp. in Doost Muhammd Khan; however Alhaji camelorum was the dominant species in summer and overall in both areas. Of 23 plots in Niyatak, crown cover of 30–40% and height of 50–60 cm had more birds and of 59 plots in Doost Muhammad Khan, crown cover of 20–30% and height of 20–30 cm also had more birds detected. Of 18 nests, clutch size varied from 4 to 11 eggs. Drought and illegal hunting are two main threatening factors for the Black Francolin population in Sistan Plain.
m
Diet of wintering Long-eared Owl Asio otus in Zabol, southeastern Iran
:
%& X*4 n 5 D! X"L D Tj D6 Q0 +# Q! :Ardea :Vol tuNo o :rqqt :
:We examined 250 pellets of Long-eared Owls Asio otus in 2006 and
2007 from winter roost sites in southeastern Iran. In contrast to the diet of wintering owls (e.g. mainly small mammals) reported elsewhere in the world, the diet of wintering Long-eared Owls at Zabol was predominantly larger rodents (c. 150 g). Specifically, big-size rodents, including the Indian Gerbil Tatera indica, and a Bandikoot Rat Nesokia indica made up 72.9% of the total biomass in the diet of the owls at Zabol. In addition to small mammal and bird species found in Long-eared Owl pellets from other regions, we found Meriones spp. and Gerbillus spp. (both are types of Gerbils) that, thus far, had not been reported in the diet of this owl.
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Application of Mud Volcanoes :
34 5$6 :International Conference on Resource Development and Environmental Change Emerging Issues and Challenges
:
India :27to 29January 2009 :
:A mud-volcano is an interesting natural phenomenon which can be
seen in various regions of the earth including the movable belt of Alps, Himalayas, Atlas Mountains and Central Asia. It can usually be noticed as a conical-shaped feature or a muddy reservoir which at times becomes a combination of blistering water, petroleum gases and hydrocarbon mud and microlithic sediment. The extrusive mud flows down the slope gradually from one or more pits usually smoothly but occasionally with explosion. The mud exuding process is usually accompanied by methane gas which burns in flames. Some of the mud-volcanoes carry sulfuric gas along with blistering water while some contain carbon dioxide and cold-mud. So far, the characteristics of mud-volcanoes and or the mechanism of their mineral formation and composition have been discussed and analyzed. Consequently the paper in hand endeavors to reveal, for the first time in Iran as well as in the world, various aspects of mud-volcanoes' application. No doubt, sporadic endeavors have been made globally but there has never been made any attempt to shape it in the form of an article.
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Necessity of Implementation of Environmental Considerations in Industrial Development and Fishing With Emphasis on Geomorphologic and Ecological Bases: A Case Study of Oman Seas, Sistan and Baluchistan Province
:
34 5$6 & WGp :International Conference on Resource Development and Environmental Change Emerging Issues and Challenges
:
India :27 to 29 January 2009 :
:From a view of geomorphology, Raised beaches that located in
border of Oman sea has raised gradually since 30-50 thousands years ego, and the amount of rising has estimated 1-3 millimeters per year. From subduction action in this region, with average 5 centimeters per year, ocean crust repelled bellow continent crust. This research carried out in Chabahar that is beginning from Bandar Gowater to Median cape at east of Hormozgan. Length of this region at coast line is more than 300 kilometer. Area of coastal water in this site is 5920 km2. in this region at the distance of approximate 2.5 km from coast, depth of water was up to 100m.now fishing in Sistan and Baluchestan province are based on capture and fishing
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from 11 jetty and places to evacuate captures and 2395 floating boat and ship and approximate 23 thousand permanent and seasonal fisherman in 32 fishing cooperative society and result of their efforts at 2006 was captured more than 180 thousand ton of marine animals. Composition of their captures are consist of more than 50 fish species that classify in 3 class; commercial benthic fish, big superficial and small surface fish. Unfortunately, major parts of them were captured with trails that have destructive traces on biological bed. Following of rapid increasing rate of capture in region, tens factories related to fishing industry with milliards of investigations was started in region, as the stock assessment studies do not show this capacity.Therefore, it is necessity that Environmental Conservation Administration applied to perfect development plan of industrial actions for example: establishing harbor, jetty building, port foundation, coastal road, free and tourism port, construction, military garrisons, airports, factories and . . . and permanent rising of land was attention in the future, don’t confront to problem. as well as, fishing actions in province was taken in consideration rapidly to prevent of boundless development and to remedy in conservation of sea rare habitats before to happen of environmental phenomenon and disaster, otherwise in near, coastal of Oman sea similar to Caspian sea will face to violent fish deficit, internal and external investigators will face to big economic bankrupt.
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Adaptive Grid Based on Geometric Conservation Law Level Set Method for Time Dependent PDE
:
` ,` " <% %<` :Numerical Methods for Partial Differential Equations :25 :2009 :
:A new method for mesh generation is formulated based on the
level set function.which are solutions of the standard level set evolution with the Cartesian coordinates as initial values(Liao et al.J Comput phys 159(2000),103-122;Osher and sethian J Comput Phys 79(1988),12; Sethian,Level set methods and fast marching methods, Cambridge University Press,1999;Di et al.J Sci Comput 31(2007),75-98).The intersection of the level contours of the evolving functions form a new grid at each time.The velocity vector in the evolution equation is chosen according to the Geometric Conservation Law(GCL) method(Cao et al., SIAM J Sci comput 24(2002),118-142).This method has precise control
a
over the Jacobian of Transformation because of using the GCL method. 2008 wiley Periodicals ,Inc.Numer Methods Partial Differential Eq 00:000-000,2008.
A Gradient Weighted Moving Finite-Element Mthod with Polynomial Approximation of Any Degree
:
985 (/ b<% %<` :Mathematical Problems in Engineering :
:2009 :
:A gradient weighted moving finite element method (GWMFE)
based on piecewise polynomial of any degree is developed to solve time-dependent problems in two space dimensions. Numerical experiments are employed to test the accuracy and effciency of the proposed method with nonlinear Burger equation.
Subpullbaks and Flatness Properties of S- PosETS : $/ K%c< L' :
Communications in Algebra :@d :>eef :
:In [5, pp. 829-850] study was initiated of flatness properties of
right acts AS over a monoid S that can be described in terms when the functor AS-preserves pullbacks. In that article, familiar flatness properties emerged in a new light, and new properties such as (PWP) and (WP) were discovered. In this article, we extend these results to S-posets. Also we introduce Conditions (WP)w and (PWP)w and consider the relation between them and Conditions (WP), (PWP), and po-flatness.
g
(Homo) Flatness of posets on poideal extensions : $/ K%c< L' :
Semigroup Forum :dA :>eef :
:We consider pomonoids S=G [(È)\dot] IS=G\;\dot\cup\;I , where
G is a pogroup and I is a poideal of S and show that if an S-poset is principally weakly flat, (weakly) flat, po-flat, (principally) weakly po-flat, (po-) torsion free or satisfies Conditions (P), (P E ), (P w ), (PWP), (PWP) w , (WP) or (WP) w as an I 1-poset, then it has these properties as an S-poset. We also show that an S-poset which is free, projective or strongly flat as an I 1-poset may not generally have these properties as an S-poset.
On Homological Classification of Monoids by Condition (PE)of Right Acts
:
D8 K%$5 K%c< L' :Italian Journal of Pure and Applied Mathematics :>= :>eef :
:In 1998 we introduced Condition (PE) and showed that every act
over a left inverse monoid S (i.e., S is regular and fef=fe for all e,f € E(s)) satisfies Condition (PE). Also we showed that Condition (PE) implies weak flatness, but the converse is not true. In this paper, we continue the investigation of Condition (PE) and give a classification of monoids by this Condition of (finitely generated, cyclic, monocyclic, Rees factor) right acts. Also we give a classification of monoids for which Condition (PE) of their right (Rees factor) acts imply some other properties and vice versa. Finally, we give some equivalent conditions over monoids for which torsion freeness of their acts imply Condition (PE) and also a new classification of that of Laan (1999), of monoids for which torsion freeness of their right Rees factor acts imply Condition (WP).
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On Strongly (P)-Cyclic Acts : D8 K%$5 $/ bK%c< L' :
Czechoslovaki Mathematical Journal :=f :>eef :
:By a regular act we mean an act such that all its cyclic subacts
are projective. In this paper we introduce strong (P)-cyclic property of acts over monoids which is an extension of regularity and give a classification of monoids by this property of their right (Rees factor) acts.
Computation of Matrix Operators Bounds with Applying New Extension of Hardy Inequality on Weighted Sequence Spaces I
:
I85 ...% K;B (/ + :Lobachevskii Journal of Mathematics :Vol @e No ? :>eef :
:Themain goal of the present study is to give some estimations for
upper bound and lower bound of some matrix operators on weighted sequence spaces d(w, p) and l p (w). We considered this problem for certain matrix operators such as Nörlund, Weighted mean, Ceasàro and Copson matrices, which is recently considered in [7–13]. Also, this study is an extension of [2]. Moreover, we present the exact solution of the lower and upper estimates for some particular matrix operators.
hi
Lower Bounds for Matrices on Block Weighted Sequence Spaces I
:
I85 ...(/ + :Czechoslovaki Mathematical Journal :=f :>eef :
:In this paper we consider some matrix operators on block
weighted sequence spaces lp(w, F). The problem is to find the lower bound of some matrix operators such as Hausdorff and Hilbert matrices on lp(w, F).
Extension of Hardy Inequality on Weighted Sequence Spaces : I85 ...% K;B b(/ + :
Journal of Sciences, Islamic Republic of Iran :>e :>eef :
:Let p ≥ 1 and ( Wn) n w be a sequence with non-negative entries.
If (tn,k) ≥0, denote by ||T||p,x the infimum of those U satisfying the following inequality: (Σ∞n=1wn(Σ∞k=1 tn,k ak)p)1/p ≤U (Σ∞k=1 WKAPK)1/P , whenever ( an) ?lp (w ) n p a ?l w . The purpose of this paper is to give an upper bound for the norm of operator T on weighted sequence spaces d(w,p) and lp(w) and also e(w,∞). We considered this problem for certain matrix operators such as Norlund, Weighted mean, Ceasaro and Copson matrices. This problem is considered by some authors like Bennett, Jamson and the first author on sequence spaces lp and weighted sequence spaces for some kind of matrix operators
h
Extension of Some Operations and Concepts on Intuitionstic Fuzzy Sets
:
I85 ...(/ + :Indian Journal of Mathematics and Mathematical Sciences :Vol = No ? :>eef :
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A new method to find the eigenvalues of Google matrix by rank-one perturbed matrices of special structure
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<= A!*0 ?@AA :
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matrices of special structure. One application of the result given to illustrate the usefulness of the theorem for the spectrum of the Google matrix.
Solving Preconditoned Linear Systems with M-matrices :
\V) \ -o6 W... U 4. %V) :
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<= A!*0 ?@AA :
:The preconditioner for solving the linear system Ax=b introduced in
[D.J.Evans, M.M.Martins, Trigo, The AOR interative method for new preconditioned linear systems, J.Comput. Appl. Math. 132(2001) 461-466] is generalized. We manifest that the convergence rate of Jacobi and Gauss-Seidel type methods can be increased by using the preconditional method when A is an M-matrix.
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A New RBF Algorithm in the Form of Matrix Decomposition for Solving Elliptic PDEs
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?m = n?U) ?@AA :
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for the solution of the linear system resulting from the discretization of elliptic PDEs. In this study, we propose an efficient algorithm for the evaluation of the particular solutions of three dimensional inhomogeneous elliptic partial differential equations (PDEs) using radial basis functions (RBFs).
On the Zeros of Associated Laguerre Polynomials With Special Structure
:
U 4. \V) \ :
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?m = n?U) ?@AA :
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polynomials Lαn whereas we know these types of polynomials are
orthogonal with to the weight function e-xxα , α ⟩ -1 on the interval (0,∞ ).
f
Improving the Eigenvalues Localization of the Complex Matrix
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First International Conference on Mathematics and Statistics :_# :
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2% Upt. \V) \ :
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uU) A?@A :
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The Miduk porphyry Cu deposit, Kerman, Iran: A geochemical analysis of the potassic zone including halogen element systematics related to Cu mineralization processes
:
! "# ،Kazuo Nakashima وDavid Richard Lentz :Journnl of Geochemical Exploration :$%& :'%%( :
:Miduk hypogene and supergene porphyry Cu–Mo mineralization
occurs within the Miocene porphyritic quartz–diorite and host Eocene plagioclase–hornblende phyric andesitic pyroclastic and flow sequence. Both the host rocks were extensively altered by hydrothermal fluids to dominantly potassic, phyllic, and argillic with interstitial to distal propylitic types.Biotite-bearing assemblages from the proximal potassic zone are dark to light brown and have Xphl from 0.56 to 0.68; F contents range from 0.15 to 1.8 wt.% and Cl contents range from 0.19 to 0.28 wt.%. Fluorine contents in the biotite negatively correlate with Xphl and XTi and Cl contents, and positively correlate with Xphl and SiO2. Calculated log (fH2O/fHF), log (fH2O/fHCl), and log (fHF/fHCl) values of fluid in equilibrium with these biotites ranging from 5.5 to 6.40, 4.64 to 4.79, and − 2.54 to − 1.68,respectively. Established halogen fugacity ratio contour lines are transected by the steeper slope of measured values of biotite composition; this suggests the fluid composition, fO2 and fS2 of the fluids, and reaction between wall rock and hydrothermal fluids play a key role in the resultant halogen fugacities recorded in biotite that is critical to interpreting metal complexing behaviour during magmatic-hydrothermal evolution. The intercept values of F [IV(F)] and Cl [IV(Cl)] for biotite from the potassic zone are similar to those of related plutonic rocks and other porphyry Cu deposits; the IV(Cl) tend to be more Cl-rich than comparable values of common igneous rocks. F-rich to F-poor biotite crystals from the Miduk deposit show a narrow range of F/Cl intercept values [IV(F/Cl)] consistent with porphyry Cu ore-forming fluids.
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Section of Permian Deposits and Fusulinids in the Halvan Mountains, Yazd Province, Central Iran
:
E.Ya.Leven 0"# t :Stratigraphy and Geological Correlation :Vol $E No ' :2009 :
:The Permian section situated northwest of Tabas in the Halvan
Mountains is studied and fusulinids occurring in the section are described. The Chili, Sartakht, and Hermez formations distinguished in the section are separated by horizons of bauxitic laterite and belong to the Khan Group formerly ranked as a synonymous formation. Fusulinids occur at two levels in the section. The lower one confined to the Chili Formation yields the so-called Kalaktash fusulinid assemblage of the late Sakmarian age. The second late Asselian assemblage has been discovered in pebbles from conglomerate-breccia in the basal laterite of the Sartakht Formation. A brief characterization of fusulinids is presented and three new species are described. The new Benshiella genus is discriminated from the Rugosofusulinidae family. As Skinner and Wilde (1965, 1966) changed the original diagnosis of the Pseudofusulina genus, we suggest, regarding all species, which have been attributed to this genus but do not satisfy the new diagnosis, as representing the new Nonpseudofusulina genus.
!
Differential responses of two Stellaria ecotypes to ultraviolet-B radiation and drought stress
:
"#$% "&'( )*+,-C.C. ChinnappaDavid M. Reid :Flora :204 :1388 :
:Enhanced ultraviolet-B (UVB) radiation and water deficit affect
plant growth and development. We determined the effects of UVB and drought stress on growth parameters and chemical attributes of two ecotypes (alpine and prairie) of Stellaria longipes under controlled-environment conditions. Clonal ramets of these ecotypes were grown under three UVB levels (0, 5, and 10 kJ m−2 d−1) and exposed to two watering regimes (well watered and drought stressed) for 21 days. Compared to the alpine, the prairie ecotype was taller, had higher number of nodes, and greater leaf area and specific leaf weight (leaf dry weight: leaf area), which resulted in increased dry matter in this ecotype. Overall, ‘prairie’ was higher in total chlorophyll (Chl), but lower in Chla:b ratio, flavonoids, and ethylene, than ‘alpine’. In both ecotypes, UVB and drought stress reduced growth and dry matter, whereas UVB increased carotenoids and flavonoids. Drought stress decreased ethylene evolution. These characteristics were also determined in plants growing in the field. In the field-growing plants, ‘prairie’ had higher growth and dry matter, but lower Chla:b ratio and flavonoids, than ‘alpine’. The two ecotypes responded differentially to UVB and watering regime, as ‘prairie’ appeared to be more sensitive to UVB and drought stress than ‘alpine’.
.
Differential sensitivity of canola (Brassica napus) seedlings to ultraviolet-B radiation, water stress and abscisic acid
:
"#$% "&'( )*+,-C.C. ChinnappaDavid M. Reid :Environmental and Experimental Botany :66 :2009 :
:Responses of canola (Brassica napus L.) seedlings to three
ultraviolet (UV)-B levels [0 (zero), 5 (ambient) and 10 (enhanced) kJ m−2 d−1], two watering regimes (well-watered and water-stressed), and two abscisic acid (ABA) levels (with and without application) were investigated. Overall, enhanced UVB and water stress negatively affected plant growth and physiology, but ABA had very little effect. Enhanced UVB decreased stem height, leaf area, plant dry matter, water use efficiency and wax content, but increased concentrations of chlorophyll a, carotenoids and flavonoids, and ethylene evolution. Water stress reduced stem height and diameter, leaf area, plant dry matter, leaf weight ratio and shoot:root weight ratio under zero and ambient UVB. Water stress also reduced chlorophyll a and carotenoids in plants exposed to enhanced UVB. ABA with watering regime had significant interactive effects only on leaf dry matter and wax content. We found that enhanced UVB and water stress adversely affected B. napus seedlings. Interaction between these two factors affected plant performance. In this interaction, ABA had little significant role. Also, optimum vegetative growth and biomass were achieved under ambient UVB.
Review: Structure of amyloid fibril in diseases :#/ 0* 12% $3 :
Journal of Biomedical Science and Engineering :4 :4556 :
:Tissue deposition of normally soluble proteins, or their fragments, as
insoluble amyloid fibrils causes both acquired and hereditary systemic amyloidoses, which is usually fatal. Amyloid is associated with serious
7
diseases such as Alz-heimer’s disease, type 2 diabetes, Parkinson’s Disease, Huntington’s Disease, cancer and the transmissible spongiform encephalopathies. In-formation concerning the structure and mecha-nism of formation of fibrils in these diseases is critical for understanding the process of pathol-ogy of the amyloidoses and to the development of more effective therapeutic agents that target the underlying disease mechanisms. Structural models have been made using information from a wide variety of techniques, including electron microscopy, X-ray diffraction, solid state NMR, and Congo red and CD spectroscopy. Although each type of amyloidosis is characterised by a specific amyloid fibril protein, the deposits share pathognomonic histochemical properties and the structural morphology of all amyloid fibrils is very similar. In fact, the structural similarity that defines amyloid fibres exists principally at the level of β-sheet folding of the polypeptides within the protofilament, while the different types vary in the supramolecular assembly of their proto-filaments.
Structure/function studies of dogfish α-crystallin, comparison with bovine α-crystallin
:
" 12% $3A.Rekasa "J.A.Carver R.C.Augusteyn :Molecular Vision :89 :4556 :
:α-Crystallin is the major protein of the mammalian lens where it
contributes to the refractive properties needed for vision and possibly to the stability of the tissue. The aim of this study was to determine whether the properties of α-crystallin have changed during the course of evolution.
:
CpG Island Methylation of TMS1/ASC and CASP8 Genes in Cervical Cancer
:
" ,; #< ,- $R.C.Sobti$+ #$ " :European Journal of Medical Research :
:2009 :
:Gene silencing associated with aberrant methylation of promoter
region CpG islands is an acquired epigenetic alteration that serves as an alternative to genetic defects in the inactivation of tumor suppressor and other genes in human cancers. - Aims: This study describes the methylation status of TMS1/ASC and CASP8 genes in cervical cancer. We also examined the prevalence of TMS1/ASC and CASP8 genes methylation in cervical cancer tissue and none – neo plastic samples in an effort to correlate with smoking habit and clinicopathological features. - Method: Target DNA was modified by sodium bisulfite, converting all unmethylated, but not methylated, cytosines to uracil,and subsequently amplified by Methylation Specific (MS) PCR with primers specific for methylated versus unmethylated DNA. The PCR product was detected by gel electrophoresis and combined with the clinical records of patients. - Results: The methylation pattern of the TMS1/ASC and CASP8 genes in specimens of cervical cancer and adjacent normal tissues were detected (5/80 (6.2%), 3/80 (3.75%)-2/80(2.5%), 1/80 (1.2%) respectively). No statistical differences were seen in the extent of differentiation, invasion, pathological type and smoking habit between the methylated and unmethylated tissues (P >0.05). - Conclusion: The present study conclude that the frequency of TMS1/ASC and CASP8 genes methylation in cervical cancer are rare (<6%), and have no any critical role in development of cervical cancer.
=
No association of TAP1 and TAP2 genes polymorphism with risk of cervical cancer in north Indian population
:
" ,; #< ,- $Ranbir Chander Sobti, * "#$ ,- *+Vanita Suri
:
J Assist Repord Genet :26 :2009 :
:Transporter associated with antigen processing (TAP), a member of
the ATP-binding cassette transporter super family, is composed of two integral membrane proteins, TAP-1 and TAP-2. The TAP gene product is involved in the processing of endogenous peptides that bind to MHC class I molecules. Mutations and/or polymorphism within these genes could alter the efficacy of the immune response which might be relevant for the development of autoimmune diseases and cancer.
Iranian beet necrotic yellow vein virus (BNYVV): prononuced diversity of the p25 coding region in A-type BNYVV and identification of P-type BNYVV lacking a fifth RNA species
:
" > ?@A "$2R.Koenig C.G.Bragard :Archives of Virology :89B :4556 :
:Beet necrotic yellow vein virus (BNYVV) was detected in 288 of the
392 samples collected in Iran. A-type BNYVV was detected most frequently. The p25 coding region on BNYVV RNA-3 was amplified by RT-PCR and sequenced. Nine different variants of the highly variable amino acid tetrad at positions 67-70 of p25 were identified, i.e. ACHG, AHHG, AYHG, ALHG, AFHR, AFHG, AHYG, VLHG and VHHG. These are more different tetrad variants than have been reported from any other country. The first three variants were found most commonly. In 23 out of the 288 BNYVV-positive samples, we detected P-type BNYVV that had previously been identified only in France, Kazakhstan and recently in the
UK. Surprisingly, none of these samples contained the fifth RNA species usually associated with P-type BNYVV in other countries. As in other BNYVV P-type sources, the p25 amino acid tetrad in positions 67-70 of the Iranian P-type consists of SYHG.
In vitro Callus Induction and Plant Regeneration Fron Withania coagulans: A Valuable Medicinal Plant
:
C*> - > ?@A :Pakistan Journal of Biological Sciences :48 :4556 :
:Leaf and internode explants of Withonia coagulans Dunal were used
to evaluate the effect of growth regulators on the in vitro callus induction and plant regeneration. Two independent experiments were performed to establish callus and plant regeneration. In the first experiment, leaf segments were cultured on MS basal medium fortified with 2, 4-dichlorophenoxyacetic acid (2, 4-D, 2-4 mg L<sup>-1</sup>) with combination of 6-benzyladenine (BA, 0.5-1 mgL<sup>-1</sup>) or kinetin (Kin, 0.5-1 mg L<sup>-1</sup>), Callus initiation was observed best in all media after 14-16 days (100%). Highest callus growth in terms of dry weight (76±5.34 mg) was observed in MS medium fortified with 2 mg L<sup>-1</sup> 2, 4-D and 0.5 mg L<sup>-1</sup> Kin. In the second experiment, call using also obtained from internode segments cultured on MS medium with the presence of 2, 4-D (2-4 mg L<sup>-1</sup>) in association with BA (0.25-0.5 mg L<sup>-1</sup>). Best callusing rates (42%) and dry weight (86±3.68 mg) occurred in the presence of 4 mg LL<sup>-1</sup> 2, 4-D with combination of 0.25 mg L L<sup>-1</sup> BA, Shoot induction was obtained just from callus induced from internode explants on MS medium containing BA (2 mg L<sup>-1</sup>) with IBA (0.5 mg L<sup>-1</sup>), but the yield of shoot regeneration was unsatisfactory (18.33%). Regenerated shoots were rooted best (100%) on half strength MS medium containing IBA (2 mg L<sup>-1</sup>) and produced 23 roots with an average root length of 6.5±0.41 cm. Rooted plantlets transferred to soil and sand mixture (2:1) showed 75% survival when
transferred to outdoor. The procedure reported here in vitro culture of W. coagulans for first time.ABSTRACT FROM AUTHORCopyright of Pakistan Journal of Biological Sciences is the property of Asian Network for Scientific Information and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.
DE F; #$ GH I,-; H$(Amaranthus retrofelexus L.) J'K L -; # GMN* O CP G+ $
:
+ GHP- #?@A *Q " 1*R @ * " > ?@A "G*? )- :#$K H :
8 :8STT :
Development of Eclipsed and Staggered Forms in Some Hydrogen Bonded Complexes
:
! "" #$% & '! :International of Journal Quantum Chemistry :109 :2009 :
:Intermolecular hydrogen bonding in X3CH·-NH3 (X = H, F, CI, and
Br) complexes has been studied by B3LYP, B3PW91, MP2, MP3, MP4, and CCSD methods using 6-311 + +G( d.p) and AUG-cc-PVTZ basis sets. These complexes could exist in both eclipsed (EC) and staggered (ST) forms. The differences between binding energies of EC and ST forms are negligible and all EC and ST shapes correspond to minimum stationary states. The order of stabilities of them is in an agreement with the results of atoms in molecules (AIM) and natural bond orbital (NBO) analyses. On the basis of low differences between binding energies, ST forms are more stable than EC forms in all complexes with the exception of Br3CH···NH3, which behaves just opposite. Although the differences between binding energies are negligible, they are consistent with the results of AIM analysis. © 2008 Wiley Periodicals, Inc. Tnt J Quantum Chern 109: 629-638, 2009
Relationship between calculated NMR data anf intermolecular hydrogen bond properties in X-pyridine…HF
:
() * + ,- +( '"" #$% & '! :Chemical Physics :355 :2009 :
:The effect of different substituents in para and rnetaposmons on the
NMR data of X-pyridine·· ·HF complex has been studied at B3LYP/6-31 1 ++G(d,p) level of theory. The relationship between NMR data and electron donation of substituents has been investigated. The results of topological properties of electron charge density calculated using atoms in molecules (AIM) analysis can be used to predict some NMR data. The magnetism-based indices. nucleus independent chemical shift NICS(I) and its z
.
component NICS( 1 )zz, were used to investigate the ring arornaticity changes on complexation. A linear correlation between Hammett coefficients and some NMR data could be found with a good correlation coefficient.
Antiarornaticity affects on the response of single walled armchair carbon nanotube to tension
:
'! ',/ 0+ " #$%1 2 " :Journat of Molecular Structure: THEOCHEM :895 :2009 :
:Antiarornaticiry of six-membered rings of a single-walled armchair
carbon nanotube (SWACNT) and topological properties of electron density at ring critical points (RCPs) and central axis were calculated in order to study unusual structural and energetic changes along tension. Relative changes in nucleusindependent chemical shifts (NICS) and electron densities at RCPs are in a good agreement with unusual structural and energetic changes. The power of CNT to rearrange the structure and decrease the ring antiaromaticity makes it possible to reduce the energy and endure more strain before fracture
Substituent Effect on Interamolecular Hydrogen Bounding in 2-Hydroxybenzaldehyde
:
3 "" #$% & '! :International Journal of Quantum Chemistry :109 :2009 :
:The effect of some substituents on intramolecular hydrogen bonding
of 5-X-2-hydroxybenzaldehyde (5-X-2-HBA) has been studied by B3LYP and MP2 methods using 6-311++G** and AUG-cc-PVTZ basis sets. The relationship between hydrogen bond energy EHB and electron donation (or withdrawal) of substituents has been investigated. An approximately good linear relationship has been detected between Hammett coefficients and
4
hydrogen bond formation energy (R2 = 0.98). Herein, population analysis has been performed by atoms in molecules (AIM) and natural bond orbital (NBO) methods. The results of AIM and NBO analyses are in a good agreement with calculated energy values. Furthermore, correlation between ring aromaticity and hydrogen bonding has been investigated by nucleus-independent chemical shift (NICS) at GIAO/B3LYP/6-311++G** level of theory.
The role of H···π interaction on some calculated NMR data :,- +( "" #$% '! :
Chemical Physics Letters :478 :2009 :
:The effect of C–H···π and X–H···π interactions on some NMR data
of haloacetylene···benzene, halomethane····benzene and hydrogen halide····benzene complexes has been studied at PBE0/6-311++G(d, p) and PBE1KCIS/6-311++G(d, p) levels of theory. The complexes were optimized by MP2 method using 6-311++G(d, p) and aug-cc-pVDZ basis sets. In addition to geometrical parameters and binding energies, topological properties of electron charge density calculated by atoms in molecules (AIM) method, and the results of natural bond orbital (NBO) analysis are in a good relationship with calculated NMR data. The consideration of these parameters aids in better understanding of NMR data in these complexes.
Interaction between uracil nuclobase and phenylalanine amino acid: the role of sodium cation in stacking
:
,- +( () * + '"" #$% '! :Theor Chem Acc :124 :2009 :
:The stacking interactions in the uracil:phenylalanine, U:PHE, and
(U:PHE)···Na+ complexes have been studied at different levels of theory when all structures were optimized by standard and gradient counterpoise
5
corrected methods. The Na+ cation can interact with different sites of stacked U:PHE unit, such that the interplay between π-π stacking and cation interaction could specially be investigated. Both geometrical parameters of the optimized structures and calculated binding energies reveal the influence of cation interaction on π-π stacking and vice versa. In addition, the interplay between π-π stacking and cation interaction has been investigated by topological analysis of electron charge density using atoms in molecules (AIM) method. A good agreement between the results of AIM analysis and calculated binding energies has also been found for the optimized structure of the stacked U:PHE and (U:PHE)···Na+ complexes.
The effect of carbon hybridization and halogen-acceptor type on some calculated NMR data in C-X…H-F hydrogen bonds
:
"" #$% ! ',- +( :Chemical Physics Letters :483 :2009 :
:The effect of carbon hybridization and halogen-acceptor type on
some NMR data have been investigated in C−X H−F (X = 19F, 35Cl, 81Br) hydrogen bonds at B3LYP/6-311++G(d,p), PBE1KCIS/6-311++G(d,p) and MP2/6-311++G(d,p) levels of theory. In these complexes, halomethanes, haloethylenes and haloacetylenes are considered as proton acceptor and HF as the proton donor. Unlike ∆E, 1hJX–H, and 2hJX–F values. The isotropic value of the proton shielding tensor of hydrogen fluoride increases as follows: C(sp) > C(sp2) > C(sp3). This trend for fluorine of hydrogen fluoride depends on halogen-acceptor type.
6
Estimation of individual binding energies in some dimers involving multiple hydrogen bonds using topological properties of electron charge density
:
( "" #$% '! :Chemical Physics :365 :2009 :
:Individual hydrogen bond (HB) energies have been estimated in
several systems involving multiple HBs such as adenine–thymine and guanine–cytosine using electron charge densities calculated at X Hhydrogen bond critical points (HBCPs) by atoms in molecules (AIM) method at B3LYP/6-311++G** and MP2/6-311++G** levels. A symmetrical system with two identical H bonds has been selected to search for simple relations between ρHBCP and individual EHB. Correlation coefficient between EHB and ρHBCP in the base of linear, quadratic, and exponential equations are acceptable and equal to 0.95. The estimated individual binding energies EHB are in good agreement with the results of atom-replacement approach and natural bond orbital analysis (NBO). The EHB values estimated from ρ values at H X BCP are in satisfactory agreement with the main geometrical parameter H X. With respect to the obtained individual binding energies, the strength of a HB depends on the substituent and the cooperative effects of other HBs.
Cooperativity of π-stacking and hydrogen bonding interactions and substituent effects on X-ben || pyr…H-F complexes
:
() * + 3 0+( '"" #$% '! :Physical Chemistry Chemical Physics :11 :2009 :
:Quantum chemical calculations have been performed to gauge the
effect of π-stacking and hydrogen bonding interactions on each other in X-ben||pyr···H-F (X = NO2, CF3, CN, F, Cl, CH3 and OH) complexes. The
7
results indicate the cooperativity of interactions in these complexes where face-to-face aromatic interactions and hydrogen bonding interactions coexist. The effects of substituents on the X-ben||pyr···H-F complexes have also been studied with the MP2 method using 6-31G** basis set. Total binding energy increases by both electron-donating and withdrawing substituents. Herein, computational results indicate enhanced π-stacking interaction for all substituted complexes related to unsubstituted case. On the other hand, H···N hydrogen bond interaction is declined by strong electron withdrawing substituents (NO2 and CN) only. The cooperativity of π-stacking and H···N hydrogen bond interaction has also been studied by using the atoms in molecules (AIM), natural bond orbital (NBO) and molecular electrostatic potential (MEP) analyses. There are good relationships between Hammett constants and energy data, geometrical parameters, and the results of population analysis in X-ben||pyr···H-F and X-ben||pyr complexes. The characteristics of interactions are directly in relationship with the electrostatic interaction between the rings.
8
One-pot three-component reaction of aromatic isocyanides and dialkyl acetylene dicarboxylates in the presence of aryl aldehydes: A convenient synthesis of highly hinderanced aminofurans
:
! '"" #$% & '9% !: ; ',+ 09( <3= := '<>? 2/ @ <A '3B9C+ DE ', F&* ' (
:
Iranian Journal of Organic Chemistry :1 :2009 :
:
G
Theoretical, kinetics and mechanism investigation of the reaction between triphenylphosphine, di-tert-butyl acetylenedi - carboxilate and OH-acid
:
'"" #$% & 2 / '<B H '9% !: ; '! B? B) <>?
:
Iranian Journal of Organic Chemistry :3 :2009 :
:
A facile synthesis and theoretical study of novel stable heterocyclic phosphorus ylides containing 2,4-dimethyl-3-acetyl pyrrole
:
'! '9% !: ; '"" #$% &1&( @I <B H :Iranian Journal of Organic Chemistry :4 :2009 :
:A general and practical route has been considered for the synthesis
of stable heterocyclic phosphorus ylides 3a-c by a one-pot condensation reaction between dialkyl acetylenedicarboxylate and triphenylphosphine in the presence of -NH heterocyclic compounds such as 2,4-dimethyl-3-acetyl pyrrole. The stable ylides 3a-b exist in solution as a mixture of the two isomers, while 3c indicates only one isomer. For this reason, the assignments of more stable Z- or E-isomers as the major or minor forms were investigated using the theoretical calculations. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.
AIM analysis for the ylide rotamers from the reaction between triphenylphosphine and dialkyl acetylenedicarboxilates in the presence of 2-pyrrolecarbaldehyde
:
'"" #$% & 2 / B? B) '9% !: ; '! <>?
:
Iranian Journal of Organic Chemistry :1 :2009 :
:
Kinetic and Mechanism Investigation of the Reactions of Triphenylphosphine, Dialkyl Acetylenedicarboxylates and NH-Acids by Ultra Violet
:
@ <B?@ / '! '9% !: ; '"" #$% & '<B HB? B)
:
Asian Journal of Chemistry :Vol JK No J :2009 :
:The works undertaken were to carry out kinetic studies of the
reactions between triphenylphosphine, dialkyl acetylenedicarboxylates in the presence of NH-acid, such as 2-acetylpyrrole or 2-pyrrolecarbaldehyde.
To determine the kinetic parameters of the reactions, they were monitored by UV spectrophotometery. The second order fits were automatically drawn and the values of the second order rate constant (k2) were calculated using standard equations within the program. At the temperature range studied the dependence of the second order rate constant (Ln k2) on reciprocal temperature was in agreement with Arrhenius equation. This provided the relevant plots to calculate the activation energy of all reactions. Furthermore, useful information were obtained from studies of the effect of solvent, structure of reactants (different alkyl groups within the dialkyl acetylenedicarboxylates and NH-acids) and also concentration of reactants on the rate of reactions. Proposed mechanism was confirmed according to the obtained results and steady state approximation and first step (k2) of reaction was recognized as a rate determining step on the basis of experimental data
Dynamic 1H NMR study around the heteroaryl–carbon and carbon–carbon single bonds and also around carbon–carbon double bond in a particular phosphorous ylide involving a2-methyl indole
:
'! '9% !: ; '"" #$% L% 0M9 ' !I 0:I <>? 2 /
:
Tetrahedron Letters :50 :2009 :
:For the first time, a series of separate dynamic 1H NMR effects are
reported at different temperatures within a particular phosphorous ylide involving a 2-methyl indole namely dimethyl 2(N-2-methyl indole-1-yl)-3-(triphenyl phosphoran ylidene) butandioate. These effects are attributed to restricted rotation around the heteroaryl–carbon and carbon–carbon single bonds and also around carbon–carbon double bond. Rotational energy barrier (∆G#) for their interconversion process of rotational isomers equals (55.33, 49.91 and 70.16) ± 2 kJ mol−1, respectively.
Synthesis of Stable Phosphorus Ylides from 6-Chloro-2-Benzoxazolinone and Kinetic Investigation of the Reactions by UV Spectrophotometry
:
'<>? 2 / '"" #$% & 'B? B) !: ; '! N O PI 9%
:
Progress in Reaction Kinetices and Mechanism :34 :2009 :
:Stable crystalline phosphorus ylides were obtained in excellent
yields from the 1 : 1 : 1 addition reactions between riphenylphosphine and dialkyl acetylenedicarboxylates, in the presence of an NH-acid, such as 6-chlorobenzoxazolinone. These stable ylides exist in solution as a mixture of two geometrical isomers as a result of restricted rotation around the carbon–carbon partial double bond resulting from conjugation of the ylide moiety with the adjacent carbonyl group. To determine the kinetic parameters of the reactions, they were monitored by UV spectrophotometry. The second order fits were drawn and the values of the second order rate constant (k2) were calculated automatically using standard equations within the program. Over the temperature range studied, the dependence of the second order rate constant (Ln k2) on reciprocal temperature was in a good agreement with the Arrhenius equation, leading to the activation energies of all reactions. Furthermore, useful information was obtained from studies of the effect of solvent, the structure of reactants (different alkyl groups within the dialkyl acetylenedicarboxylates) and also the concentration of reactants on the rate of reactions. The proposed mechanism is consistent with the results obtained and the steady state approximation, and the first step (k2) of reaction was recognized as the rate-determining step on the basis of experimental data.
.
Theoretical Study, An Efficient Synthesis Route to, And Kinetic Investigation of, Stable Phosphorus Ylides Derived from Benzamide
:
'A B?@ / ' & '9% !: ; '! '"" #$% & 0O= !@ ,% / '<>? 2 / 'H M* 0"/
:
Progress in Reaction Kinetices and Mechanism :34 :2009 :
:The synthesis, theoretical study and a kinetics and mechanistic
investigation are described as a one-pot condensation reaction between benzamide and acetylenic esters in the presence of triphenyphosphine to generate a novel stable phosphorus ylides. For the first time, theoretical calculations have been employed to assign the most stable isomers (Z or E) of phosphorus ylides 4a-c by AIM and NBO theory, in which Z-4(a,b) are the more stable forms, whereas Z-4c appears as a single isomer. In these cases, the 1H, 13C and 31P NMR spectra of these ylides are consistent with the results obtained from theoretical calculations. Kinetic investigation of the new ylides was undertaken by UV. Useful information was obtained from studies of the effect of solvent, structure of reactants (different alkyl groups within the acetylenic esters), and also the concentration of reactants on the rate of reactions. The proposed mechanism was consistent with the results obtained; from the steady-state approximation, the first step (k2) of the reaction was recognized as the rate-determining step on the basis of the experimental data.
4
Synthesis of heterocyclic phosphorous esters by reaction between triphenyl phosphite and acetylenic diesters in the presence of sulfur-containing heterocyclic compounds
:
F&* '9% !: ; ',( +( '"" #$% ',"? B( ' = 2 @ 1&( 2/ ,9 "1H ',
:
Journal os Sulfur Chemistry :Vol QR No S :2009 :
:The reaction between triphenyl phosphate and acetylenic esters in
the presence of some heterocyclic compounds such as oxazolo[4,5-b]pyridine-2(3H)-thione, 2-mercaptobenzothiazole or 2-mercaptopyrimidine led to the formation of phosphonato esters in high yield.
Chemoselective Synthesis of Stable Phosphorus Ylides from 6-Azauracil and Mechanistic Investigation of the Reaction by UV Spectrophotometry
:
>? 2/ '! '9% !: ; '"" #$%A B?@ / < :Phosphorus, Sulfur, and Silicon :184 :2009 :
:Stable crystalline phosphorus ylides were obtained in excellent
yields from the 1:1:1 addition reaction between triphenylphosphine and dialkyl cetylenedicarboxylates, in the presence of NH-acids such as 6-azauracil. These stable ylides exist in solution as a mixture of two geometrical isomers as a result of restricted rotation around the carbon-carbon partial double bond resulting from conjugation of the ylide moiety with the adjacent carbonyl group. To determine the kinetic parameters of the reactions, they were monitored by UV spectrophotometry. The second order fits were automatically drawn, and the values of the second order rate constants (k2) were automatically calculated using standard equations. At the temperature range studied, the dependence of the second order rate constant (Ln k2) on reciprocal temperature was in agreement with the Arrhenius equation. This provided the relevant plots to calculate the
.5
activation energy of all the reactions. Furthermore, useful information was obtained from studies of the effect of solvent, structure of reactants (different alkyl groups within the dialkyl acetylenedicarboxylates), and also concentration of reactants on the rate of reactions. The proposed mechanism was confirmed according to the obtained results, and a steady-state approximation and first step (k2) of the reaction was recognized as a rate-determining step on the basis of experimental data.
One-pot synthesis of stable phosphorus ylides using aldehyde phenylhydrazone derivatives
:
B! @3 I '"" #$% & '9% !: ; ',+ 09( ',( +(, F&*
:
Arkivoc :7 :2009 :
:Stable crystalline phosphorus ylides were obtained in excellent
yields from the 1:1: 1 addition reaction between triphenylphosphine and dialkyl acetylenedicarboxylates in the presence of phenylhydrazone derivatives, such as 1-benzylidene-2-phenylhydrazine, 1-(3-chlorobenzylidene)-2-phenylhydrazine, 1-(2,4-dinitrobenzylidene)-2-phenylhydrazine, 1-(4-nitrobenzylidene)-2-phenylhydrazine, 1-(2-fluorobenzylidene)-2-phenylhydrazine, 1-(4-fluorobenzylidene)-2-phenylhydrazine or 1-(2,4-dichlorobenzylidene)-2-phenylhydrazine. These stable ylides exist in solution as a mixture of two geometrical isomers as a result of the restricted rotation around the carbon-carbon partial double bond resulting from the conjugation of the ylide moiety with the adjacent carbonyl group.
.6
An efficient method for synthesis of organophosphorus compounds in aqueous media
:
B H 0+( 9% !: ; ',( +( :Chinese Chemical Letters :20 :2009 :
:A convenient and facile one-pot synthesis of stable phosphorus
ylides and 1,4-diionic organophosphorus compounds is reported by the reaction of triphenylphosphine, dialkylacetylenedicarboxylates and N-H, C-H or S-H acids in the presence of polyethyleneglycol (PEG), β-cyclodextrin (β-CD), glycerine (Gly) or ethyleneglycol (EG) in water. This methodology is of interest due to the use of water as a solvent, thus minimizing the cost operational hazards, and environmental pollution.
determination of new octaethylporphyrin iron(III) complexes containing cyanamide derivatives as axial ligand
:
TM F! 'I ,@( FU ',#V V 'W$ &= <A Brian O.Patrick
:
Inorganica Chemica Acta :362 :2009 :
:The reactions of heme, [OEPFeCl] where OEP is the dianion of
octaethylporphyrin, with phenylcyanamide (pcyd) ligands have been studied. Four new porphyrin complexes, [OEPFe(L)] (L = pcyd (2), 2-Clpcyd (3), 2-Mepcyd (4), 2,4-Me2pcyd (5)), have been isolated and characterized by spectroscopic methods. 1H NMR spectroscopy reveals that the species [OEPFe(L)] are paramagnetic and iron is five-coordinate. The structure of [OEPFe(pcyd)] (2) has been determined by X-ray diffraction analysis. The four Fe–N, bond distances have average values of 2.062 Å. The average displacement of the iron(III) atom from the mean porphinato core is 0.45 Å. Electrochemical of [OEPFe(L)] (L = pcyd (2), 2-Clpcyd (3), 2-Mepcyd (4), 2,4-Me2pcyd (5)) have been studied by cyclic voltammetry.
.7
Synthesis, molecular structure, and properties of six-coordinate iron(III) porphyrin, [OEPFe(Pz)2]ClO4
:
'I ,@( FU 'W$ &= <A - 3EX ',(#V NBY Brian O.Patrick :Inorganica Chimica Acta :362 :2009 :
:The effect of pyrazine as axial ligand on the formation and
coordination of heme analogue has been studied. A new six coordinate and stable iron(III) heme analogue, [OEPFeIII(Pz)2]ClO4, where OEP is octaethylporphyrin and Pz is pyrazine, has been isolated. The compound has been characterized by different spectroscopic methods 1H NMR, UV–Vis, IR as well as elemental analysis. 1H NMR spectroscopy and magnetic moment measurements show that [OEPFeIII(Pz)2]ClO4 is paramagnetic and iron is six coordinate. The structure of [OEPFeIII(Pz)2]ClO4 has been determined by X-ray diffraction analysis. The four Fe–Np, bond distances have average values of 1.985 Å.
Praseodymium (III) complexes with 1,10-phenanthroline and cyanamide derivatives as N-donor ligands
:
0O= NM& '3 & 'I ,@( FU 'W$ &= <ABrian O.Patrick
:
Inorganica Chimica Acta :362 :2009 :
:The molecular structure of praseodymium (III) complex with 1,10-
phenanthroline (phen), [Pr(phen)2Cl3·OH2] (1) was determined by single-crystal X-ray diffraction. Crystal data: crystal system, triclinic, space group P and Z = 2, a = 7.1110(7) Ǻ, b = 10.1716(10) Ǻ, c = 17.2367(18) Ǻ,α = 80.922(5)°, β = 78.759(5)°, γ = 70.151(5)°, R1 = 0.036; wR2 = 0.076 for all data. Treatment of aqueous solution of [Pr(phen)2Cl3·OH2] (1) with thallium phenylcyanamide salts yield [Pr(phen)2(L)3] (L = pcyd (2), 2-Clpcyd (3), 2,3,5-Cl3pcyd (4), 2,3,4,5-Cl4pcyd (5)). Four new praseodymium (III) complexes have been characterized by IR, UV–Vis and
.8
1H NMR spectroscopy as well as elemental analysis. The 1H NMR spectra of these complexes show broadening of ligand protons attributed to coordination of paramagnetic center
Synthesis, structure and spectroscopic study of Cu(II) polypyridine complexes with phenylcyanamide derivative ligands
:
,(B3#& ,! +( + :Journal of Coordination Chemistry :Vol ZJ No S :2009 :
:Several new mononuclear copper(II) complexes, [Cu(phen)2L]PF6,
where phen = 1,10-phenanthroline and L = monoanions of phenylcyanamide (pcyd), 2,5-dichlorophenylcyanamide (2,5-Cl2pcyd), 2-dichlorophenylcyanamide (2-Clpcyd) and 4-methylphenylcyanamide (4-Mepcyd), have been prepared and characterized by elemental analysis, UV-Vis, IR and 1H NMR spectroscopies and cyclic voltammetry. [Cu(phen)2(2,5-Cl2pcyd)]PF6 crystallized with a molecule of acetone with empirical formula of C31H20N6OF6Cl2PCu in a triclinic crystal system and space group P1 with a = 9.2086(6) , b = 13.3117(9) , c =15.5313(10) , = 107.8210(10)°, β = 104.6180(10)°, γ = 104.1670(10)°, V = 1643.21(19) 3 and Z = 2. The structure was refined using 7555 Mo-Kreflections with I > 2σ(I) and R1 = 0.0276 and Rw = 0.0692. The results are consistent with a mostly σ bonding interaction between Cu(II) and cyanamide anion. The LMCT band intensity and electrochemical potentials are compared with ruthenium phenylcyanamide analogues.
.G
Pyradine-2,6-Dicarboxylic Acid (Dipic): Crystal Structure from Co-Crystal to a Mixed Ligand Nickel(II) Complex
:
,(B3#& ,! '&* 9= '9" B? / ' +( + '@ 2 ( B( 0+
:
Journal of Chemical Crystallography : :
2009 :
:Pyridine-2,6-dicarboxylic acid (dipic) was used for the synthesis of a
co-crystal with 1,10-phenanthroline-5,6-dione (phen-dione) and a nickel(II) complex. The co-crystal dipic·phen-dione·4H2O (1) has been synthesized and studied by X-ray crystallography. The structure is stabilized with hydrogen bonds between dipic, H2O and phen-dione. It is surprising that there is no direct hydrogen bonding between phen-dione and dipic and yet the molecules co-crystallize in aqueous solution. A new complex of nickel(II), [Ni(phen)(dipic)(H2O)]·4H2O (2), (where phen = 1,10-phenanthroline) has been synthesized and characterized by elemental and thermogravimetric analyses, FT-IR, UV–Vis and 1H-NMR spectroscopy. The structure of (2) has been studied by X-ray crystallography. The coordination around Ni(II) is a distorted octahedron. The crystal packing shows that the dimensionality of (2) is enlarged to 3D, through hydrogen bonds and π–π interactions. Cyclic voltammetry of (2) shows that the Ni(II/I) couple is irreversible.
Proton-Transfer Mechanism in 2-Thioxoimidazolidin-4-one: A Competition between Keto/Enol and Thione/Thiol Tautomerism Reactions
:
( 2 ,* 1& :Bull.Chem.Soc.Jpn :Vol: [J No:3 :2009 :
:
The direct and water-assisted proton-transfer mechanisms in 2-thioxoimidazolidin-4-one (1,3-IM) via two keto/enol and thione/thiol
.
mechanisms were investigated by using DFT (B3LYP) and ab initio (MP2) methods in the gas phase.
Influence of hydration on the protomeric tautomerism in selenium analogue of methimazole: A computational chemistry study
:
,* 1& ( 2 :Journal of Molecular Structure: Theochem :
:2009 :
:Hydrogen bond assisted proton transfer reactions were investigated
in 3-methyl-1H-imidazole-2(3H)-selone (MSeI) and 1H-imidazole-2(3H)-selone (SeI) at B3LYP/6-311++G(2d,2p) level of theory. The B3LYP results predict that the direct proton transfer process in MSeI and SeI is more difficult than the water-assisted one. The results also show that the selone complexes are more stable than corresponding selenol ones. Interaction energies for a single NHSe hydrogen bond in dimers MSeI and SeI are −31.3 and −32.7 kJ/mol, respectively. ZPE-corrected binding energies in the self-association complexes of the MSeI and SeI are greater than the water-associated complexes. The small negative value of H(r) obtained by AIM analysis at B3LYP/6-311++G(2d,2p) level reveals some contribution of sharing interaction (partially covalent) to the SeHN bond in dimers of the MSeI and SeI. AIM data also reveal the partially covalent nature of SeH6 interaction and electrostatic nature of OH5 interaction in water-associated complexes. Results of charge analysis show that the selenium analogue of the methimazole is more nucleophilic than the methimazole. Our results confirm that the selenium analogue of methimazole can exist as a zwitterionic form.
.
Hydrogen Bonding in Acetylacetaldehyde: Theoretical Insights from the Theory of Atoms in Molecules
:
',@( +Jalbout A.F. '*V ' = ' ( 2 'A.DE Elon \(
:
International Journal of Quantum Chemistry :109 :2009 :
:All the possible conformations of tautomeric structures (keto and
enol) of acetylacetaldehyde (AAD) were fully optimized at HF, B3LYP, and MP2 levels with 6-31G(d,p) and 6-311++G(d,p) basis sets to determine the conformational equilibrium. Theoretical results show that two chelated enol forms have extra stability with respect to the other conformers, but identification of global minimum is very difficult. The high level ab initio calculations G2(MP2) and CBS-QB3) also support the HF conclusion. It seems that the chelated enol forms have equal stability, and the energy gap between them is probably lies in the computational error range. Finally, the analysis of hydrogen bond in these molecules by quantum theory of atoms in molecules (AIM) and natural bond orbital (NBO) methods fairly support the ab initio results.
The Gas Phase Hydrogen-Bonded Dimers of HOCL: A High-LeveQuantum Chemical Study
:
' ( 2 ]DI ,@( + ... :International Journal of Quantum Chemistry :109 :2009 :
:The O···H O and Cl···H O hydrogen bonding interactions were
analyzed for HOCl dimers by using B3LYP, MP2, CCSD, and MP4(SDTQ) methods in conjunction with the various basis sets. Five isomers were found for the HOCl dimer. The ZPE and BSSE corrected binding energies were computed at the different levels of theory. At the optimized geometries obtained at CCSD/AUG-cc-pVDZ level, energies were re-evaluated at MP4(SDTQ)/AUG-cc-pVTZ and CCSD(T)/cc-pVTZ levels of theory. We
.
found an average of −20.9 and −9.6 kJ/mol for the strength of the O···H and Cl···H hydrogen bonding interactions, respectively. Excitation and vertical ionization energies as well as rotational constants were computed at different levels of theory. The quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analysis were used to elucidate the nature of the interactions of HOCl dimers. The interaction energies were decomposed by Morokuma methodology. We have computed ∆fH°(HOCl) and ∆fH°(HOCl+) using the atomization reactions. The ∆fH°298(HOCl) values are −17.85 and −18.05 kcal/mol by using CBS-Q and CBS-QB3 extrapolation models, respectively, in good agreement with the results given in JANAF tables.
Quantum chemical study of the O3-HONO complex :,( 0%- ( 2 :
Chemical Physics Letters : :
2009 :
:Gas phase hydrogen-bonded isomers of the O3–HONO complex
have been investigated by means of DFT(B3LYP), MP2, MP4(SDTQ), CCSD(T) and QCISD(T) methods in conjunction with the 6-311++G(2d,2p), 6-311++G(df,pd), AUG-cc-pVDZ and AUG-cc-pVTZ basis sets. Ten isomers were found for the O3–HONO complex. The O Hand O O interactions are predicted that participate in the formation of non-planar ring structure of the most stable isomer. The AIM calculations reveal that the O H interaction in the most stable complex is stronger than others. In addition, both O H and O O interactions in O3–HONO complexes are electrostatic in nature.
..
Interaction Between NH2NO and H2O2: A Quantum Chemistry Study
:
'I LV ',@( + ' ( 2 09 ]DI ,"? 0MI :International Journal of Quantum Chemistry :109 :2009 :
:The H-bonded complexes formed from interaction between NH2NO
(NA) and H2O2 (HP) have been investigated by using B3LYP and MP2 methods with a wide range of basis sets. We found six H-bonded complexes in which three of them have cyclic structure. Calculations carried out at various levels show that the seven-membered cyclic structure with O···HO and O···HN hydrogen bonding interactions is the most stable complex. The large binding energy obtained for A1 complex probably results from a more linear arrangement of the O···H N and O H···OH-bonds in the seven-membered structure A1. The natural bond orbital (NBO) analysis and the Bader's quantum theory of atoms in molecules have been used to elucidate the interaction characteristics of the NA-HP complexes. The NBO results reveal that the charge transfer energy corresponds to the H-bond interactions for A1 complex is grater than other complexes. The electrostatic nature of H-bond interactions is predicted from QTAIM analysis.
!_1& ,! `( 0 <1& a= bX c9 X :1& + :
0H d<1B@ HBE :JRe :KQ[[ :
.4
Environmentally Friendly Preparation of 3,4- dihydropyrimidi -n-2(1H)-thiones Catalyzed by Al(H2PO4)3
:
f3* H <3 gV '<B: +( :Phosphorus, Sulfur and Silicon :184 :2009 :
:An efficient, facile, simple, and green synthetic protocol for the
Biginelli reaction has been developed for the preparation of 3,4-dihydropyrimidin-2(1H)-thione derivatives under thermal and microwave irradiation, solvent-free conditions, in the presence of aluminum hydrogen phosphate, Al(H2PO4)3, as an environmentally friendly heterogeneous recyclable catalyst, in high to excellent yields and short reaction time. In addition, the catalyst could be easily recovered from the reaction mixture by simple filtration and reused several times without any loss of activity.
An Efficient Synthesis of Multi-Substituted 3,4-Dihydropyrimidin-2(1H)-ones/thiones Under Solvent-Free Microwave Irradiation Using Alumina Sulfur Acid
:
f3* H <3 gV '<B: +( :Phosphorus, Sulfur and Silicon :184 :2009 :
:A new and efficient method for the synthesis of multi-substituted
dihydropyrimidinone derivatives or their sulfur analogs has been developed under solvent-free microwave irradiation conditions in the presence of alumina sulfuric acid (Al2O3-SO3H) as an environmentally friendly heterogeneous recyclable catalyst, in high yields and short reaction time.
45
Reusable silica supported poly phosphoric acid catalyzed three-component synthesis of 2H-indazolo[2,1-b]phthalazine-trione derivatives
:
f3* H <3 gV '<B: +( :Arkivoc :ii :2009 :
:An efficient synthesis of 2H-indazolo[2,1-b]phthalazine-
1,6,11(13H)-trione derivatives from the three-component condensation reaction of phthalhydrazide, dimedone, and aromatic aldehydes under solvent-free conditions in good to excellent yields and short reaction times using reusable silica supported poly phosphoric acid (PPA–SiO2) as heterogeneous acid catalyst has been investigated.
PPA-SiO2 as a Heterogeneous Catalyst for Efficient Synthesis of 2-Substituted-1,2,3,4-tetrahydro-4-quinazolinones under Solvent-free Conditions
:
B + <B: +( :Chiness Journal of Chemistry :27 :2009 :
:Silica-supported polyphosphoric acid (PPA-SiO2) catalyzed
efficiently the reaction of anthranilamide with aryl aldehydes or ketones under solvent-free conditions to afford the corresponding 1,2,3,4-tetrahydro-4-quinazolinone derivatives. This work consistently has the advantages of excellent yields, short reaction time, simple experimental and work-up procedures. The heterogeneous catalyst could be recovered and recycled for several times without any loss of its activity.
46
Synthesis of New and Novel N-Protected 1-Aminoalkyl-2-naphthol Derivatives
:
f3* H <3 gV '<B: +( :Synthetic Communications :39 :2009 :
:A series of three-component reactions has been carried out using
HClO4-SiO2 as a versatile heterogeneous catalyst. A series of new and novel N-protected 1-aminoalkyl-2-naphthol derivatives have been prepared under thermal solvent-free reaction conditions. In all cases, the reaction conditions were very simple and high-yielding.
Zinc Hydrogensulfate as an Efficient Catalyst for Preparation of β-Amino Carbonyl Compounds
:
<B: +( <3 gV :Chiness Journal of Chemistry :27 :2009 :
:A one-pot and efficient three-component condensation of
benzaldehyde derivatives, enolizable ketones or ketoesters, acetyl chloride, and acetonitrile or benzonitrile under ambient conditions in the presence of zinc hydrogensulfate for the synthesis of β-amido carbonyl compounds is described. The simple experimental procedure, high to excellent yields of products and preparation of diastereoselective β-acetamido ketoesters are strong features of the presented method.
47
Preparation and Application of Perchloric Acid Supported on Alumina (Al2O3-HClO4) to the Synthesis of α-(α-Amidobenzyl ) -β-naphthols
:
f3* H @ 1B@X '= 0MI '<B: +( :Chiness Journal of Chemistry :27 :2009 :
:Preparation of perchloric acid supported on alumina and its primary
application as a solid supported heterogeneous catalyst to the synthesis of α-(α-amidobenzyl)-β-naphthols by a one-pot, three-component condensation of benzaldehydes, β-naphthol and acetamide or benzamide under thermal solvent-free conditions were described. The present methodology offers several advantages such as simple procedure, shorter reaction time, and excellent yields.
PPA-SiO2 Catalyzed Multi-component Synthesis of N-[α-(β-Hydroxy-α-naphthyl)(benzyl)] O-Alkyl Carbamate Derivatives
:
f3* H <3 gV '<B: +( :Chiness Journal of Chemistry :27 :2009 :
:Silica-supported polyphosphoric acid (PPA-SiO2) was found to be
an efficient catalyst for the multi-component condensation reaction of benzaldehydes, 2-naphthol, and methyl/benzyl carbamate to afford the corresponding N-[α-(β-hydroxy-α-naphthyl)(benzyl)] O-alkyl carbamate derivatives in good to excellent yields. This new approach consistently has the advantage of short reaction time, high conversions, clean reaction profiles, and simple experimental and work-up procedures
48
Uncatalyzed, One-pot Synthesis of 3,3'-(Benzylene)- bis(4-hydroxy-2H-chromen-2-one) Derivatives under Thermal Solvent-free Conditions
:
<B: +( 33! h :Chiness Journal of Chemistry :27 :2009 :
:A series of 3,3'-(benzylene)bis(4-hydroxy-2H-chromen-2-one)
derivatives have been synthesized from condensation reactions of 4-hydroxycoumarin with benzaldehydes under thermal solvent-free conditions. This environmentally friendly synthesis is uncatalyzed and affords the desired products in excellent yields.
Al(HSO4)3 and Al2O3-SO3H as Efficient Catalysts for Modified Preparation of 3,4-Dihydropyrimidin-2 (1H)-ones/thiones
:
(iB? = 0MI 'f3* H '<3 gV '<B: +( :Phosphorus, Sulfur, and Silicon :184 :209 :
:An environmentally friendly procedure for the preparation of
dihydropyrimidinone derivatives or their sulfur analogues under thermal solvent-free conditions in the presence of aluminium hydrogen sulfate [Al(HSO4)3] and alumina sulfuric acid (Al2O3-SO3H) as heterogeneous catalysts was developed.
4G
magnesium hydrogensulfate [mg(hso4)2] as an efficient catalyst for the preparation of silyl ethers, dibenzo[a,j] xanthenes, and octahydroxanthene derivatives
:
f3* H = 0MI ',/ j& 0+( '<B: +( :Phosphorus, Sulfur, and Silicon :185 :209 :
:Magnesium hydrogensulfate [Mg(HSO4)2], as a heterogeneous solid
acid catalyst, has been used for the mild formation of trimethylsilyl (TMS) ethers from various primary, secondary, and tertiary aliphatic alcohols; aromatic alcohols; and oximes using hexamethyldisilazane (HMDS) under ambient conditions. In addition, 14-aryl-14H-dibenzo[a,j]xanthenes and 1,8- dioxo-octahydroxanthene derivatives were synthesized in the presence of Mg(HSO4)2 with short reaction times in high to excellent yield under solvent-free conditions.
A Facile and Efficient Trimethylsilylation of Hydroxyl Groups Using Silica- Supported Zinc Chloride and Alumina-Supported Sodium Hydrogensulfate as Recyclable Heteroge -neous Catalysts
:
f3* H = 0MI ' <3 gV '<B: +( :Phosphorus, Sulfur, and Silicon :184 :209 :
:Silica-supported zinc chloride (SiO2-ZnCl2) and novel alumina-
supported sodium hydrogensulfate (NaHSO4-Al2O3) as recyclable heterogeneous catalysts have been used for the mild trimethylsilylation of hydroxyl groups under ambient conditions. This procedure also allows for the selective protection of primary and secondary alcohols in the presence of tertiary alcohols.
4
Ferric Hydrogen Sulfate as an Efficient Heterogeneous Catalyst for Environmentally Friendly Greener Synthesis of 1,8-Dioxo-Octahydroxanthenes
:
f3* H <3 gV '<B: +( :Turk J Chem :33 :2009 :
:Ferric hydrogen sulfate was used as an environmentally friendly
heterogeneous acidic catalyst for the greener, 1-pot, 3-component synthesis of 1,8-dioxo-octahydroxanthene via condensation reactions between aromatic aldehydes and dimedone under solvent-free thermal and icrowave irradiation as well as in aqueous media conditions in short periods of times with excellent yields. The catalyst was easily separated in simple work-up and was recycled several times without loss of reactivity under the described reaction conditions.
One-pot synthesis of amidoalkyl naphthols using NaHSO4. SiO2 as an efficient and recyclable heterogeneous catalyst
:
f3* H ,/(B 2 '<B: +( :Turk J Chem :33 :2009 :
:An efficient synthesis of amidoalkyl naphthols using silica supported
sodium hydrogen sulphate as heterogeneous catalyst under a thermal solvent-free green procedure is described. This simple protocol offer advantages such as shorter reaction times, simple work-up, excellent yield, and recovery and reusability of the catalyst.
4
Reusable silica supported poly phosphoric acid catalyzed three-component synthesis of 2H-indazolo[2,1-b]phthalazine-trione derivatives
:
f3* H <3 gV '<B: +( :Arkivoc :ii :2009 :
:An efficient synthesis of 2H-indazolo[2,1-b]phthalazine-
1,6,11(13H)-trione derivatives from the three-component condensation reaction of phthalhydrazide, dimedone, and aromatic aldehydes under solvent-free conditions in good to excellent yields and short reaction times using reusable silica supported poly phosphoric acid (PPA–SiO2) as heterogeneous acid catalyst has been investigated.
An Efficient Synthesis of Multi-Substituted 3,4-Dihydrop yrimidin-2(1H)- ones/thiones Under Solvent-Free Microwave Irradiation Using Alumina Sulfuric Acid
:
f3* H = 0MI ' <3 gV '<B: +( :Phosphorus, Sulfur, and Silicon :184 :209 :
:A new and efficient method for the synthesis of multi-substituted
dihydropyrimidinone derivatives or their sulfur analogs has been developed under solvent-free microwave irradiation conditions in the presence of alumina sulfuric acid (Al2O3- SO3H) as an environmentally friendly heterogeneous recyclable catalyst, in high yields and short reaction time
4
Environmentally Friendly Preparation of 3,4-Dihydropyrimidin -2(1H)- thiones Catalyzed by Al(H2PO4)3
:
f3* H <3 gV '<B: +( :Phosphorus, Sulfur, and Silicon :184 :209 :
:An efficient, facile, simple, and green synthetic protocol for the
Biginelli reaction has been developed for the preparation of 3,4-dihydropyrimidin-2(1H)-thione derivatives under thermal and microwave irradiation, solvent-free conditions, in the presence of aluminum hydrogen phosphate, Al(H2PO4)3, as an environmentally friendly heterogeneous recyclable catalyst, in high to excellent yields and short reaction time. In addition, the catalyst could be easily recovered from the reaction mixture by simple filtration and reused several times without any loss of activity.
Preparation of heterocyclic containing phthalazine skeletons: 2Hindazolo[ 2,1-b]phthalazine-1,6,11(13H)-triones
:
f3* H ,/ j& 0+( '@ 1B@X '= 0MI '<B: +( :Journal of the Iranian Chemical Research :2 :2009 :
:A new protocol for the preparation of 2H-indazolo[2,1-
b]phthalazine-1,6,11(13H)-trione derivatives a class of biologically active compounds with pharmaceutical properties using Mg(HSO4)2 as heterogeneous acid catalyst under solvent-free conditions with short reaction times and in high to excellent yields was described.
4.
Separation of zinc from aqueous samples using a molecular imprinting technique
:
H '\k? - '0O= #$%! 2 :International Journal of Environmental Analytical Chemistry :Vol [l No KQ :2009 :
:In this article, the separation of zinc from aqueous samples by solid-
phase extraction based on a molecular imprinting technique is described. Zn-imprinted polymer was prepared by free radical solution polymerisation in a glass tube containing ZnSO4, morin, 4-vinylpyridine as a functional monomer, ethyleneglycoldimethacrylate as a cross-linking monomer, and 2,2-azobisisobutyronitrile as an initiator. The obtained polymer block was ground and sieved (55–75 mm) and the Zn–morin complex was separated from polymer particles by leaching with 2M HCl. The synthesised polymer particles have been characterised by IR and differential scanning calorimetric studies either before or after leaching. The effects of different parameters, such as pH, adsorption and desorption time, type and minimum amount of the eluent for elution of the complex from polymer were evaluated. Extraction efficiency more than 99% was obtained by elution of the polymers with 10mL of CH2Cl2–dimethyl sulfoxide (1 : 1, v/v). The detection limit of the proposed method was 2.9 mgL_1. A dynamic linear range in the range of 25–200 mgL_1 was obtained. The relative standard deviation was found to be below 9.2%. In addition, the influence of various cationic and anionic interferences on the complex recovery was studied. The method was applied to the recovery and determination of Zn in a few different real samples.
44
Imprinted Polymer Particles for Iron Uptake: Synthesis, Characterization and Analytical Applications
:
H ! 2 '\k? - '0O= #$% :Polymer Science Series B :51 :2009 :
:This work reports the preparation of molecularly imprinted polymer
particles for selective extraction and determination of iron ions from aqueous media. The polymer particles were synthesized from Fe(NO3)3, morin, 4-vinylpyridine, ethyleneglycoldimethacrylate, and 2,2′-azobisisobutyronitrile and characterized by IR and DSC both prior to and after removing the Fe-morin complex by leaching with HCl. The effect of different parameters, such as pH, adsorption and desorption time, type and minimum amount of eluent for removing the complex from polymer was evaluated and optimized. The proposed method is characterized by the detection limit of 3.1 µg l−1 anddynamic linear range of 25 to 200 µg l−1,with the relative standard deviation less than 8.8%. The method was applied to the recovery and determination of iron ions in a few real samples.
Synthesis of 5-Arylamino-1H(2H)-tetrazoles and 5-Amino-1-aryl-1H-tetrazoles from Secondary Arylcyanamides in Glacial Acetic Acid: A Simple and Efficient Method
:
@ 09% / F9 &( + :Turk J Chem :QQ :JRRl :
:A simple and efficient method for preparation of 5-arylamino-1H
(2H)-tetrazoles (3a-i) and 5-amino-1-ary-1H-tetrazoles (4a-i) from secondary arylcyanamides (1a-i) at room temperature in glacial acetic acid are described with excellent yields and high purity. Tautomers 3 were separated from Tautomers 4 by crystallization in ethanol. A mechanism is introduced in glacial acetic acid. The ratio of isomers is described based on
55
the electronic and steric effects of various substituents. Electron withdrawing group (-NO2) increased ratio of 4/3. The rate of product formation was enhanced by introduction of electron donating substituents. The 1H NMR and 13C NMR chemical shifts and multiplicities are also discussed.
Dynamic 1H NMR Spectroscopic Study of the Ring Inversion in N-Sulfonyl Morpholines-Studies on N-S Interactions
:
9 'F9 &( +',cBc @ <A +( ',* O! Erich Kleinpeter
:
The Journal of Organic Chemistry :me :JRRl :
:The effect of the exocyclic conjugation, via d-p orbital interaction
and/or negative hyperconjugation (anomeric effect) of the N-S bond, on the inversion of the morpholine ring in some N-arylsulfonyl morpholines is studied by variable temperature 1H NMR spectroscopy in different solvents. The observed free energy barriers are 9.2-10.3 kcal mol-1; the lower values were obtained with increasing conjugation (substituents of higher electron withdrawing power) along the series. The barrier to ring inversion of 1e was solvent independent. X-ray data of compounds 1b, d reveal the chair conformation of the six-membered ring, the flattened pyramidal orientation of the ring nitrogen atom and the sulfonyl group in equatorial position with the plane containing Caryl-S-N bond perpendicular to the plane of the benzene ring. In addition, the sulfonamide group prefers a conformation with the S-C bond antiperiplanar with respect to the nitrogen atom lone pair and the –CH2-N-CH2- moieties in staggered conformation with the S-O bonds of the SO2 group.
56
Highly stereoselective construction of functionalized cyclopropanes from the reaction between acetylenic esters and C-H acids in the presence of triphenylarsine
:
',+ 09( 'E* 1&( @I ',( +( '"" #$% '9% !: ; ', F&* '@ 1&( 2/ ',9 "1HAlexandre Sobolev
Mohamed Makha
:
Tetrahedron Letters :SR :JRRl :
:A one-pot triphenylarsine-catalyzed synthesis of trans-cyclopropane
derivatives is achieved by means of the reaction between acetylenic esters and C–H acids in the presence of triphenylarsine. This procedure is simple and proceeds under mild reaction conditions. Its success depends on the choice of solvent, temperature and C–H acid used.
Synthesis of Aromatic Amine Phosphonato Ester Derivatives from the Stereoselective Reaction Between Triphenyl Phosphite and Dimethyl Acetylenedicarboxylate in the Presence of Derivatives of Aromatic Amines
:
',% / '"" #$% & ',+ 09( ',( +( '9% !: ;V O '@ F&* <OB * !@ @ n9
:
Heteroatom Chemistry :Vol JR No e :JRRl :
:Aromatic amine phosphonato esters 4a–d were obtained in excellent
yields from the 1:1:1 addition reaction between triphenyl phosphite and dimethyl acetylenedicarboxylate in the presence of NH-aromatic amines such as 2-aminobenzophenone, 2-aminoacetophenon, methyl-2-aminobenzoate, and 2-aminobenzonitrile. In the recent works, the assignments of the configuration of 4a–d corresponding to the three-bond carbon-phosphorus coupling, 3 J pc, was determined on the basis of coupling constants by the Karplus equation as 2R∗ ∗ ∗ ∗,3R or 2S ,3S while
57
they were 2R∗ ∗ ∗ ∗,3S or 2S ,3R in our previous works in the presence of same solvent.
An Efficient Synthesis of α -Amino Phosphonates Using Silica Sulfuric Acid As a Heterogeneous Catalyst
:
H& & '@ 1&( 2/ ',+ 09( '"" #$% '9% !: ;9 <B ! !@ '= ,H&
:
Heteroatom Chemistry :Vol JR No S :JRRl :
Diastereoselective Synthesis of γ -Dispiroiminolactone Bearing Naphthalene of Bipyridine Pendant Groups
:
'"" #$% ',+ 09( '9% !: ; ', F&* '3B9 C+ DE 'E* 1&( @I '! 0 ) ' ( <3= :=Alexander Sobolev
Mohamed Makha
:
Journal of Heterocyclic Chemistry : :
JRRl :
:ChemInform is a weekly Abstracting Service, delivering concise
information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option
58
A Facile Synthesis of Stable Phosphorus Ylides Containing Chlorine and Sulfur Derived from 6-Chloro-2-benzoxazolethiol and 2-Chloro-phenothiazine
:
/ ' ,/ ,! '"" #$% ',+ 09( '9% !: ; ,% c/9V O
:
Phosphorus, Sulfur, and Silicon :K[e :JRRl :
:Stable crystalline phosphorus ylides containing chlorine and sulfur
were obtained in excellent yields from the 1:1:1 addition reaction between triphenylphosphine and dialkyl acetylene-dicarboxylates in the presence of 6-chloro-2-benzoxazolethiol and 2-chloro-phenothiazine. These stable ylides exist in solution as a mixture of two geometrical isomers. This is caused by the conjugation of the ylide moiety with the adjacent carbonyl group, which results in a restricted rotation around the respective carbon-carbon bond.
A facile synthesis of diastereoisomeric stable 1,4-diionic and also phosphorus ylides compounds contaning sulfur through the reaction between 1,3-dicarbonyl compounds with activated acetylenic esters in the presence of triphenylphosphine
:
03& 'c/9V O ',% / '"" #$% ',( +( '9% !: ;<>? 2/ () BN
:
Iranina Journal of Organic Chemistry :J :JRRl :
:Tautomerization in selenepin (1) benzenea double dagger OE
selenide (2) binary system is found to favor, 2, at HF, MP2, and B3LYP levels, using 6-311G* basis set. Electronic effects appear to have small effects on 1a double dagger OE 2 equilibria and show little impact on the conformational ring inversions of 1, at the same levels. In contrast, steric effects effectively decrease a dagger H values in an order inversely
5G
proportional to the size of the substituents employed (Me >Et > i-Pr). A possible Se extrusion is suggested to be the main reason why no 2 has ever been detected experimentally.
Diimine Platinum(II) and Palladium(II) Complexes of Dithiocarbamate Derivative as Potential Antitumor Agents: Synthesis, Characterization, Cytotoxicity, and Detail DNA-Binding Studies
:
' ',cE ,(%3 2 ,("V (&B :Journal of Biomolecular Structure & Dynamics :Vol JZ No S :JRRl :
:The synthesis and chemical characterization of two structurally
related platinum(II) and palladium(II) complexes, [M(2,2'-bipyridine) (morpholinedithiocarbamate)]NO(3) or [M(bpy)(mor-dtc)]NO(3), where M = Pt(II) or Pd(II), are described. Studies of anti-tumor activities of these complexes against human cell tumor lines (K(562)) have been carried out. They show 50% cytotoxic concentration (Cc(50)) values much lower than that of cisplatin. Both of these water soluble complexes have been shown to interact with calf thymus DNA (ct-DNA) using difference absorption-, fluorescence-, and circular dichroism-titration techniques. These studies showed that both complexes exhibit cooperative binding and presumably intercalate in DNA. These complexes unexpectedly denature DNA at very low concentrations (50-100 microM). Several binding and thermodynamic parameters are also described.
5
Comparative Studies on the Interaction Between Bovine β -lacto-globulin Type A and B and a New Designed Pd(II) Complex with Anti-tumor Activity at Different Temperatures
:
' N& 0"/ ',cE ,(%3 2 ',("V "? '(&B oFaizan Ahmad Golam Hossein Hakimelahi
:
Journal of Biomolecular Structure & Dynamics :Vol JZ No S :JRRl :
:An new water-soluble Pd(II) complex, 2,2'-bipyridin n-butyl
dithiocarbamato Pd(II) nitrate has been synthesized. The Pd(II) complex has been characterized by elemental analysis and conductivity measurements as well as spectroscopic methods such as infrared, 1H NMR, and ultraviolet-visible. The interaction between this new design Pd(II)-complex, an anti-tumor component, with carrier proteins of β-lactoglobulin-A and -B (BLG-A and -B) were studied at different temperatures of 27, 37, 42, and 47 °C by fluorescence spectroscopy and far-UV circular dichroism (CD) spectrophotometric techniques. A strong fluorescence quenching interaction of Pd(II) complex with BLG-A and -B was observed at different temperatures. The binding parameters were evaluated by fluorescence quenching method. The thermodynamic parameters, including ∆H°, ∆S°, and ∆G° were calculated by fluorescence quenching method indicated that the electrostatic and hydrophobic forces might play a major role in the interactions of Pd(II) complex with BLG-A and -B, respectively. The distances between donors (Trps of the BLG-A and -B) and acceptor (Pd(II) complex) were obtained according to the fluorescence resonance energy transfer (FRET). Far-UV CD studies showed that the Pd(II) complex did not represent any significant changes in the secondary structures of BLG-A and -B. The difference in the interaction properties observed for BLG-A and -B with Pd(II) complex is related to the difference in the amino acid sequences between these two variants.
5
A Thermodynamic Study of New Designed Complex of Ethylendiamine 8-Hydroxyquinolinato Palladium(II) Chloride with Calf Thymus DNA
:
+( ',cE ,(%3 2 'I-&,("V (&B ' "M B :Bull.Korean Chem. Soc :Vol QR No l :JRRl :
:A Thermodynamic study on the interaction of bovine calf thymus
DNA with new designed Pd(II) complex (Ethylendiamine- 8-hydroxyquinolinato Palladium(II) chloride) was studied by using isothermal titration calorimetry (ITC) at 27 oC in Tris buffer solution at pH = 7.5. The enthalpies of Pd(II) complex + DNA interaction are reported and analysed in terms of the new solvation theory. It was indicated that there are three identical and non-cooperative sites for Pd(II) complex. The binding of a Pd(II) complex is endothermic with association equilibrium constants of 428.03 mM-1 at 27 oC. The binding of Pd(II) complex can cause some changes in the stability of the DNA at low and high Pd(II) complex concentrations. Our results suggested that this complex might interact with DNA as an intercalator, thus interfering with DNA replication and cell proliferation.
Investigation on the Interaction of Newly Designed Anticancer Pd(II) Complexes with Different Aliphatic Tails and Human Serum Albumin
:
"1H ,cE ,(%3 2 ',("V "? ',* O/ '(&B 09
:
J. Phys. Chem. B :KKQ :JRRl :
:The pharmacokinetics and pharmacodynamics of any drug will
depend, largely, on the interaction that it has with human serum albumin (HSA), the most abundant plasma protein. The interaction between newly synthesized Pd(II) complexes, 2,2'-bipyridin octyl dithiocarbamato Pd(II)
5
nitrate (Octpd), 2,2'-bipyridin butyl dithiocarbamato Pd(II) nitrate (ButPd), 2,2'-bipyridin ethyl dithiocarbamato Pd(II) nitrate (EtPd), antitumor components, with human serum albumin, a carrier protein, were studied at different temperatures of 27 and 37 degrees C by fluorescence spectroscopy, far UV circular dichroism (CD), and spectrophotometric and differential scanning calorimetry (DSC) techniques. By the analysis of fluorescence intensity, it was observed that Pd(II) complexes have strong abilities to quench the intrinsic fluorescence of HSA through a dynamic quenching procedure. The binding parameters were evaluated by the fluorescence quenching method. The thermodynamic parameters, including DeltaH degrees , DeltaS degrees , and DeltaG degrees , were calculated by the fluorescence quenching method and indicated that hydrophobic forces play a major role in the interaction of Pd(II) complexes with HSA. Far-UV-CD results represented that Pd(II) complexes induced a decrease in content of the alpha helical structure of protein. The binding of newly designed drugs (Pd(II) complexes) on the blood carrier protein of HSA resulted in significant alterations on the structure and conformation of protein via decreasing stability of HSA by decreasing the T(m), a red shift in maximum fluorescence intensity, a decrease in content of the alpha-helical structure, and the increase of the nonpolar or accessible hydrophobic surface of HSA to solvent.
Hydrogen Bonding in Acetylacetaldehyde: Theoretical Insights from the Theory of Atoms in Molecules
:
',@( +A.F.Jalbout '*V '<= ' ( 2 'A.DE Leon \(
:
International Journal of Quantum Chemistry :KRl :JRRl :
:All the possible conformations of tautomeric structures (keto and
enol) of acetylacetaldehyde (AAD) were fully optimized at HF, B3LYP, and MP2 levels with 6-31G(d,p) and 6-311++G(d,p) basis sets to determine the conformational equilibrium. Theoretical results show that two chelated enol forms have extra stability with respect to the other conformers, but identification of global minimum is very difficult. The high level ab initio calculations G2(MP2) and CBS-QB3) also support the HF conclusion. It
5.
seems that the chelated enol forms have equal stability, and the energy gap between them is probably lies in the computational error range. Finally, the analysis of hydrogen bond in these molecules by quantum theory of atoms in molecules (AIM) and natural bond orbital (NBO) methods fairly support the ab initio results.
Molecular Structure and Vibrational Assignment of α -Chloro Acetylacetone: A Density Functional Theory Study
:
A.F.Jalbout 'DI ',V ' ,@( + 'B+( '\(A.DE Leon :International Journal of Quantum Chemistry :KRl :JRRl :
:Molecular structure of magnesium bis-acetylacetonate, Mg(acac)2,
has been investigated by means of ab initio and density functional theory (DFT) calculations and the results were compared with its gas-phase electron diffraction data. For comparison, the structure of Mg(acac)2 was also optimized at the MP2 level using the 6-31G* basis set. The harmonic vibrational frequencies of Mg(acac)2 were obtained at a variety of density functional theory levels using the 6-31G*, 6-311G*, 6-311++G**, and lanL2DZ basis sets. The vibrational frequencies 2,4-13C and 2-13C derivatives of Mg(acac)2 were also calculated at the B3LYP/6-311++G** level. The calculated frequencies are compared with the experimental Fourier transform IR and Raman spectra. All of the measured IR and Raman bands were interpreted in terms of the calculated vibrational modes. The scaled theoretical frequencies and the structural parameters are in excellent agreement with the experimental data. Analysis of the vibrational spectra indicates a strong coupling between the chelated ring modes. Four bands at the 1021, 664, 569, and 414 cm−1 are found to be mainly due to the metal oxygen stretching motions. The very strong Raman band at 414 cm−1 is assigned to the totally symmetric Mg O stretching mode. The corresponding band in beryllium bis-acetylacetonate, Be(acac)2, appears at a considerably higher frequency (480 cm−1). This frequency difference is consistent with their different stability constants.
54
Confprmational and Tautomeric Preferences in 3-Aminoacrylaldehyde: A Theoretical Study
:
V LV/ ' " 2/ ' ( 2 ',@( +\( ( * :International Journal of Quantum Chemistry :KRl :JRRl :
:The conformational study of 3-aminoacrylaldehyde were performed
at various theoretical levels and the equilibrium conformations were determined. Furthermore, to have more reliable energies, the total energies of all forms recomputed at G2MP2 and CBS-QB3. Theoretical calculations clearly show that the intramolecular hydrogen bond (IHB) is the origin of conformational preference and the resultant IHB order at HF/6-311++G(d,p), MP2/6-311++G(d,p), and CBS-QB3 levels is different from the order which obtained from the B3LYP/6-311++G(d,p), G2MP2, the geometrical parameters, AIM, and NBO analyses. Furthermore, our theoretical results reveal that the ketoamine (KA) tautomeric group is more stable than the enolimine (EI) and ketoimine (KI) ones. The IHB and tautomeric process could not rationalize the irregular stability of KA group with respect the others. But the population analyses of the possible conformations by NBO predict that the π-electron delocalization, especially unusual π → π charge transfer, is the origin of tautomeric preference.
The Competition Between the Intramolecular Hydrogen Bond and π -Electron Delocalization in Trifluoroacetylacetone__A Theoretical Study
:
" 2/ *V LV/ ' ( 2 ',@( + :International Journal of Quantum Chemistry :KRl :JRRl :
:Conformational study of trifluoroacetylacetone was carried out using
the HF, B3LYP, and MP2 methods with the 6-31G(d, p) and 6-311++G(d, p) basis sets. All of the results show that the chelated enol structures (E11 and E31) have extra stability with respect to the other forms and one of
65
them (E11) is global minimum. The energy gap between the chelated forms is in the range 0.7–5.9 kJ mol−1. Theoretical calculations show that this compound has an asymmetric double minimum potential energy surface which is in contrast with the electron diffraction result. Moreover, the computational results predict that due to the withdrawing effect of CF3 group, hydrogen bond in trifluoroacetylacetone is weaker than the acetylacetone. Because of the more stability of E11, it is expected that the hydrogen bond energy in E11 is greater than the E31, but at all of the computational levels with most extended basis set the converse results were observed. These results clearly show that the hydrogen bond is not a superior parameter in conformational preference and the contribution of resonance is probably greater than the hydrogen bond. Finally, the analysis of this system by quantum theory of atoms in molecules and natural bond orbital methods fairly support the ab initio results.
Investigation of a new electrochemical cyanide sensor based on Ag nanoparticles embedded in a three-dimensional sol-gel
:
W$ &= <A I ,@( FU ',!: (p :Journal of Electroanalytical Chemistry :ZJ[ :JRRl :
:In this study, a novel sensor for cyanide detection was developed by
self-assembling of a sol–gel network and silver nanoparticles. Silver doped silica nanocomposite was synthesized via a sol–gel technique combined with a nanoparticle preparing method. Then a cleaned gold electrode (GE) was immersed in a hydrolyzed mercaptopropyltrimethoxysilane (MPS) sol–gel solution containing Ag nanoparticles (AgNPs) to assemble three-dimensional silica gel. Thus, modified electrode (GE/sol–gel/AgNPs) was prepared to detect cyanide based on the specific reaction of Ag nanoparticle and CN−. The size of Ag nanoparticles and silica pores was examined by atomic force microscopy (AFM) around 34.5 nm and 91.3 nm, respectively. The performance and factors influencing the performance of the resulting sensor were studied in detail. The detection limit of the sensor was 1.4 × 10−8 mol L−1, and the linear range was from 1.5 × 10−6 mol L−1 to 2.1 × 10−4 mol L−1. And also, common contaminants at levels presenting in industrial waste water did not interfere with the assay. Moreover, the studied
66
sensor exhibited high sensitivity, good reproducibility, and long-term stability.
Cyanisde uptake from wastewater by modified natrolite zeolite-iron oxyhydroxide system: Application of isotherm and kinetic models
:
I @ B) W$ &= <A 'I ,@( FU :Journal of Hazardous Materials :KZZ :JRRl :
:A method for the removal of cyanides from wastewater is described.
The method involves the adsorption of cyanides by a modified natural zeolite (natrolite) using batch technique. A new iron oxyhydroxide–natrolite system was used in this study. A combination of XRD, XRF and FTIR spectroscopies, as well as TG/DSC thermal analyses was used for characterization of zeolitic materials. Effects of parameters such as pH, amount of adsorbent and contact time on the cyanide removing yield are studied. It was observed that the yield increases by increasing dosage of adsorbent and contact time at a fixed pH 7.5. A yield of 82% was achieved at optimum conditions for removing cyanide from industrial wastewaters. The experimental data obtained for optimum conditions were selected for modeling the adsorption behavior of the materials using six isotherm equations (Freundlich, Langmuir, Langmuir–Freundlich, Dubinin–Radushkevich, Redlich–Peterson and Toth). The obtained modeling results indicated that, although the three-parameter models, taking into account the surface heterogeneity, provided the closest approach to the measurement data, the parameters estimates could be highly biased. The kinetic studies proved that the second-order kinetic was the applicable model.
67
Indirect Determination of Cyanide by FIA-FAAS Using Ag3PO4-Packed Column. Suppression of Phosphate Interference in FAAS Determination of Silver
:
,!: (p W$ &= <A 'I ,@( FU :Chem. Anal. (Warsaw) :Se :JRRl :
:A new, simple and single-line flow injection system procedure for
indirect determination of cyanide has been developed. The method was based on the insertion of aqueous cyanide solutions into an online silver phosphate packed column (15% m/m suspended on silica gel beads). The carrier stream was an alkaline solution containing 0.02 mol L-1 calcium ions as the releasing agent. The eluate contained silver cyanide complexes as the analyte: they were produced in the reaction between silver phosphate and cyanide and measured by flame atomic absorption spectrometry. The absorbance was proportional to the concentration of cyanide in the sample. Under optimum conditions, the linear range. detection limit and sampling rate of up to 18 mg L-1, 0.04 mg L-1 and 220 h-1, respectively, were obtained. The method is suitable for determination of cyanide in industrial waste waters with a relative standard deviation better than 1.07%.
Damped and Sub-damped Lyman-α absorbers in zf 4 SOs :R.Guimaraes, P.Petitjean, R.R.de Carvalho, S.G.Djorgovski, P.Notredaeme, S.Castro, P.C.da R. Poppe , !" #
:
Astronomy & Astrophysics :508 :2009 :
:We present the results of a survey for damped (DLA, log N(H I) >
20.3) and sub-damped Lyman-? systems (19.5 < log N(H I) < 20.3) at z > 2.55 along the lines-of-sight to 77 quasars with emission redshifts in the range 4 < zem < 6.3. Intermediate resolution (R ? 4300) spectra have been obtained with the Echellette Spectrograph and Imager (ESI) mounted on the Keck telescope. A total of 100 systems with log N(H I) > 19.5 are detected of which 40 systems are damped Lyman-? systems for an absorption length of ?X = 378. About half of the lines of sight of this homogeneous survey have never been investigated for DLAs. We study the evolution with redshift of the cosmological density of the neutral gas and ?nd, consis- tently with previous studies at similar resolution, that ?DLA,H I decreases at z > 3.5. The overall cosmological evolution of ?HI shows a peak around this redshift. The H I column density distribution for log N(H I) ? 20.3 is ?tted, consistently with previous surveys, with a single power-law of index ? ? -1.8$\pm$0.25. This power-law overpredicts data at the high-end and a second, much steeper, power-law (or a gamma function) is needed. There is a ?attening of the function at lower H I column densities with an index of ? ? ?1.4 for the column density range log N(H I) = 19.5?21. The fraction of H I mass in sub-DLAs is of the order of 30%. The H column density distribution does not evolve strongly from z ? 2.5 to z ? 4.5.
Influence of laser pulse characteristics on the hot electron contribution to the third-order nonlinear optical response of gold nanoparticles
:
Yannick Guillet$%& '( ) $Bruno Palpant :Physical Review B :79 :2009 :
:The third-order nonlinear optical response of noble-metal
nanoparticles embedded in a dielectric matrix depends on the particle intrinsic third-order susceptibility χm(3). We propose a model which allows one to calculate the hot electron contribution χhe
(3) to χm(3) in the case of gold. This phenomenon stems from the modification of the conduction-electron distribution induced by an optical excitation, and is significant when picosecond or subpicosecond laser pulses are considered. We show, in the case of a weak perturbation, the importance of the athermal regime for pulse widths lower than about 1 ps. Applying this model to two different samples, we then highlight the strong influence of the linear optical properties of the material on the spectral dispersion of χhe
(3). Finally, the variation in χhe
(3) with intensity in the high excitation regime is discussed for picosecond pulses.
A new extracted Flavonol glycoside from the root of the " Euphorbia condylocarpa" and investigation of its antioxidant properties using FRAP and DPPH methods
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Comparison of subunit exchange of α A-crystallin and its chaperone action in crowded system
:
=CDE &/ :33rd FEBS Congress and 11th IUBMB Conference :Athens, Greece :28June-3July 2008 :
:α-Crystallin, a member of small heat shock protein (sHsp) family, is
comprised of αA and αB subunits and acts as a molecular chaperone by interacting with unfolding proteins to prevent their aggregation. The αAcrystallin homopolymer consists of 30-40 subunits that are undergoing dynamic exchange. α-Crystallin and αA-crystallin are poorer chaperones in the presence of the crowding agent, dextran. Using fluorescence resonance energy transfer, it is shown that the αAcrystallin subunit exchange rate strongly increased with temperature. Binding of reduced ovotransferrin to αA-crystallin markedly decreases the rate of subunit exchange, as does the presence of dextran. In addition, in the presence of dextran the effect of reduced ovotransferrin on decreasing the rate of subunit exchange of αA-crystallin is stronger than in the absence ofdextran. Under the conditions of molecular crowding, the αA-crystallin subunit exchange rate is not temperature-dependent. The exchange rate of αA-crystallin subunits correlates with its chaperone efficiency i.e. the variation in chaperone ability of αA-crystallin increases with temperature. However, in the presence of dextran the temperature dependence of the chaperone action of αA-crystallin is eliminated.
y
The effect of crowding agent on the rate of aggregation of denatured α -lactalbumin
:
=CDE &/ :11th International Congress on Amino Acids, Peptides and Proteins
:
? :3-7 August 2009 :
:The structurally destabilized protein can aggregate and precipitate
out of solution. The sHsp protein, α-crystallin, acts as a molecular chaperone stabilizing target proteins under stress conditions through the formation of a soluble complex. In this study, the effects of α-crystallin during its interaction with structurally destabilized α-lactalbumin, in the presence of the macromolecular crowding agent, dextran, have been examined. The interaction between the proteins was investigated by visible absorption spectroscopy, intrinsic fluorescence spectroscopy, ANS fluorescence binding and 1H NMR spectroscopy. In the presence of dextran, the rate and extent of aggregation of target protein was enhanced. α-Crystallin prevented aggregation of target protein but not as well as in the absence of dextran. It is proposed that a dextran-induced changes to protein conformation and α-crystallin was less effective in preventing the aggregation and precipitation of target proteins.
Amyloid fibril formation of α-lactalbumin in crowded system and its preventing by α-casein
:
&P L% =CDE &/ (B $# :#@ ##@ % ,#@ +2 ,#" ##@ +2 ,#%" H% :
3D? :4t % 49&/ 7899 :
:α-Lactalbumin is a milk protein containing four disulphide bonds,
which adopts a partially folded conformation under denaturing conditions. It can form fibrils under the conditions of low pH or by partial disulfide reduction at neutral pH. At these conditions, α-lactalbumin forms the so-called ‘A’ state with characteristics of a molten globule state (i.e. most of
yy
the secondary structure is in place but little tertiary structure is present), which makes it prone to amyloid fibril formation. In this study, we have compared the kinetics of the fibril formation of destabilized α-lactalbumin and its prevention by molecular chaperone, α-casein, in the presence and absence of dextran (68 kDa) as a macromolecular crowding agent by thioflavin T binding assay, visible absorption and near CD spectroscopy. An increase in the thioflavin T fluorescence intensity upon the addition of dextran reveals that the rate and extent of amyloid formation were significantly increased. Dextran caused structural change in α -lactalbumin, which was supported by CD spectroscopy. However, the effect of α-casein in preventing fibril formation was significant, although reduced in comparison with the absence of crowding. Thus, kinetics factor may be disappeared, some were over expressed and some were under expressed. The results showed that the expression of ANXC4 can affect the expression of some of proteins participating in different functions in Aspergillus fumigatus. Utilization of mass spectrometry can reveal the exact role of each protein in important cell functions.
Aggregation of denatured β-Lactoglobulin at different PH and the effect of α-crystallin to prevent it
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Investigation of amorphous aggregation of target proteins in the presence and absence of the molecular chaperone and the crowding agent
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A preliminary research on the serum associated proteins in human Psoriasis vulgaris
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3D? 3& W: :8IDO& 7899 :
:Psoriasis is a chronic inflammatory skin disease characterized by
anthological skin lesions due to various exogenous and endogenous factors and associated with a number of biochemical and immunological disturbances. Serum proteins take undergo some quality and quantity changes when the human body suffers pathological damage. Two-dimensional gel electrophoresis (2-DE), the principal step of proteomics, has proven to be a method for the separation and comparison of complex protein mixtures, for example, from disease and healthy states. The procedures utilized for the preparation of samples for 2-DE are critical to the collection of high-quality results. The main objective of this study is to compare the preparation methods of serum proteins for 2-DE, particularly those designed to improve the detection of proteins in low abundance in serum. In order to find the most efficient method for removing albumin, we compared four different methods included (1) TCA and (2) TCA/acetone precipitation, (3) fractionation with ammonium sulfate that followed with phenol/acetate for desalting and protein recovery and (4) Aurum Serum Protein Kit (Bio-Rad). Changes in major proteins of precipitate and supernatant in this methods were monitored by one and two-dimensional gel electrophoresis. Our study showed that TCA/acetone precipitation and ammonium sulfate fractionation have the same results with albumin removal kit in removing albumin and protein recovery. Comparison of 2-DE
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obtained from TCA/acetone precipitation of psoriasis patients with control cases, allowed us to identify differential expression of proteins. Those differences were observed in rang of pH about 4-6 and molecular weight of 32-40 kDa, respectively. Selected proteins will be characterized by mass spectrometry by the future works.
Proteomic analysis of periplasmic fraction of the soft-rot pathogen Pectobacterium chrysanthemi strain
:
&: 2 , :0#"M?: +2 ,#"3 :3D? 3& W: :
8IDO& 7899 :
:Soft-rot pathogens cause significant losses worldwide in fruit and
vegetable production during the growing season and after harvest. Pectobacterium chrysanthemi is a phytopathogenic entrobacterium responsible for the soft-rot disease. The virulence of P. chrysanthemi is strongly associated with the synthesis and secretion of exoenzymes, particularly pectinases and, to a lesser extent, cellulases and proteases. In this work, we present results of the first comprehensive proteomic analysis of the periplasm of P. chrysanthemi strain 3937, and its response to virulence-contributing factors such as host plant extract. We analyzed the periplasmic proteins, using two- dimensional electrophoresis and identified the proteins by analysis of mutants, western blotting and MALDI-TOF. Thirty four unique proteins were identified in this compartment, some of which were differentially expressed under the above condition. We found mostly proteins involved in active transport of substrates either identified, or predicated by sequence homology, or totally unknown. The inducible proteins are mainly involved in pectin catabolism or in iron assimilation.
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Cytokine Genese (IL-1, 1L-RA, IL-12, IFN-GAMMA) Polymorphism and Cervix Cancer Risk
:
(1 ,# ( ,2? / ( " $%O ( ? 2 !"&Sobti RC(Shekari M Huria A
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10-13 September 2009 :
In vitro Callus Induction and Regeneration studies in Withania coagulans: A Valuable Medicinal Plant
:
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Rapid clonal micropropagation of Withania coagulans an Critically Endangered medicinal Plant in Iran
:
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NMR study on protonated 80G:C base paris:DFT calculation :
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Synthesis and Characterization of a New Dimeric Iron(III) Octaethylporphyrin Complex with 1,4-Benzene Dicarboxylic Acid as Bridging Ligand
:
B`T. (J 6a. -'b cd R 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Design and construction of polynuclear complexes or multi-
dimensional coordination polymers with metal ions as nodes and bridged ligands as spacers have attracted chemist’s much attention in recent years for not only the attractive topological structures but also the potential applications in material chemistry [1]. The advantage of the metal-organic framework approach is to allow a wide choice of different parameters, including electronic properties and coordination geometry of the metal ions, as well as versatile functions and topologies of organic ligands [2]. Selection of appropriate multidentate ligand as spacers to link plural metal ions is a powerful way for the building of multidimensional frameworks. As spacers, terephthalic acid (H2ta) and its dianion have been used in the synthetic systems because they can exhibit as short bridges via one carboxylic group or long bridges via the benzene ring, leading abundant varieties of structures. On the other hand, the terminal ligand plays an important role to control the number of bridged ligand, with the respect that transition metal ions own their specifically coordination environment [3]. In the present paper, we chose a commonly used 1, 4-benzene dicarboxylic ligand as a linker, which proved to be a good ligand to form multidimensional coordination polymers with various topologies [4]. Iron (III) porphyrin was used to be coordinated with the organic ligand and therefore resulted in a novel coordination dimmer, [(OEPFe)2(CO2–C6H4–CO2)] (1) , where OEP is dianion of octethylporphyrin. This complex has been prepared by the reaction of the terephthalic acid with [OEPFeClO4] in dichloromethane. Then triethylamine (1 ml) was added to the mixture. The solution was stirred for 2 h, during this time the color of solution changes from red to dark brown. The brown solution was evaporated and the complex was isolated by ether diffusion in dichloromethane solution of complex. This complex has been characterized by IR, UV-vis, 1HNMR spectroscopes as well as elemental analysis. The molar conductance measurement for 1 in
h
dichloromethane solution indicates that [(OEPFe)2(CO2–C6H4–CO2)] is non-electrolyte.
Preparation of a New Dinuclear Iron(III) Octaethylporphyrin from 1,4 Diazobicyclo [2,2,2] octane as bridging ligand
:
B`T. (J 6a. -'b cd R 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:There has been an increasing interest in the study of covalently
linked bisporphyrins in view of their utility as models for the reaction centre complex of the photosynthetic system, as catalysts for H2O2 decomposition, mimicking certain enzyme functions and to evolve basic understanding for excitation energy and electron transfer reactions. The two porphyrin units linked through a single covalent linkage manifest in a multitude of conformers while bisporphyrins bearing more than one covalent linkage restrict the number of conformers that can be probed by different spectroscopies. The nature of the individual porphyrin units, the positions of the covalent attachment, the nature and the length of the linking groups play an important role in governing the properties of these porphyrins [1]. Multiporphyrin arrays, in which coordination bonds are formed between bidentate ligands and the porphyrin metal centers, represent an important controllable assembly motif [2]. Moreover, the axial ligation properties of the metalloporphyrins can be utilized for the self-organization of the molecules [3]. Herein the synthesis of a new dimeric octaethylporphyrin iron (III) complex, [(OEPFe)2(DABCO)](ClO4)2 (where DABCO is 1,4 diazobicyclo[2,2,2] octane), is reported. This complex has been characterized on the basis of spectroscopic studies such as 1HNMR, IR, UV-vis as well as elemental analysis. 1HNMR of [(OEPFe)2(DABCO)](ClO4)2 shows that this complex is diamagnetic.
ij
Synthesis and Characterization of New Neodymium(III) Complexes with 2,2'-bipyridine and Phenylcyanamide Ligands
:
B`T. (J 6a. &. J- B-'b cd BR 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:
The unique physical properties of lanthanide ions are the main reason lanthanide complexes are of great importance in industrial, chemical, medical, and sensor applications [1]. Those are due to their specific spectroscopic and magnetic properties. These applications include the use of luminescent [Eu (III) and Tb (III)] complexes both in medicine as luminescent probes and in the area of supramolecular photochemistry. The highly paramagnetic and long electron relaxant complexes of Gd (III) are used as contrast agents to enhance the output from magnetic resonance imaging (MRI) scanners [2]. The search for strongly luminescent lanthanide complexes, which can be excited in the near UV spectral region, motivated the synthesis of lanthanide (III) complexes containing only aromatic N-donor ligands [3]. These exhibit the luminescence properties if the ligands have sufficiently high energy in their lowest excited state, which they are able to transfer to the lanthanide ions resulting in the intense absorption bands. The 2, 2'-bipyridine (bpy) chromophoric unit satisfies this requirement which is identical to 1, 10-phenanthroline (phen) [4]. In this work, the synthesis of new neodymium (III) complexes with bidentate ligand 2, 2'-bipyridine (bipy) and some phenylcyanamide (pcyd) ligands are reported, [Nd(bipy)2(pcyd)3]. [Nd(bipy)2Cl3OH2] have been prepared by reaction of hydrated neodymium (III) chloride and bipy in absolute ethanol. [Nd(bipy)2(pcyd)3] have been prepared from reaction of [Nd(bipy)2Cl3OH2] with thallium salt of phenylcyanamide, All new compounds have been characterized by IR, UV-Vis, and paramagnetic 1HNMR spectroscopy.
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Synthesis and Characterization of Neodymium(III) complexes with nitrogen ligands
:
B`T. (J 6a. &. R 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Rare earth metal cations, Ln (III) are of great importance for their
industrerial [1], chemical [2], bio-chemical and medicinal applications [3] due to their specific spectroscopic and magnetic properties. The forbidden nature of the 4f–4f transition requires the use of antenna ligands which serve to facilitate energy transfer from the ligand excited state stimulating metal centered luminescence [4]. The search for strongly luminescent lanthanide complexes, which can be exited in the near UV spectral region, motivated the synthesis of lanthanide (III) complexes containing aromatic N-donor ligands [5-10]. They are therefore increasingly used as highly efficient electroluminescent components for light-emitting diodes, luminescence probes for analytes, labels for proteins and amino acids, and for molecular recognition and chirality sensing of biological substrates [11]. In this work, three new complexes, [Nd2(4,4′-bipy)Cl6(OH2)4] (1), [Nd2(4,4′-bipy)(phen)2Cl6] (2) and [Nd2(pyz) (phen)2Cl6] (3) (phen = 1,10- phenanthroline, 4,4'-bipy = 4, 4'-bipyridine, Pz= pyrazine) have been prepared and characterized by IR, UV-Vis and 1H NMR spectroscopy as well as elemental analysis. Shift and broadening of ligand protons in 1H NMR spectra of these complexes is due to coordination of paramagnetic center.
i
Synthesis and Characterization of a new polymeric Nd(III) complex with terephthalic acid
:
a.B`T. (J 6&. R 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Lanthanide coordination polymers have attracted much attention
over the past decades because of their intriguing topological structures, their possible high framework stability, and their interesting luminescent and magnetic properties which have potential applications in biology and optical, electronic, and magnetic functional materials [1]. Although the varied coordination requirements of the lanthanide ions make the rational design and assembly of the lanthanide coordination polymers quite difficult, the inherently high and variable coordination numbers and flexible coordination environment of lanthanide ions provide unique opportunities for synthesizing coordination polymers with unusual architectures and topologies. By rational selection of organic ligand, a variety of lanthanide coordination polymers with various structures and properties have been obtained [2–4]. The terephthalic acid (1, 4-benzenedicarboxylic acid), hereafter symbolized by 1,4-BDC. It presents some interesting characteristics: (i) its two carboxylato groups have a good affinity for lanthanide ions, (ii) its rodlike topology induces low steric hindrance and allows binding of numerous ligands to a given lanthanide ion, (iii) its chemical and thermal stabilities are high, and (iv) it has a high structuring effect because of its σ-system and its donor oxygen atoms that can be involved in hydrogen bonds [5]. In this research a new neodymium coordination polymer, in the stoichiometry of [Nd2(1,4-BDC)(phen)2], have been synthesized. This polymeric complex has been characterized by FT-IR spectroscopy, XRD, TGA/DSC methods and elemental analysis. The result of melting point measurement suggests that this compound is very stable at high temperature (more than 450 ºC).
ii
Synthesis and Characterization of nano Ag Supported on the Natrolite Zeolite
:
B`T. (J 6a. -A- R 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:The zeolites are natural materials with many applications in
industries as catalysts and supports. Natrolite, Na2[Al2Si3O10]·2H2O, is one of the fibrous zeolites with the framework constructed Al and Si tetrahedral. In this article nano silver powder supported on the natrolite surface was synthesized. The nano silver-loaded natrolite zeolite (NAg/NAT) was prepared by loading green nano silver on the surface of natrolite powder in aqueous AgNO3 solution. Then, 10 ml of sodiumborohydride (1.0 M) was added and stirred for 1.5 h by rotary evaporator. The solution was filtered. Zeolite was washed two times with deionized water and dried at 50 ºC overnight. The resulting silver nano particles supported on the natrolite zeolite were characterized by transmission electron microscopy (TEM), X-ray powder diffraction (XRD), UV–Vis and FT-IR spectroscopy.
Preparation and Characterization of nano zero valent Iron(NZVI) supported on the Natrolite Zeolite
:
B`T. (J 6a. -A- R 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:The zeolites are natural materials with many applications in
industries as catalysts and supports. Natrolite, Na2 [Al2Si3O10]·2H2O, is one of the fibrous zeolites with the framework constructed from the chains of corner-sharing Al and Si oxygen tetrahedral In this article nano zero valent Iron (NZVI) powder supported on the natrolite surface was synthesized [1-3].. Natrolite used in this study was obtained from Sistan and Baluchestan Pprovince. The synthesis of NZVI-natrolite based on the
il
borohydride reduction method, originally reported for synthesizing NZVI from Fe2+ ions. In the relevant experiments, FeCl2·4H2O and NaBH4 were used as iron and borohydride sources. The NZVI-natrolite materials were synthesized such that the Fe:natrolite mass ratio was 1:1. For this sample; 5.34 g FeCl2·4H2O was dissolved in a 4/1 (v/v) ethanol/water mixture (24 mL ethanol 6 mL deionized water), then 1.5 g natrolite was added to this solution and the mixture was left in an ultrasonic shaker for 30 min in order to disperse the natrolite grains. Meanwhile,1.0 M sodiumborohydride solutionwas prepared by dissolving 3.05 g NaBH4 in 100mL of deionizedwater. This offered a total BH4 /Fe2+ ratio of 3, providing excess borohydride to ensure the reduction of Fe2+ ions. The borohydride solution was then added drop wise to the aqueous Fe2+–natrolite mixture while stirring continuously on a magnetic stirrer. These composite were characterized by spectroscopic methods such as FTIR and UV-Vis as well as X-Ray diffraction, SEM and TEM.
Binding studies of DNA with [Nd(phen)2Cl3(OH2)] (Phen=1,10 phenanthroline)
:
B`T. (J 6a. ><. R 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Lanthanide ions are remarkably effective catalysts for the hydrolytic
cleavage of phosphate ester bonds, including the robust bonds of DNA [1]. Luminescent lanthanide (III) complexes are used for labeling of biomolecules and in immunoassay [2]. In recent years there has been an increasing interest in luminescent lanthanide (Ln) complexes because of their attractive emission properties such as long lifetime, large stokes shift, and line-like emission [3]. Understanding the binding of small molecules to DNA is, therefore, potentially useful in developing design principles to guide the synthesis of new improved drugs which can recognize a specific site or conformation of DNA and to provide a good tool for biotechnology [4-6]. The fluorescent method has been widely used in the DNA determination for its high sensitivity, good repeatability and accuracy [7], also 1, 10 phenanthroline and its derivatives are good fluorescent probes for DNA.In this work, the DNA-binding properties of the Nd(III) complex,
im
[Nd(phen)2Cl3(OH2)] (1), were investigated by fluorescence and ultraviolet visible absorption spectroscopy. The intrinsic binding constants Kb of complex and DNA was obtained by these methods. Absorption titration experiments were performed with fixed concentrations of the complex (10-
3M) while gradually increasing the concentration of DNA. Upon addition of DNA to an aqueous solution of complex 1 (in Tris buffer), intensity of absorption bands at λ = 227, 265 nm (or emission in fluorescence) decreases which is due to the interaction of [Nd(phen)2Cl3(OH2)] (1) with DNA.
Spectral studies on the interaction of DNA and [Nd(bipy)2Cl3(OH2)] (Phen=2,2'- bipyridine)
:
B`T. (J 6a. .><. R 2- eX :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:The specific spectroscopic and magnetic properties of lanthanide
have made them essential components in the preparation of new materials and ideal as probes in studies of biological systems [1]. In the last decade the binding of small molecules to DNA has been extensively investigated to develop novel probes of DNA structure, new therapeutic agents which can recognize or cleave DNA and DNA- mediated electron transfer reactions. Central metal or the ligands may be varied in an easily controlled manner to facilitate a certain application, which provides an easy access for the detailed study DNA-binding mechanisms [2]. At present work, the interaction of [Nd(bipy)2Cl3(OH2)] with DNA has been studied with fluorescence and ultraviolet visible absorption spectroscopy. The binding constant, Kb in Tris-HCl buffers have been calculated by these methods. The absorbance measurements were performed by keeping the concentration of the complex constant (10-3M) while varying the DNA concentrations. While measuring the absorption spectra, an equal amount of DNA was added to both the compound solution and the reference solution to eliminate the absorbance of DNA itself. Upon addition of DNA to an aqueous solution of complex 1 (in Tris buffer), intensity of absorption bands (or emission in fluorescence) decreases which is due to the interaction of [Nd(bipy)2Cl3(OH2)] (1) with DNA. Kb, binding constant of this interaction found out to be 1.4×103 M-1.
i
DNA Interaction with Praseodymium(III) Complex containing 2.2'-bipyridine ligand
:
B`T. (J 6a. J R 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Lanthanide complexes increasingly used in lasers, protein labeling
light emitting diodes and displaydevices, biological assays and imaging application [1]. The La (III) complex had significant cytoxic activity against the tested cells [2]. Many efforts have been directed towards the design of complexes containing modified 2, 2'-bipyridine or phenanthroline ligands that bind DNA primarily via-base pair intercalation. The La (III) complex promising candidate for therapeutic reagents and DNA probes [3]. Here, we used the praseodymium (III) complex, [Pr(bipy)2Cl3(OH2)] (1), with good solubility in water within the physiological pH range and interaction between (1) and DNA has been studied by Uv-Vis and fluorescence spectroscopes within the physiological pH range (pH 6-8). Absorption titration experiments were performed with fixed concentrations of complex while gradually increasing the concentration of DNA. Upon addition of DNA to an aqueous solution of complex 1 (in Tris buffer), intensity of absorption bands at λ = 229, 270 nm (or emission in fluorescence) decreases which is due to the interaction of [Pr(bipy)2Cl3(OH2)] (1) with DNA. Kb, binding constant of this interaction found out to be 1.6×103 M-1.
Preparation and Characterization of Nano-Platinum supported on the Natrolite Zeolite
:
B`T. (J 6a. .< "" 'TZ. ( BR 2- eX. :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Zeolites are crystalline aluminosilicates. They are composed of
cations (generally metal ions, but also ammonium ions or hydrogen ions) and an aluminosilicate anion framework. Zeolites are adsorbents for gases
i
and liquids and they are cation exchange materials [1]. They have also been used in liquid phase acid catalytic reactions. Zeolites are reported to be conductors and that the conduction was assumed by migration of ions and not by electrons. In addition Y-zeolite possesses excellent mechanical strength. Zeolite A is found to be an efficient support when incorporated with metal groups that consist of Pt, Pd, Ru, Au, Rh, and Ir [2]. The zeolite material contains acidic protonic entities on its surface, which makes it more hydrophilic than carbon, and when used as a catalyst support in fuel cell electrodes, it results in lower resistance and less ohmic power losses than are found in electrodes that employ the use of carbon, exclusively as the support material. Further, these zeolite materials contain an array of channels which allow relatively high gas permeability [3, 4]. A special sputtered electrode, which is extremely porous on Zeolite X, has been developed by Surampudi et al. for a DMFC system [4]. The important role for zeolite Y in a copper-based electrocatalyst has recently been reported. The present investigation describes the preparation of platinum in HY zeolite using a simple synthesis procedure and confirms the superior activity of such catalysts as anode material for methanol oxidation. In this work, three grams of natrolite zeolite was washed with 800 cm3 of de-ionized water and dried at 383 K for 2 days. The zeolite powder was then dispersed in 1000 cm3 of water and a calculated amount of an aqueous solution of [H2PtCl6] (0.1 g cm−3) was added drop-wise while stirring so as to obtain a catalyst with the desired metal loading (2 wt.%). The stirring was continued for 10 h. The reduction of the incorporated Pt within the zeolite was carried out using 0.1M NaBH4, as suggested elsewhere [5]. After 10 h, the platinized zeolite sample was filtered and dried under flowing nitrogen at 313 K. The structure and micro-morphology of Pt/zeolite were characterized by the X-ray diffraction (XRD) and atomic force microscopy (AFM).
7&-n< V&A Fo< !!. -9J( 7Q!T. 7;0[OEPFeIII(DicydH)] :
B`T. (J 6a. -'b cd R 2- eX. :6 (& < (&-# W ' :
&( # 1 6 :G) ! GG. )*++ :
i_
Dye-Sensitized Nanocrystalline ZnO Solar Cells Based on Ruthenium(II) Phendione Complex Photosensitizers: New DSSCs
:
. B(" E BR 2- eX. B`T. (J 6a. B ,; e . " .
:
3rd Conference on Nanostructures :< :
10-12 March 2010 ::
In the present study, first the metal complexes [Ru II (phen)2(phendione)] (PF6)2 .2H2O, [Ru II (phen)(bpy)(phendione)](PF6)2.2H2O and [Ru II (bpy)2(phendione)](PF6)2.2H2O, (phen = 1,10-phenanthroline, bpy = 2,2/ bipyridine and phendione = 1,10-phenanthroline-5,6-dione) have been synthesized as photo sensitizers for ZnO semiconductor in solar cells. FT-IR and absorption spectra showed the favorable interfacial binding between the dyemolecules and ZnO, surface. The surface analysis and size of adsorbed dye on nanostructure ZnO were further examined with AFM. The AFM images clearly show both, the outgrowth of the complexes which are absorbed on ZnO thin film and the depression of ZnO thin film. We have studied photovoltaic properties of dye-sensitized nanocrystalline semiconductor solar cells based on Ru phendion complexes and an iodine redox electrolyte. A solar energy to electricity conversion efficiency () of 1.54% was obtained under the standard AM 1.5 irradiation (100mWcm-2) with a short-circuit photocurrent density (Jsc) of 3.42 mA cm-2, an open-circuit photovoltage (Voc) of 0.622 V, and a fill factor (ff) of 0.72. Monochromatic incident photon to current conversion efficiency was 38% at 485 nm.
ih
Synthesis and characterization of new Proton-Transfer Cr(III) complex
:
. 6 p!. 6q.- B E- E : '&< 26 Q. F :6;'b 1 :
GfgG*/;"- )*++ :
:Proton-transfer in molecular associations between carboxylic acids
and Lewis bases confers considerable stability upon the structure-making process, resulting generally in more hydrogen-bonding associations particularly involving the protonated amine groups. In this work, it is reported the synthesis of the novel Proton- Transfer system [Cr(dipich](2-abtazH), where dipic = pyridine 2,6-dicarboxylate and 2-abtazH = 2aminobenzotiazol, by reacting of [Cr(H20)4Ch]CI with dipic and 2-abtaz. The complex has been characterized by elemental analysis, electrochemical method, FT-IR and UV-Vis spectroscopy. The infrared spectrum of this complex shows strong absorption at 1655 ern", corresponding to the uasym (C=O) mode of the dipic ligands. The shift toward higher frequencies of this peak, when compared with that of the free dipic ligand in acidic form (1699 em") is consistent with the coordination of the ligand. Electronic spectrum of [Cr(dipich](2-Habtaz) complex in EtOH shows an absorption band at 550 nm, which is assigned to ligand field transitions (d-d). The absorption bands in UV region is assigned to ligand-center transitions. The results of elemental analysis also consist with the expected formulation of the complex.
lj
Synthesis and Characterizations of mononuclear Cadmium(II) complex with 2-hydroxybenzonic acid and 2,2' Bipyridine amine
:
p!. 6q.- B E- E . 6 :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:The rational design, synthesis, and characterization of novel
metalorganic frameworks (MOFs) have been of great current research interest, not only because of their intriguing variety of architectures and topologies but also because of their potential applications such as magnetism, electric conductivity, molecular adsorption, 'and heterogeneous catalysis. In this work, a novel mononuclear Cadmium (II) complex, [Cd(2-hyb)2(bpyaminehl, (where 2-hyb = 2-hydroxybenzoate and bpyarnine = 2,2' bipyridineamine) has been synthesized and characterized by elemental analysis, FT-IR, UV-Vis and IH NMR. spectroscopy. The infrared spectrum of this complex shows strong absorption in 1535-1594 cm-I range, corresponding to the 'UaSym (C=O) mode of the ~-hyb ligands. The shift toward higher frequencies of this peak, when compared with that of the free 2-hyb ligand in acidic form (1578-1655 em") is consistent with the coordination of the ligand. Electronic spectrum of [Cd(2hybh(bpyaminehl complex in EtOH shows abs~rPtion bands in UV region which are assigned to ligand- center transitions.The crystal structure' of this complex has' been determined by single crystal diffraction method. The colorless crystals of the desired complex is grown by slow evaporation of aqueous solution of the complex. The complex has a triclinic crystal system (Z=2) and space group of PI. The structure of the complex shows, one of the pyridinum ring of the bpyamine is twisted and acts as a mono dentate ligand.. however, the other bpyamine acts as a bidentate ligand. ORTEP of the complex shows the geometry about' the Cd(II) is distorted pentagonal bipiramidal.
lk
Synthesis and Characterization [Zn(dca)2(phen-dione)2H2O] complex
:
#0 E- E :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:The dicyanamide (dca) anion, N(CNh-, exhibits a rich variety of
bonding modes and thus can form different structural types. It can be coordinated either as a monodentate ligand or, more typically, as a bridging ligand with participation of two or three N donor atoms. As a bridging ligand it binds mostly to two or three metal atoms, but compounds with tetradentate or even pentadentate dca are known [1]. As a consequence of the possible bridging function . of dca, there has been an unusual level of interest in this ligand in recent years, especially in connection with the preparation of magnetic materials. Among them, weak ferromagnets of general formula a-fMC dca)»], with a three-dimensional rutile-type structure, have attracted much attention because of the ability of dca to act as a molecular-based magnet precursor, with several transition metal ions octahedrally coordinated by tridentate dca ligands. If the two dca ligands are tetrahedrally coordinated only through the cyano N atoms, ~-isomers of these compounds occur in the form of sheet-like structures [2]. Monodentate coordination of dca through the amide N atom is rather rare and, to date, only two crystal structures of such compounds are known [3]. On the other hand, the structures of several molecular and ionic compounds with dca coordinated in a monodentate manner through a cyano N atom have been reported. These compounds contain either six-coordinate central atoms and are of the general formula [M(L4)(dca)2], in which (L4) may be one tetradentate, two bidentate or four monodentate ligands [4]. In this work, we have synthesized [Zn( dca)z(L4)HzO ] where dca= dicyanamide, L= 1,10- phenanthroline- 5,6- dion (phen-dione). The deep yellow crystal of desired complex were purified and fully characterized by 'H-NMR, FT- IR and UV-vis spectroscopic techniques and elemental analysis. The IR spectrum of the complex shows a strong bands at 1697 cm-l that is assigned to u(C=O) of the phen-dione, In the case of monodentate coordination of dca through a cyano N atom, as a rule two u (C=N) bands appear in the 22292276 cm-' range [for uas(C=N)] and 2142-21169 cm-' [for us(C=N)], respectively. The
l
electronic spectrum of this complex in DMF shows an absorption band in visible region which is assigned to MLCT transition. The absorption band in UV region is assigned to ligand center transition.
Preparation of Cr-Ni/Al2O3 catalyst from [Ni(bpy)3][Cr(dipic)2]NO3/Al2O3 precursor for Fischer-Tropsch synthesis
:
-Q. 1J B' 2R B- !b B E- E :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Fischer- Tropsch synthesis (FTS) is one of the attractive methods for
the production of hydrocarbons. Also, the conventional sources for the production of synthesis gas (i.e., syngas) are the steam reforming of natural gas and naphtha [1]. Research and development of a high performance catalyst is one of the key technologies for FTS [2]. We have prepared aluminasupported [Ni(bpyh][Cr(dipich]N03 precursor. The [Ni(bpY)3] [Cr(dipic)2] N03 complex has been characterized by elemental analysis, XRD, IR, UV-vis, IH NMR and l3C NMR spectroscopy and cyclic voltammetry. The IR spectrum of complex shows the absorption bands that can, in general, be attributed to the presence of the dipicolinate carboxylate groups, the bipyridine ligand molecules and the ionic nitrate group. The strong band present in the spectrum at 1384cm-1 is due to the stretching .vi,br~tion of the nitrate group [v(NO)]. [Ni(bpY)3][Cr(dipic)2]N03/Ah03 was calcined at 773 k for 5 h.: Characterization of both precursor. andcalcined catalyst were carried out using FT-TR, XRD, SEM, Bli'Lspecific .surface area and thermal analysis methods (TGAlDSC). SEM observation have shown <differences in morphology of both precursor and calcined catalyst. The activity and selectivity of prepared catalyst has been studied under atmospheric pressure in a range of reactor itemperatures using synthesis gas with different Hz/CO molar' feed ratios.
li
A Novel method for preparation of binary Mn-Ni catalyst supported on SiO2 for Fischer-Tropsch synthesis
:
-Q. - !b B' 2R B E- E :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Fischer-Tropsch synthesis (FTS), i.e. the conversion of syngas
(H2+CO) to hydrocarbons, has been used since the early 20th century to produce _ Iiquid fuels and chemicals from coal, natural gas and other C-based materials [1]. Generally, catalyst for the FTS consist of metals such as manganese, nickel, cobalt, iron and ruthenium impregnated on supports ranging from metal oxids to zeolites [2,3]. In this study, catalyst has prepared from precursor of [Mn(bpY)3] [Ni( dipic h] supported on silica. This preparation procedure is a novel suitable method to produce higher active catalysts for the hydrogenation of carbon monoxide. [Mn(bpY)3][Ni(dipic)2] was synthesized and characterized by JR, lH NMR, I3C NMR, UV-vis and XRD spectroscopy. The IR spectrum of the H2dipic shows a strong band around 1700 em' 1 assignable to u (C=O) of COOH moiety. In the complex, this band was shifted to lower frequency. The C=N stretching vibration of free 2,2' -bipyridine was shifted to lower frequency in the corresponding complex. This indicates coordination of the imin group of 2,2' -bipyridine to the metal ion. [Mn(bpY)3] [Ni( dipic )2]/Si02 precursor and calcined compound have been characterized by XRD, Thermal analysis methods (fGAIDSC) and BET specific surface area. The calcined catalyst showed a higher surface area than the precursor. The activity of prepared catalyst is also studied.
ll
Synthesis and characterization of two new Ni(II) complexes with µ 1,5-dicyanamide as bridging ligand
:
-Q. -A & B- !b B' 2R B E- E :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Dicyanamide ligand can act as in uni-, bi-, tridentate manner and
both of its homo- and heteroleptic complexes have rich topologies and magnetic properties [1]. As a bridging ligand, five types of bridging modes have been structurally characterized so far; two connecting, three connecting, four connecting and even five connecting [2]. In this study, the new [(bpY)2Nih(lll,s-dca)](N03)3 and [(phen-dionehNih(J.!I,s-dca)](N03)3 complexes were synthesized and characterized by electrochemical method, IR, UV-Vis, lH NMR spectroscopy. The IR spectrum of [(bpY)2Nih(J.!I,s-dca)](N03h complex shows strong absorptions in the 2239-2142 Cm-1 region, corresponding to the vs+vas(C=N), vas(C=N), and vs(C=N) modes of the dca ligand. The shift toward higher frequencies of these peaks, when comeared with those of the free dca in its sodium salt (strong peaks at 2282, 2232 and 2129 Cm") is consistent with the coordination of the ligand. The IR spectrum of [(phendione)zNiz(J.!I,s-dca)](N03)3 complex depicts several UCN bands at 2192, 2177, 2163 Cm-1 which are attributed to us+uas(C=N), uaiC=N), us(C=N) modes. All of the data differ significantly from those of Na[N(CN)2]' Electronic spectrum of [(phen-dione)2Nih(J.!1,sdca)](N03h complex in DMF shows an absorption band at 460 nm, which is assigned to metal-to-ligand charge transfer (MLCT). The absorption bands seen in the UV region are assigned to ligand-centered transitions. The electrochemistry of these complexes have been investigated in DMF by cyclic voltammetry and differential pulse polarography.
lm
Preparation and characterization of active copper nickel oxide catalyst using a novel method for conversion of synthesis gas to light olefins
:
- !b -A & B1J B' 2R B E- E :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:In the Fischer- Tropsch synthesis process, the conversion of syngas
over a catalyst is one of the most pivotal steps. Consequently, choosing a suitable catalyst is very important [1,2]. Cu-NiiSiCi2'c(italyst ,~~s.prypared'QY a novel method and studied for the conversion of synthesis ·gaf t~light -olefins-byFischer-Tropsch syntq~sis. The catalyst was prepared from [Cu(H:zO)6][Wi('dipich]/Si02 precilrsor;'[Cu(H20)6][Ni(tiipich] complex was characterized by elemental analysis, 'IR, BV-vis,IH NMR, I3C NMRand XRD spectroscopy. The IR spectrum of complex shows two sets of vibrations due to the aqua and dipicolinate carboxylate ligands. The electrochemistry of this complex was investigated in DMF by cyclic voltammetry and differential pulse polarography. [Cu(H20)6][Ni(dipic)2] was supported on Si02 and calcined at 500°C. The activity of prepared catalyst was studied in a fixed bed micro reactor in a range of reactor temperatures using synthesis gas with different H2/CO molar feed ratios and different operating pressure condition. Characterization of both precursor and calcined catalyst were carried out using FT-IR, X-ray diffraction, thermal analysis method such as TGA and DtS scanning electron microscopy (SEM) and BET specific surface area. The XRD pattern of b h precursor and calcined catalyst showed crystalline phases.
l
Synthesis and Characterization [Cu(mba)2(L)] complex :
0 ( E- E#0 7 :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Due to the ambidentate nature of carboxylate ligands, they can bind
in bridging or monodentate fashion to a metal ion. The rational design and synthesis of metal-organic frameworks (MOFs) with carboxylic acids using various secondary building units (SBUs) connected through coordination bonds, supramolecular contacts (hydrogen bonding, 1r:-1t stacking, etc.), or their combination, continue to be interesting an-d attractive due to not only their potential properties in catalysis, magnetic behavior, optical material and adsorption, but also their intriguing network architectures. A large number of different dimensional coordination polymers have been prepared andcharacterized using a variety of carboxylic acids. Of the many such kinds of compounds investigated, those containing benzene-core carboxylic acids constitute an important family as they have proven to b~ good candidates for the rich coordination modes, such as terminal rnonodentate, chelating to one metal center and various modes of bridging coordination of two, three, four Qr. ~ven five metal centers. In recent years, the scope of the investigations on b~I!z€me;::co~e ,carbo(¥liS acids, has been enhanced enormously by using N- or O-heterocyclic dicarboxylic acids such .as pyridine-, pyran-dicarboxylic acids which can use their carboxylate oxygens and nitrogen. or oxygen atoms on the heterocycle to approach metal ions, to form interesting frameworks. Although quite a number of compounds have been prepared and explored by the use of such heterocyclic dicarboxyIic acids, there are still a great deal of uncharacterized compounds with novel .crystal structures emerged under various reaction conditions, and these new compounds mostly' are serendipitous, especially the' emergence of fancy and intricate supramolecular architectures assembled by small building blocks through hydrogen bonding and n-n stacking interactions, which greatly attract chemists' attention. In order to continue and extend our work, we have recently synthesized two new Cu(II) complexes with 4-methylbenzoicacid (mba),dipyridylamine (dpyam) and phendion, that is, [Cu(mba)z(dpyam)] (1), [Cu(mba)2(phendion) ] (2). The deep green crystal of complexes were purified and fully characterized by IH-NMR, FT- lR
l
andUV-vis spectroscopic techniques as well as elemental analysis and cyclic voltammetry. The IR spectrum of complex (1) shows a multiplet appear in the 1372-1590 em'] range for v(C-N) and two bands at 16051657 cm-l for v(C =0), respectively. The IR spectrum of complex (2) shows a multi bands appear in the 1286-1400 ern" range for v(C-N) and a multi bands appear in the 1578-1678 cm-l range for u(C =0) of phendion that overlaped with v(C =0) of 4-methylbenzoicacid. The electronic spectrum of these complexes in DMF shows an absorption band in visible region which is assigned to LMCT transition. The absorption band in UV region is assigned to ligand center transition
>&1&. /!0< (& 7;0g< r :
1J >;# e. ' 2R 5 B- !b E B E- E :6 (& < (&-# W ' :
&( # 1 6 :G) ! GG. )*++ :
:In this study, Mn-Ni oxide catalyst has prepared from precursor of
[Mn(H2O)6][Ni(dipic)2] supported on silica. This preparation procedure is a novel suitable method to produce higher active catalysts. [Mn(H2O)6] [Ni(dipic)2] complex was synthesized and characterized by FT-IR, UV-Vis, 1H NMR and 13CNMR spectroscopy. Characterization of both precursor and catalyst were carried out using FT-IR, X-ray diffraction, BET specific surface area.
!T. 7;0F. /!0< -9J( 7Qg< r :
1J >;# e. ' 2R 5 B- !b E B E- E :6 (& < (&-# W ' :
&( # 1 6 :G) ! GG. )*++ :
:Silica-supported [Cu(H2O)6][Ni(dipic)2] precursor has been
synthesized for preparation of Cu-Ni/SiO2 catalyst.The complex has been characterized by elemental analysis and various spectroscopy techniques
l_
such as FT-IR, Uv-vis and 13C-NMR. Characterization of both precursor and catalyst were carried out using FT-IR, XRD, SEMand BET specific surface area. The XRD pattern of both precursor and calcined catalyst showed crystalline phases.
F# Fo< -# -9J( )GB´GgA .: r(B))B)tg!9 &R (r )II(Bu'R-pR >1[Ni(dpa)2(phen)](PF6)2
:
0] 9(- 2.R -Z&. "8 B2 B E- E :6 (& < (&-# W ' :
( # 1 & 6 :G) ! GG. )*++ :
:Single crystals of the compound of formula [Ni(dpa)2(phen)](PF6)2
(dpa=2,2′-Dipyridylamine) have been prepared and structurally characterised by X-ray diffraction. This complex has a space group Orthorhombic (Z=8) and crystal system of Pbca with a =18.3872(6) Å, b =16.4627(7)Å, c =22.7853(10)Å, β = 90° V= 6897.2(5)Å3. The structure was refined by using 7535 independent reflections, with I>2 s(I) to an R factor of 0.0469. The structure analysis reveals that the omplex has an approximate D3 symmetry. The transoid angles of the three ligands show that the coordination geometry around the NiII ion is distorted octahedral. The crystal packing shows that hydrogen bonds (N-H...F).
-9J( F0 Fo< -#)vBf gBr&R )tB) –!9 &R (r )II(>1 Bu'R-pR[Ni(Ph2phen) 3](PF6)2
:
bJ E- -Z&. "8 B2 B E- E :6 (& < (&-# W ' :
&( # 1 6 :G) ! GG. )*++ :
:The crystal structure of [Ni(Ph2phen)3](PF6)2.CH3CN complex,
where Ph2phen is 4,7-diphenyl - 1,10-phenanthroline, has been determined by single-crystal X-ray diffraction method. Orange crystals of [Ni(Ph2phen)3](PF6)2.CH3CN were grown by ether diffusion into an
lh
acetonitrile solution of the complex. This complex has a space group Orthorhombic (Z=8) and crystal system of Pbca with a = 3.8348(19)Å, b = 29.231(3)Å, c = 31.913(3)Å, β = 90° V= 12906(3)Å3. The structure was refined by using 17293 independent reflections, with I>2 s(I) to an R factor of 0.0992. the geometry around the NiII ion is distorted-octahedral. Phenyl groups on the Ph2phen ligand are rotated out of the plane of the phenanthroline that can possibly to facilitate stacking interactions.
F. x9y. < /!0< F 7Q zA 7Q!T. g>&1&. :
"b . - !b E B' 2R 5 B E- E : < (&-# W '6 (& :
&( # 1 6 :G) ! GG. )*++ :
:Mn-Ni mixed oxide catalyst has prepared from precursor of
[Cu(H2O)6][Mn(dipic)2] supported on silica.[Cu(H2O)6][Mn(dipic)2] complex was synthesized and characterized by FT-IR, UV-Vis, 1H NMR and 13CNMR spectroscopy. Characterization of both precursor and catalyst were carried out using FT-IR, X-ray diffraction, BET specific surface area. The XRD pattern of both precursor and catalyst showed crystalline phases.
.: rA 1! # e.< 2 5 Fo< -# -9J( (-# 7;0Gg( ?p>&# <-
:
E- E . 6 Bp!. 6q.- :6 (& < (&-# W ' :
1 &( # 6 :G) ! GG. )*++ :
mj
Synthesis and characterization of a dicyanamide-bridged copper(II) complex [Cu(phen-dione)2]2 (dca)(NO3)3
:
-Z&. "8 &5 7 B E- E :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:Work on polynuclear systems derived from azide or dicyanamide
(dca) anions acting as bridging ligands is a fast-growing research field due to the large variety of topologies, dimensionalities, and magnetic properties that can be obtained. Dicyanamide may act as a bridging ligand by coordination .•. 'to two different metallic centers by means of the terminal nitrile N-atoms [1]. Transition metal dicyanamide (dca) complexes have received much interest from the molecular magnets community as well as others. Such interest can be attributed to dca's coordination variability and particularly good Lewis basicity. Over the past year or so, The bridging ability of pseudo halide ions (both linear, CN-, N3 -, NCO-, NCS-, NCSe-, CNO-, and nonlinear, N(CN)2-, C(CN)3-, ONC(CN)2-, etc.) as well as more complex entities such as diamagnetic [Ni(CN)4]2- and [Ag(CN)2]- was utilized for a long time in designing low dimensional materials whose magnetic properties have been extensively studied [2]. In this work, we report new binary copper(lI) complex containing 1,10phenanthroline-5,6-dione (phen-dione) ligands an dca briging ligand. This complex [Cu (phen-dione)2]2 (dca) (N03)3 has been synthesized and characterized with elemental analysis, FT-IR, IH NMR, and UV-Vis spectroscopies. The IR spectrum of this complex shows a strong band at 1689 cm-l that is assigned to u(C=O) of the phen-dione ligand [3] . . Neutral dca shows a characteristic IR u(NCN) stretching absorption in a wave number range (2171-2227 em-I), which shifts down to 2206 cm-l for bridging dca [4]. Electronic spectral ;gata for this complex in acetonitrile shows the absorption bands in the UV region which are ;:assigned to ligand-centered transitions (1t~1t*, n~1t* ). Two ligand field transitions for five~~1coordinated Cull with a trigonal-bipyramidal geometry (dxz > dyz ~ dz2 and dx2_ y2 ~ dz2 ~iare expected as have been reported for [Cu(phen)2CI]PF6 at 826 and 952 nm. This complex ~\\~howed only one broad transition in the visible region which can be assigned as LMCT ~~1ransition
mk
Synthesis and structure of [Cu(dca)2(EtOH)2]n :
E- E &5 7 :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:The synthesis of a multidimensional network structure is at the
forefront of modern research due to the ability to design as well as control a wide range of architectures. In particular, coordination polymers are formed when divalent first-row transition metals are linked with the generally ambidentate (monodentate and tridentate coordination is also possible). dicyanamide (dca, N(CN);) anion ligand having a significant current interest for their structural diversities and potentially interesting magnetic properties. The structures of the isomorphous series -M(II)(dca)2, M = Cr, Mn, Fe, Co, Ni, Cu contain 3D networks of octahedral metal ions bridged by II ,3,5-dca ligands. In the case of Cu (II), the Cu-N (amide) bond lengths greater than are the Cu-N (nitrile) lengths because of the Jahn- Teller effects. A new ,uJ.5-dicyanamido bridged compound of general formula [Cu(dea)2(EtoH)2t , where dca is dicyanamide, has been synthesized and characterized by elemental analysis, spectroscopies methods such as FT - I R, UV-vis and electrochemical method. The selected -I FT-IR data in the range 2277- 941 em are discussed. This compoundshows four bands: vS).m(C:= N) 2206, vasym (C:= N) 2277, v. (C-N) 941 and V (C-N) 1397 idzi d '1m asym which are assigned to bn ging ca. The observed IR bands are in agreement with the literature for coordinated dca
6 69]# 7T&. ]# r".2 A p- S. . - !J uS :
9( E :6: /. -- !J uS . . :
6;'b :*)g*t/;"- )*++ :
m
The application if extracted humic acid from forest soil in production of the ion selective electrode to measure Calcium ion
:
. 9( E :6 9! -&( W&A :
;0 ,-. /#0 1 6 :)v )+/;"- )*++ :
69( 69( - /< ,9o!< p- &|- F u"<0 Q069]#
:
z91&( . 9( E : .c( -;5 d!&0# . 6 :
c. # ; !( B6;0 :GfgGG. )*++ :
1&5 ~J 2 y9( ( ?. 9! -9R- 7Q!T. :
6R< E- 9( E :d!&0# . 6 .c( -;5 :c. # ; !( B6;0 :
GfgGG. )*++ :
69]# 7T&. 2 ]# r".2# 1&( u>R 2 )<69'0(
:
9( E :6 3< b& 1&< . :
6.< :%/q! v;# )*++ :
mi
One-pot synthesis of 2,3-dihydroquinazolin-4(1H)-ones using Al(H2PO4)3 under thermal and solvent-free conditions
:
6 E- E :> F '&<6 !: :
6W 2 1 :Gv /q! GH. )*++ :
HS-SPME-GC-MS Analysis of Volatile Organic Compounds Released During Thermo-oxidative Degradation of PMMA
:
py< Q. :9th International Seminar on Polymer Science and Technology :
6;0 :G$ ! GH;. )*++ :
:The composition of volatile organic compounds generated during
thermal decomposition of poly (methyl methacrylate) (PMMA) were analysed by capillary gas chromatography with mass spectrometry detection (GC/MS). Thermo-oxidative degradation of PMMA was carried out for 15 min in sealed glass vials at different temperatures. Volatile compounds released from heated poly(methyl methacrylate) were extracted/preconcentrated from the headspace of the sample into a PDMS (100 µm thickness) solid phase microextraction (SPME) polymeric fibre. After then, the fibre was inserted in the hot injection port of the GC. Semi-quantitative analysis was shown that the released gases are a complex mixture of degradation products of the PMMA polymer, mainly consisted of methyl methacrylate monomer and oligomers and several acidic and esteric compounds and a few aromatics (toluene and benzene). The temperature influence on the amount and type of the compounds emitted from the smoke evolved from PMMA was also studied.
ml
Separation of Zinc from dilute aqueous solution using molecular imprinting technique
:
.. W. Bpy< Q. B75J 'TZ. :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:In the present study, separation of zinc from dilute aqueous solution
by solid phase extraction (SPE) based on molecular imprinting technique is presented. Zinc imprinted polymer was prepared by free radical solution polymerization in a glass tube containing ZnSO4, morin, 4-vinylpyridine (VP) as a functional monomer, ethyleneglycoldimethacrylate (EDMA) as a cross-linking monomer, 2,2′- azobisisobutyronitrile (AIBN) as an initiator. The polymer block obtained was ground and sieved (55-75 µm) and the Zn-morin complex was removed from polymer particles by leaching with 2 Mof HCl which leaves a cavity in the polymer particles. The synthesized polymer particles both prior to and after leaching have been characterized by IR and differential scanning calorimetry (DSC) studies. The effect of different parameters, such as pH, adsorption and desorption time, type and least amount of the eluent for elution of the complex from polymer were evaluated. Extraction efficiencies more than 99% were obtained by elution of the polymers with 10 mL of CH2Cl2- dimethyl sulfoxide (DMSO) (1:1, v/v). The limit of detection of the proposed method was 2.9 µg L-1. Adynamic linear range (DLR) in the range of 25 to 200 µg L-1 was obtained. The relative standard deviation (RSD) was better than 9.1%. After then, the influence of various cationic and anionic interferences on percent recovery of complex was studied. The method was applied to the recovery and determination of zinc in a few different real samples.
mm
Comparison of three techniques, ultrasonic assisted headspace liquid phase microextraction, ultrasonic assisted headspace solid phase microextraction and hydrodistillation, for the determination of volatile compounds of Myrtus Communis-L
:
[!b . . Bpy< Q. B ,8 E :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:For the first time, two microextraction techniques, ultrasonic assisted
headspace liquid phase microextraction (UA - HSME) and ultrasonic assisted headspace solid phase microextraction (UA-HS-SPME) were used and compared to each other for the extraction and analysis of volatile components of Myrtus Communis-L, followed by gas chromatography–mass spectrometry (GC-MS). The results were also compared with hydro-distillation (HD) technique alone. Parameters influencing extraction by the three techniques were studied and optimized. The UA-HS-SPME using a 100 µm polydimethyl siloxane (PDMS) coated fiber provided effective sample enrichment, and was carried out by fiber exposition at room temperature for 20 min, ultrasonication for 10 min, sample weight of 0.3g with a mesh size of 30, vial volume of 10 mL and a fiber desorption of 20 min. After full optimization, best recoveries of target analytes were achieved by UA – HSME at the following conditions: n-octadecane as extracting solvent, 1250 rpm stirring rate, 30 min extraction time, 10 min of ultrasonication, and 30% NaCl. For each of the three techniques mentioned above, main volatile compounds from Myrtus Communis-L were extracted, identified and quantified.
m
Analysis of acrylamide in potato chips and crisps by Liquid-Liquid-Liquid Microextraction in combination with GC
:
" -'b "R B . Bpy< Q. :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:A novel, simple and rapid method has been developed to determine
low levels of acrylamide in potato chips and crisps by using Liquid-Liquid-Liquid Microextraction (LLLME) coupled to gas chromatography (GC). In this experiment the acrylamide was successively extracted from a donor phase (i.e., a water sample) into several microliters of an organic phase and then from the organic phase into 3.5 µL of an acceptor phase (i.e., an aqueous extract). The optimized LLLME experimental procedures to extract acrylamide in water solutions were: use of an ethyl hexanoate as extracting organic phase from aqueous media at pH 6, back extracted to the aqueous phase for extraction time of 9 min and extraction temperature of 30 oC. The optimum volume of sample solution was 6.0 mL and the sample was agitated at 400 rpm. A quantitation limit of 1.0 µg.L−1 was obtained. The regression analysis was linear in the range of 1.0–500 µg.L−1. The relative standard deviation was 11.48% (n = 5). The proposed analytical method was successfully used for the quantification of trace acrylamide in fried foodstuffs such as French fries and potato crisps.
Comparison of hydrodistillation-headspace liquid phase microextraction technique with hydrodistillation for determination of volatile compounds of Echinophora Cinerea
:
. Bpy< Q. B ,8 E [!b . :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:Hydro-distillation (HD) and hydrodistillation-headspace liquid phase
microextraction (HD-HLPME) techniques were compared to each other for extraction and analysis of volatile components of Echinophora Cinerea,
m
followed by gas chromatography–mass spectrometry (GC-MS). Effective parameters of the both techniques were studied and optimized. 3 µL of heptadecane containing 1% of n-dodacane (as internal standard) was used for HD-HLPME. Comparison of this method with hydro-distillation alone showed that this technique is powerful, fast, simple, inexpensive and effective for the analysis of volatile compounds of aromatic plants. Major compounds which were extracted and identified for Echinophora Cinerea by HD-HLPME were alpha flandern (68.97%), beta flandern (9.0%), alpha pinen (13.51%), p-cymene (4.2%) and myrcene (1.51%) where as the main constituents of the components extracted by HD, includes alpha flandern (56.95%), beta flandern (8.0%), alpha pinen (19.07%), p-cymene (4.25%), myrcene (1.5%), carvachrole (2.8%) and linalool (2%).
Analysis of thermo–oxidative degradation products of polyvinyl chloride by means of headspace liquid phase microextraction – gas chromatography / tandem mass spectrometry
:
.. W. Bpy< Q. B75J 'TZ. :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:A novel and simple method has been developed for the identification
of the released volatile organic compounds (VOC’s) generated in the thermal degradation process of the polyvinyl chloride (PVC) in air at various temperatures. Headspace liquid-phase microextraction (HS-LPME) was used as sample preparation technique prior to the determination of the volatile organic compounds by gas chromatography–tandem mass spectrometry (GC–MS2). The polymer sample was placed in a 10 mL vial and heated for a pre-defined time at a fixed temperature and was allowed to be cooled to room temperature. After then, a 3 µL of n-hexadecane was used as extracting solvent from polymer’s headspace. The microdrop was subsequently injected into the GC–MS for separation and determination of extracted VOC’s. The extraction parameters, such as the type and volume of extracting phase, extraction time, extraction temperature, sample weight, and the vial volume were studied and optimized. Identification of the released compounds in headspace, were done by both assignment of the mass spectra of each fraction, as well as retention times, for major
m_
compounds. The main degradation products were founds to be homologous series of aromatic compounds.
Imprinted polymer particles for iron uptake: synthesis, characterization and analytical application
:
.. W. Bpy< Q. B75J 'TZ. :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:This work reports the preparation of molecularly imprinted polymer
particles for selective extraction and determination of iron ion from aqueous media. Polymerization was achieved in a glass tube containing Fe, morin, 4-vinylpyridine, ethyleneglycoldimethacrylate, 2,2′- azobisisobutyronitrile. The polymer block obtained was grounded and sieved and the Fe -morin complex was removed from polymer particles by leaching with 2 M of HCl. The polymer particles both prior to and after leaching have been characterized by IR and DSC studies. The effect of different parameters, such as pH, adsorption and desorption time, type and least amount of eluent for elution of complex from polymer were evaluated and optimized. The limit of detection of the proposed method was 3.1 µg L-1. A dynamic linear range of in the range of 25 to 200 µg L-1 was obtained. The relative standard deviation was less than 8.8%. The method was applied to the recovery and determination of iron in a few different real samples.
Gas chromatographic-mass spectrometric determination of volatile components of Carum Copticum seeds using microwave assisted headspace solvent microextraction
:
< Q. B75J 'TZ.y;< E- E- . py :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:A novel extraction and sampling technique is introduced and applied
for the determination of selected volatile components of Carum Copticum
mh
plant seeds. The method is a combination of microwave assisted extraction (MAE) and headspace solvent microextraction (HSME). Gas chromatography-mass spectrometry is used for the qualitative analysis and quantitation of extracted components. Extracting solvent used in this investigation was a 2-µL droplet of dodecane containing benzophenone as internal standard. Microwave power, extraction temperature and extraction time which are parameters which has influence on MAE was examined and optimized. Moreover, parameters affecting HSME; such as nature of extracting solvent, microdrop volume, temperature of extracting solvent, sample temperature, extraction tome and effect of ionic strength of the sample were also fully optimized. For analytes studied, the limits of detection were in the range of 10 to 90 ppq with a relative standard deviation below 9%. High sensitive analysis of Pb in tea by dispersive liquid-liquid microextraction combined with ultraviolet-visible spectrometry
:
7R# py< Q. :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:Dispersive liquid-liquid microextraction (DLLME) has been
combined with microvolume ultraviolet-visible (UV-vis) spectrophotometry and introduced for the determination of ultra trace amounts of Pb. The proposed procedure consisted of a 500 µl methanol as disperser solvent containing 32 µl of dithizone with a concentration of 5×10-5 mol.L-1 as chelating reagent dissolved in extraction solvent carbon tetrachloride. Dispersing solvent was injected by a syringe into the 5.0 ml of aqueous sample which was continuously agitated. After extraction for a predefined time and centrifugation (5000 rpm at 2 min), a pink phase was sedimented at the bottom of the conical tube (17±1µl). A 15 µl portion of this phase was taken and rapidly inserted into a quartz microcell. After then, absorption of the resulted complex was determined by a UV-vis spectrophotometer at 530.0 nm. Factors relevant to the microextraction efficiency, such as the kind of extraction and dispersive solvent type and volume, pH of sample solution, concentration of chelating agent, ionic strength of the sample solution and extraction time were studied and optimized. Under the optimum conditions, the enrichment factor of this method for lead was
j
reached to several hundred times with a detection limit at sub ppb. The method was successfully applied to the determination of Pb in water, tea and rice samples. Determination of acetone in milk by headspace solid-phase microextraction and gas chromatography
:
-'b "R py< Q. :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:Acetone can be formed in milk by a variety of mechanisms. One of
the most common causes for creation of this compound is exposure to light. It is estimated that exposure of milk samples to fluorescent lights in the supermarket dairy case is responsible for the development of acetone and other off-flavors in rancid milk samples. In the current study, a facile headspace solid-phase microextraction (HS-SPME) procedure using a commercial fiber coated with 100 µm polydimethylsiloxane (PDMS) was employed for the extraction of low ppm levels of acetone in milk samples. The main factors affecting the HS-SPME, such as extraction temperature and time, desorption temperature and time, the acidity and salt concentration of the sample, were considered and optimized. Relative standard deviations (RSDs) for quintuplicate analyses at three concentration levels of 0.50, 10 and 25 mg/L ranged between 4.31 and 18.4%. The method also showed good linearity in a range from 0.20 to 40.0 mg/L with correlation coefficients (R2) of 0.989. Limit of Detection (LOD) was better than 0.15 mmol per liter. Recoveries for the analyte in all the samples tested ranged from 83.44 to 112.8%.
k
Determination of copper in aqueous samples by dispersive liquid–liquid microextraction with graphite furnace atomic absorption spectrometry
:
- & R py< Q. :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:A simple and rapid new dispersive liquid–liquid microextraction
technique (DLLME) coupled with graphite furnace atomic absorption spectrometry (GFAAS) was developed for the extraction and analysis of copper from water samples. In this method, a mixture of 80 µL chloroform (extraction solvent) and 1.25 mL methanol (disperser solvent) containing 0.04% (w/v) neo-coproin as extracting ligand is rapidly injected by syringe into the 4.00 mL water sample which is saturated with sodium chloride. In this process, Cu in the water sample has been chelated by neo-coproin and extracted into the fine droplets of chloroform. After centrifuging for 4 min at 4000 rpm, the fine droplets of chloroform are sedimented in the bottom of the conical test tube (18.0±1 µL). The settled phase (10.0 µL) is collected and injected into the graphite furnace atomic absorption spectrophotometer for determination of copper. Some important factors influencing DLLME were studied and optimized, including type of extraction solvent, identity and volume of disperser solvent, extraction time, sample temperature and ionic strength of solution. Under these conditions the enrichment factors more than a few hundreds and extraction recoveries were better than 92%.
Ultra-trace determination of anti-knock gasoline additive methylcyclopentadienyl-manganese tricarbonyl in environmental samples by headspace liquid phase microextraction-electrothermal atomic absorption spectroscopy
:
D. py< Q. ... - :16th Iranian Seminar of Analytical Chemistry :
6 :%! +. )*++ :
:A novel method based on headspace liquid-phase microextraction
(HS-LPME) combined with electrothermal atomic absorption spectrometry (ETAAS) has been introduced and applied for the ultra-trace determination of methylcyclopentadienyl manganese tricarbonyl (MMT) in environmental samples. This compound is mainly used as an anti-knock gasoline additive and can be spread in environment easily. Main parameters affecting microextraction efficiency (such as type and volume of the extraction solvent, agitation of the sample, extraction time, sample volume and ionic strength of sample solution) and ETAAS signal (such as drying, ashing and atomization temperature and time), were studied and optimized. Moreover, a short ashing stage at 200 oC was found to be necessary to reduce background absorption and to prevent loss of the analyte prior to atomization. Under these conditions, detection limit (as Mn) based on the 3Sb criterion was calculated to be 0.2 ng. Good linearity from ten times of the LOD up to 110 µg.L-1 was obtained for MMT determination, with correlation coefficient of 0.9983. Relative standard deviation for five replicate measurements of 80 µg.L-1 of the analyte was obtained as 5.1%. Relative recoveries at three spiking levels (i. e. 20, 50, and 100 µg.L-1) were determined as the ratio of the concentrations found in environmental sample and deionized water samples, spiked with the same amount of analytes and found to be better than 91.2%.
i
The synthesis of arylsulfonates from primary carbamates :
. 7;R . 2R Be! (-. ER :> F '&<6 !: B :
6W 2 1 :Gv /q! GH. )*++ :
:Sulfonic esters are important intermediates in organic synthesis and
are suitable precursors for sulfonamides and act as alkylating reagents [1]. In addition, various sulfonic esters inhibit interesting pharmacological properties [1-3]. The reaction of sulfonyl chlorides with alcohols in the presence of a base provides a well-established access for alkyl sulfonates [1-4]. The tosylation (sulfonylation) of alcohols is a common transformation which is often used to facilitate subsequent nucleophillic substitution reactions. A number of alcohols have been routinely converted to the corresponding arenesulfonates by using a variety of conditions, yet the preparation is not troublefree. As an example, it have been observed the formation of pyridinium salts in routine tosylation reactions in which pyridine is used as a base resulting in a concommitant loss of the desired tosylate [3]. However, the capability of α-elimination to form sulfenes is a serious drawback. Other methods include the reaction of sulfonic acids with orthoformates and other electrophiles such as epoxides, aziridines, solid-phase bound primary triazenes and diazoalkanes [3]. Dauvergne and coworkers have recently reported unprecedented observation of sulfonamides in the transesterification of N-unsubstituted carbamates with sulfonyl chlorides in dioxane at 90-95 oC [5]. Sulfonamides have been identified as by-products in the base-mediated transesterification of N-unsubstituted carbamates with sulfonyl chlorides to give the corresponding sulfonates. They also proposed a mechanism for the synthesis of arylsulfonates. We have recently reported several methods for the conversion of compounds containing hydroxyl group to primary carbamates at room temperature in the absence of solvent using solid acids [6-8]. Now, we wish to report preparation of arylsulfonates from primary carbamates by different experimental conditions and mechanism from what was presented by Dauvergne and coworkers [5], Scheme.
O NH2Ar
O
Ar'SO2Cl Et3NEtOAc, r.t.+ ArOSO2Ar' Et3N+H-OCN+
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Silica Sulfur Acid as Effective Catalyst for Preparation of primary O-Thiocarbamates under Solvent-Free Condition
:
& !-& 6 e! (-. E :International Symposium on Catalysis and Fine Chemicals :
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Fe-Mn bimetallic catalyst prepared by fusion technique: operating conditions and characterization
:
Bp2. "< /y" e. B-A e< :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:The synthesis of liquid fuels from coal-derived syngas via Fischer-
Tropsch synthesis (FTS) reaction is one of the most important processes to solve shortage of transport fuels [1,2]. In the FTS process, the conversion of syngas over a catalyst is one of the most pivotal steps. Consequently, choosing a suitable catalyst is very important. Iron based catalysts have been used as commercial catalysts for FTS to produce a wide range of
m
paraffinand olefin products, ranging from methane to high molecular weight waxes [3,4]…
The Preparation and study of impregnation synthesized Fe/Mn/Al2O3 Fischer-Tropsch catalysts
:
Bp2. "< /y" e. B-A e< :6 Q. F '&< 2 :
6;'b 1 :GfgG*/;"- )*++ :
:The conversion of syngas (CO+H2 mixtures) into liquids, and more
specifically clean fuels and chemical feedstock via Fischer-Tropsch (FTS), is currently of increasing interest. This catalytic synthesis leads to a wide variety of products, whose abundance depends on the catalysts employed, as well as on operating conditions [1,2]…
Determination of Nitrite by Potentiometric Method Using 1,4-Dihydroxy Anthraquinone
:
qb eX. `T. (J 6a. BR 2- eX. :6 9! 7 @( -&( 9 :
69(< 1 :G$gG*.0 )*++ :
Comparison of Electrochemical Oxidation of Ascorbic Acid with Different Carbon Paste Electrods Modified by Tetyaheptylammonium Iodid, I2 and Tetraheptylammonium Iodid- I
:
<0 . `T. (J 6a. BR 2- eX. :6 9! 7 @( -&( 9 :
69(< 1 :G$gG*.0 )*++ :
A Comparative Study about the Effect of Chlorom ercuriferrocene On the Simultaneous Electrochemical Detection of Dopamine, Ascorbic Acid and Uric Acid
:
"< E- `T. (J 6a. BR 2- eX. :7>W0 -&( > 6 :
6 :%! +. )*++ :
Modification of the glassy carbon electrode with Multi-walled carbon nanotube/1,4-dihydroxy anthraquinone /chitosan as a potentiometric pH sensor
:
2- eX.qb eX. `T. (J 6a. BR :6 7>W0 -&( > :
6 :%! +. )*++ :
Determination of free cyanide with a novel glassy carbon electrode modified with copper nanoparticles/multi-walled nanotube
:
<; ;. `T. (J 6a. BR 2- eX. :6 7>W0 -&( > :
6 :%! +. )*++ :
Simultaneous voltammetric detection of ascorbic acid, dopamine and uric acid with nano-silver hexacyanoferrate coated multi-walled carbon nanotubes
:
-P# `T. (J 6a. BR 2- eX. :6 7>W0 -&( > :
6 :%! +. )*++ :
Electrocatalytic determination hydrazine with modified glassy carbon nanotube and chitosan
:
&.. /' `T. (J 6a. BR 2- eX. :6 7>W0 -&( > :
6 :%! +. )*++ :
Determination of two nitroaromatic compounds by modified glassy carbon with multi-wall carbon nanotube, 1,4-dihydroxy anthraquinone and chitosan
:
a. BR 2- eX.qb eX. `T. (J 6 :6 7>W0 -&( > :
6 :%! +. )*++ :
Application of silver hexacyanoferrate nanoparticles for electrochemical detection of free cyanide
:
-P# `T. (J 6a. BR 2- eX. :6 7>W0 -&( > :
6 :%! +. )*++ :
Electrochemical study of modified glassy carbon electrodes with multi-wall carbon nanotubes and different anionic and cationic polymers: Application for determination of ascorbic acid
:
<0 . `T. (J 6a. BR 2- eX. :6 7>W0 -&( > :
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A New Modified Carbon Nanotube Paste Electrode Using Chloromercuriferrocene for Simultaneous Determination of Uric Acid Ana Ascorbic Acid
:
"< E- B`T. (J 6a. BR 2- eX. -P# :6 9! 7 @( -&( 9 :
69(< 1 :G$gG*.0 )*++ :
Validation of microwave digestion method for determination of mineral contents in Otostegia Persica
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:The continuum of quasars in the Lyman-alpha forest is not obvious
specially at low spectral resolution and high redshift where there is little unabsorbed continuum remaining. We discuss different methods to derive the continuum of quasar spectra in the Lyman-alpha forest. This is a crucial step toward deriving the mean absorption of the IGM and its evolution with redshift and therefore toward normalization of N-body simulations.
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completed the Iranian version of the WHOQOL-BREF questionnaire consisting of four domains: physical health (seven items), psychological well-being (six items), social relationships (three items), and environmental support (eight items); and two overall QOL and general health items. The score mean of overall QOL, general health, and all four measured domains obtained from female sample were found higher than the score mean of the same measured variables in the male sample. However, the results of independent t-test comparing the mean score indicated only significant differences between male and female students for following variables; overall QOL, general health, social relationships, and environmental support. On the whole, our results indicated that, the Iranian version of WHOQOL-BREF was deemed to be reliable in assessing the quality of life of a student population in Iran.
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Methodological sources of bias affecting on subjective well-being
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f% >%$K 0>; :IX ISQOLS Conference :Italy :19-23 July 2009 :
:Introduction Several types of biasing from different sources,
methodology, personality, and culture-related biases, may affect on SWB measurements. A brief taxonomy of some of these biases, more specifically, response format-related biases, that are considered to affect measurements of SWB is presented here. Method A sample of volunteering students (N=1208),randomly assigned to twelve different conditions, to investigated the effects of variations in response format, differing in polarity (bipolar/ unipolar), scale orientation (horizontal versus vertical) and anchoring (-5 to +5, Not Numbered, and 0 to 10) on: (1) Subjective Well-being (SWB), and (2) using structural equation modeling (SEM), on the development and evaluation of a hypothesized model, life domains ratings (LDR), to find whether or not components of the measurement model, LDR model, are invariant across particular groups (here scores derived from different response formats). Results A negative skew was found for all response formats, but, a higher percentage of respondents scored in the upper part (Midpoint to top) of the scale with anchor points (−5 to +5) than on the scales with other anchor points (Not Numbered and 0 to 10). Our results of conducting multiple group invariance across different response formats, suggest that when using only vertical but not horizontal rating scales with different type of anchor-points, a variant in the factor loadings can appear across different groups. Conclusions Our findings suggest that the language used in a rating scale plays a small but significant role in how the rating scale is interpreted. . Moreover, the kind of response format used for subjective well-being (SWB) may affect the factor loadings when using the confirmatory factor analysis (CFA).
d
A Survey on the Relationship among Sexual Self-Schema, Gender Satisfaction and Overall Satisfaction with Life: A Comparison of Male and Female Undergraduate Students
:
3 z& f% >% :IX ISQOLS Conference :Italy :19-23 July 2009 :
:A sample of 125 volunteering first-year under graduate students was
obtained at the USB (University of Sistan & Baluchestan), Zahedan, Iran, (72 Female (mean age=18.64),53 Male (mean age=20.12), were asked to rate their current overall satisfaction with life, Sexual Self-Schema, and gender satisfaction, on two instruments; Bem Sex Role Inventory, (an instrument used to measure gender role perceptions), and a self-report rating scale ( including two single global questions for measuring for measuring gender satisfaction, and overall satisfaction with life. Results: The results of independent t-test comparing the mean rating of overall satisfaction with life indicated non-significant difference between female and male students. However, a significant difference was shown between male and female on rating gender satisfaction (with higher mean for male students). Finally, our results indicated that only a significant correlation between gender satisfaction and overall satisfaction for female but not male students. Conclusion Our results suggest that the role of gender satisfaction, as an important life domain, on overall satisfaction with life in Iranian female students, and it seems that the cultural factors can explain well these findings.
d
Structural equation modeling to predict life domain and subjective quality of life ratings
:
$K 0>; 5f% >% :IX ISQOLS Conference :Italy :19-23 July 2009 :
:The current study was done to evaluate two hypothesized models of
life domain ratings (LDR) and subjective quality of life (SQOL), using structural equation modeling (SEM). Participants A sample of 301 volunteering students rated their overall life (dis)satisfaction and their (dis)satisfaction with six different life domains. Materials and procedure OSWL, ODWL, and (dis)satisfaction in different domains of life were measured by a questionnaire consisting of 14 items. Two items assessed OSWL and ODWL and the next 12 items assessed satisfaction (6 items) and dissatisfaction (6 items) in six different domains of life including; physical health (Phy. dom.), psychological well-being (Psy. dom.), social relations (Soc. dom.), leisure (Lei. dom.), financial situation (Fin. dom.) and student life (Stu. dom. Results The results of a confirmatory factor analysis (CFA) support a six-factor model of LDR based on satisfaction or dissatisfaction items. Moreover, our results indicated that, the proposed model of SQOL fit the data well, and is able to predict overall subjective quality of life. Finally using hypothesized model SQOL, overall life satisfaction and overall life dissatisfaction ratings can be predicted as two separate variables by subjective quality of life
dr
WHOQOL-BREF to Measure Satisfaction with Life Overall and Satisfaction with Specific Life Domains: A Comparison of Male and Female Undergraduate Students
:
f% >% :IX ISQOLS Conference :Italy :19-23 July 2009 :
:Introduction The WHOQOL-BREF is one of the best known
instruments that has been developed for cross-cultural comparisons of quality of life and currently it is available in more than 40 languages. As there is no available literature reporting Iranian student’s norms for the WHOQOL-BREF on Iranian student, the present study provides some preliminary estimates of student’s norms and some psychometric properties of WHOQOL-BREF. Participants A sample of 1000 volunteering students, 510 females (mean age=20.43) and 490 males (mean age=21.28), was obtained at university of Sistan and Baluchestan, were participated in this study. Materials and Procedure WHOQOL-BREF was used to assess the QOL by which provides measures for four domains concerning to quality of life. Results The score mean of overall QOL, general health, and all four measured domains obtained from female sample were found higher than the male sample. However, significant differences between male and female were shown only for overall QOL, general health, social relationships, and environmental support. Conclusions Our finding indicated no floor or ceiling effect for the QOL, general health facets and the 4 domains. However, the percentage of missing replies to item 21 (“How satisfied are you with your sex life?”) was a little high compared with those for other items. Finally, sufficient reliability was observed, and the Iranian version of WHOQOL-BREF was deemed to be reliable in assessing QOL of a student population in Iran.
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:ت هاي جامعه اطالعاتي، به عنوان يكي از نشانه1يالكترونيكتجارت بـر ابعـاد مختلـف2 اطالعاتثير فناوريأ ناشي ازو كار است مي اين.كسب و اثربخشي فعاليتهظتواند سهم قابل مالح فناوري و كار ايفـا نمايـد اي در افزايش كارايي . هاي كسب
سـازي ايـن فنـاوري در هايي براي پياده ها تالش كه در اغلب كشور باعث شده است فناوري اطالعات گيري منافع حاصل از بكارگذاري رغم سرمايه هاي آغازين در اغلب كشورها با اين چالش عمده مواجه است كه علي اما اين تالش. انجام شود مختلف صنايعو نفوذ كاربرد مختلف صنايع ب فناوري اطالعات هاي متنوع در اين فناوري، گسترش و بـه پـذيرده كندي صـورت مـي در صنايع،
.عبارت ديگر نرخ پذيرش فناوري در صنايع پايين است
1E-Commerce 2Information Technology (ICT)
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Wagf as a social entrepreneurship model in Islam :
&' ... #$0 :Conference on Business and Economic Research :
H, :8z 83K 6:;; :
:By the end of twentieth century and beginning of the third millenary,
social entrepreneurship emerging has been found as a completion part of commercial entrepreneurship and governmental entrepreneurship.In religious Schools, especially inspired School of Islam, noble human values and moral teaching of cooperation, Support a suitable depth to dispose of the social entrepreneurship and goodwill action. Tradition of philanthropically alms, Ehsan and charity are going to be dealt with in this article . Rich culture of Islam Inspired by the values of the friendship, cooperation and voluntary participation in the various spiritual and material activities Self-sacrifice and personal property and allocation it to public affairs and social welfare under the name of wagf, specificity unique Islamic
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almshouses or social entrepreneurship in Islamic countries . The current article with micro antipathetic descriptive and analytical approach, dedicated to explain the Islamic and sustainable social entrepreneurship model for development and social welfare programs.
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Digital Gap Iranian Rural Areas (Case Study at Sistan and Baluchestan-Iran)
:
/#$0 ), &' /#%14 ?% :International Conference on Business and Economic Research :
H, :8z 83K 6:;; :
:In this paper we have tried to evaluate four levels of accessibility
(motivational level , physical level, professional level, and applied level ) related to digital gap in rural areas at Sistan and Baluchestan in Iran. First of all we expressed the concept of digital gap and its measurement we explained all four level in details . After that we came up with research model hypothesizes and the results of the statistical hypothesizes .Our
|
findings show that rural areas in Sistan and Baluchestan in term of motivational level are in good and suitable situation but in term of other levels they don’t have a suitable situation
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Implementing Statistical Multiplexing in DVB-H : !Imed Bouazizi Moncef Gabbouj :
International journal of Digital Multimedia Broadcasting :"#$"%$ ID :
2009 : :
A novel technique for implementing statistical multiplexing (StatMux) of broadcast services over Digital Video Broadcasting forHandhelds (DVB-H) channels is proposed. DVB-H uses a time-sliced transmission scheme to reduce the power consumption used for radio reception part in DVB-H receivers. Due to the time-sliced transmission scheme, the implementation of known StatMux methods for DVB-H application presents some challenges which are addressed in this paper. The proposed StatMux technique is implemented in conjunction with the time-slicing transmission scheme. The combination is similar to a time division multiplexing (TDM) scheme. The proposed StatMux method considerably decreases the end-to-end delay of DVB-H services while it maximizes the usage of available bandwidth. Moreover, the proposed method can effectively decrease the channel switching delay of DVB-H services. Simulation results show a high performance for the proposed StatMux method.
Detection, Identification and Tracking of Flying Objects in Three Dimensions Using Multistatic Radars
:
& ' ( )* !+, -. :International Journal of Communications, Network and System Sciences
:
# :"//0 :
:Multistatic radar systems can be used in many applications such as
homeland security, anti-air defense, anti-missile defense, ship’s navigation and traffic control systems. Multistatic radars, which are capable of detecting and tracking flying objects in three-dimension coordinate systems, are simulated in this paper. The location and velocity of flying objects as
well as their radar cross sections are computed. The object’s path is also estimated by tracking the object.
A wideband aperture-coupled microstrip antenna for S and C bands
:
! ,1 )* 234 * 2'5 67 :Microwave and Optical Technology Letters :8$ :"//0 :
:This article presents a multilayer aperture-coupled microstrip
antenna with a nonsymmetric U-shaped feed line. The antennna structure consists of a rectangular patch which is excited through two slots on the ground plane. Experimental results show that the antenna has VSWR < 2 from 2.6 to 6.8 GHz (89%) and the gain of the structure is >7 dB from 2.7 to 4.5 GHz (50%).
A direct synthesis approach to the PI tuning problem with application to a distillation column
:
!" #$% &' ( $ :The 6th International Chemical Engineering Congress & Exhibition
:
)% :*+ , *-./ 0122 :
:Based on the direct synthesis approach, this paper presents a simple
PI tuning method. In the direct synthesis method, the controller is designed in such a way that a desired closed-loop transfer function is obtained. First, the process is approximated by an over-damped second-order plus dead time model. Considering a step change in the setpoint, it is shown that the desired step response can be obtained by suitably choosing the controller gain. Also, a good trade-off between performance and robustness can be achieved if the controller gain is appropriately adjusted. Illustrative examples including a practical application demonstrate the performance of the proposed method.
Dual Composition Control of a Distillation Column Using Proportional-Integral-Plus (PIP) Control
:
&' ( $ !" #$% :The 6th International Chemical Engineering Congress & Exhibition
:
)% :*+ , *-./0122 :
:The paper presents a control formulation termed Proportional-
Integral-Plus (PIP). The PIP is considered as an extension to PI and PID control, but with additional feedback and input compensators. Using special kind of the Non-Minimum State Space (NMSS) model with integral-of-error state makes the controller simpler in using regulator optimal control to find State Variable Feedback (SVF) for both set-point tracking and regulation control scheme. Furthermore, it is a Multi-Input Multi-Output (MIMO) control system and there is no restriction on the number of controlled variables. Using past values of inputs and outputs as states, there is no need
3
for state observer as it is common in optimal control and therefore input output data can be used in parameter estimation as linear time invariant (LTI) or time variable parameter (TVP) models. The structure of this controller is something like a PI controller with excess gains to compensate the effects of high order transfer function of the system. Control of a simulated “depropanizer” demonstrates the performance of this controller.
Low-Complexity VBR Controller for Spatial-CGS and Temporal Scalable Video Coding
:
4& :Picture Coding Symposium :
:6-8 May 2009 :
:This paper presents a rate control (RC) algorithm for the scalable
extension of the H.264/AVC video coding standard. The proposed rate controller is designed for real-time video streaming with buffer constraint. Since a large buffer delay and bit rate variation are allowed in this kind of applications, our proposal reduces the quantization parameter (QP) fluctuation to provide consistent visual quality bit streams to receivers with a variety of spatio-temporal resolutions and processing capabilities. The low computational cost is another characteristic of the described method, since a simple lookup table is used to regulate the QP variation on a frame basis.
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FPGA- based Direct Digital synthesis with flying adder :
NW ]&I7 c k, ]! Nj7% &I (J K :The 2009 IEEE Regional Symposium on Micro and Nano Electronics
:
Malaysia :10-11 August 2009 :
:This paper presents a new simple DDS system that doesn’t need any
external clock sources. A conventional DDS is combined with Flying-Adder frequency synthesizer to remove external clock source. The proposed system gets only two N-bit digital word for producing sin/cos signals. This method is also caused to achieve a wide range signals in DDS’s output. The design implements on Xilinx FPGA, Virtex4 (4vfx12sf363) board. Gate estimation and power analysis are performed by Xilinx ISE 8.1 software.
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Numerical Investigation of Rectangular Dielectric Resonator Antennas (DRAs) Fed by Dielectric Image Line (DIL)
:
:7' 8 Nj7K ];W 7 :Proceeding of progress in Electromagnetic Research Symposium
:
Moscow :18-21 August 2009 :
:In this paper Rectangular Dielectric Resonator Antennas (RDRA)
fed by Dielectric Image Line (DIL) which is excited through a narrow slot on the ground plane is numerically investigated. The antenna structure is studied based on the Finite Element Method (FEM) using High Frequency Structure Simulation (HFSS) package. The e®ects of the slot size are considered on the radiation performance of the antenna. Results show that the optimum length and width of the slot, for 7 dB gain at 10 GHz, are 3.7mm and 0.144mm respectively. The return loss and radiation patterns of the antenna are also provided for a speci¯c DRA.
g
Numerical Investigation of Rectangular Dielectric Resonator Antenna Array Fed by Dielectric Image Line
:
o >8' :7' ]8 Nj7K ];W 7 :IEEE CEM'2009 Computational Electromagnetics International Workshop
:
> :July 2009 :
:In this paper a single rectangular DRA structure fed by Dielectric
Image Line (DIL) through a narrow slot is numerically investigated. A 3-element RDRA array is also studied based on the Finite Element Method (FEM). The effects of the slot size and ground plane width are studied on the radiation performance of the DRA. Results show that for a single DRA 7.7 dB gain at 10 GHz is obtained with a broadside radiation pattern. For the DRA array maximum gain of 10.2 dB is achieved which is 44.68 percent higher than the gain of the single element.
Comparative Investigation of Dielectric Image line-Slot and Micro strip-Slot Coupled Rectangular Dielectric Resonator Antenna
:
:7' 8 Nj7K ];W 7 :Oral prerentation and publication at the 51st international symposium ELMAR
:
:28-30 September *||- :
:Two Dielectric Resonator Antenna (DRA) structures, Dielectric
Image Line-slot and Microstrip-slot fed, are numerically investigated using two commercial software, HFSS and CST. Radiation characteristics of both antennas including return loss, radiation patterns and gain variation versus frequency are presented and compared for two DRAs. The effects of ground plane loss and dielectric loss on the radiation performance of the antennas are investigated. The results show that DIL-slot fed DRA has lower loss compare to the microstrip-slot coupled DRA at 9.9 GHz.
On the application of multistatic radars in detection, indentification and tracking of flying objects
:
&' ( $ kW ];O >,Z :International Radar Symposium :
.,/ :9-11 Septamber 2009 :
:Multistatic radar systems may be used in many applications such as
homeland security, anti-air defense, anti-missile defense, ship's navigation and traffic control systems. In this paper, a multistatic radar including one transmitter and two receivers, which can detect and track a flying object in the surveillance area of the radar system in three dimensions, is studied and simulated. To identify the kind of flying object, the location and velocity of object as well as the Radar Cross Section are computed using the “Frii’s formula” and the “Doppler effect”. Moreover, the object's path can be determined by tracking the object.
Multistatic radar design using multiobjective optimization :
&' ( $ kW ];O >,Z :International Radar Symposium :
.,/ :9-11 Septamber 2009 :
:Using multiobjective optimization technique, a multistatic radar
system is designed in this paper. The design method aims to obtain the location of radar sites to provide good signal to noise ratio and good coverage area. First, the design problem is formulated as a multiobjective optimization problem. Then, it is solved and optimal radar locations are determined.
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Catalytic Dehydration of Methanol to Dimethyl Ether Catalyzed by Aluminum Phosphate Catalysts
:
! "# $% &'( &)*+ $), :Energy & Fuels :-. :-//0 :
:A series of solid-acid catalysts with different content of components
was prepared using the coprecipitation method. These samples comprised modified γ-AL2O3 with phosphorus. The effects of various contents of phosphorus (Al/p ratio from 0.5 to 3) have been investigated to determine an optimum one. The sample were characterized using BET. TGA. XRD, and NH3-TPD techniques and were also tested in a fixed-bed flow reactor under the same operating conditions (7= 573 K, P=16 barg , WHSV=26.07 h-1). according to the experimental results.phosphorus-modified catalysts have shown better performance compared to pure γ -alumina. It was found that surface areas increase with an increase in the molar ratio of aluminum-to-phosphorus. It was observed that aluminum phosphate samples with acidic sites whose acidity is very weak and/or moderate exhibit the best catalytic performance and stability. The sample with molar ratio or Al/P = 1.5 have exhibited the best activity for methanol dehydration.
Relationship between surface acidity and activity of solid-acid catalysts in vapour phase dehydration of methanol
:
! "# $% &)*+ $), &'( :Fuel Processing Technology :0/ :-//0 :
:A series of solid-acid catalysts comprised of γ-alumina and modified γ-alumina with different of silica were prepared by co-precipitation method. The catalysts were characterized using XRD. TGA, NH3-TPD and BET techniques. Dehydration of methanol to dimethyl ether (DME) un solid-acid catalysts was studied in a fixed-bed reactor at the same operating conditions (T=300 *C, P = 16 bar, WHSV = 26.07 h-1). According to the experimental
122
results, silica-modified catalysts have shown better performance compared to the pure γ-alumina. It was found that surface areas increase with increasing silica loading. The results of NH3-TPD analysis showed that the surface acidity of aluminosilicate catalysts increases with increase in SiO2/AL2O3 molar ratio. Also it was found that the catalysts with highest portion of weak and/or moderate acid sites exhibit the best catalytic performance and stability. The sample with 3 wt.% silica loading has exhibited the best activity for methanol conversion.
An Experimental and Theoretical Investigation on Thermal Performance of a Gas-Liquid Thermosyphon Heat Pipe Heat Exchanger in a Semi-Industrial Plant
:
34 % 5* ! & ! &$6 75 8)9 :Iranian Journal of Chemical Engineering :Vol : No ٣ :-//0 :
:Waste heat recovery is very important , because it not only reduces
the expenditure of heat generation , but also it is of high priority in environmental consideration , such as reduction in greenhouse gases . One of the devices used in waste heat recovery is heat pipe heat exchanger . An experimental and theoretical research is carried out to investigate heat performance of an air to water thermosyphon heat pipe heat exchanger according to €- NTU method . The experiments were done according to the following procedure : cold waater with 0.1 kg / s flows through the condensation section and hot air in a closed cycle is blown into the evaporation section . A blower with varying frequency of current turns in the mass flow rate between 0.14 – 0.6 kg/ s and a temperature range of 125-225 °c . The results of the experiments show that as the ratio of c / c rises . the rate of heat transfer goes up . The efficiency of the heat pipe heat exchanger remains constant as the temperature of the hot stream goes up , but the amount of heat transferred increases .
12;
Cobalt in Zahedan drinking water : <) &!= $ & ! ...$? @A ,? )*B :
Astronomy & Astrophysics :C- :-//0 :
:Zahedan sity ,the capital of sistan and baluchestan province lise in
one of the most aria are as in southeastern of iran . In this article , the pollution of zahedan groundwater with cobalt was studied . we have measured the cobalt concentration of 10 random wells by flam Atomic Absorption spectroscopy method .The minimum and maximum concentration of cobalt was 0.172 and 0.204 ppm , respectively . These amounts were more than the standard limit ( 0.05 ppm ) . In this region , we can see some anomaly centers with high pollution . we have defined the origin of ground water pollution by obtaining information about industrial , agricultural and animal husbandry activities , and geology and geochemistry of the region . A lot of people use this water for drinking and it could be dangerous for human health.
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CFD simulation of gas-solid bubbling fluidized bed ontaining FCC particles
:
= S'5 )*,9 T &!) L) & ! ! :Korean Journal of Chemical Engineering :-: :-//0 :
:The hydrodynamics of a bubbling gas-solid fluidized bed of 57.4
∝m FCC particles was simulated by usinga state-of-the-art two-fluid model integrating the kinetic theory of granular flow for particulate phase stresses. The overestimation of the bed expansion was resolved by using a suitable scale factor in the drag model as suggested by McKeen and Pugsley (T.R. McKeen, T.S. Pugsley, Powder Technol., 129, 139 (2003)). This study showed that the method was appropriate in simulation of a gas-solid fluidized bed of Geldart A particles at high gas velocities (0.3 to 0.61 m/s). The reduction of computational time especially for simulation of large-scale systems was achieved. The time-averaged local voidage was compared with the experimental data and the trend of varying several parameters on the hydrodynamic of the bed was investigated. The simulation results showed both qualitative and quantitative agreement with the literature.
Effect of ring baffle on hydrodynamics of a gas-solid bubbling fluidized bed by computational fluid dynamics
:
) L) & ! ! = S'5 )*,9 T &! :Journal of Mechanical Engineering Science :Vol --. No C/ :-//0 :
:An Eulerian–Eulerian two-fluid model (TFM) integrating the kinetic
theory for emulsion phase was used to simulate gas–solid fluidized beds. Validation of the model was investigated based on hydrodynamic parameters such as bed expansion ratio, H/H0, gas volume fraction profile, bubble behaviour, and motion of the particles. A good agreement was found between numerical results and experimental values. The model was used to study a bubbling fluidized bed (BFB) including the ring baffles. Predicted
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results show that the ring baffles have an important role in the flow pattern of the bed. Baffles increase the bed expansion height and particle velocities at axial locations on the top of the highest baffle as well as uniform distribution of gas volume fraction between the baffles area. In spite of increasing the dead zones in the bed, ring baffles cause the improvement of mixing and heat transfer in the bed. The present study provides a useful basis for further works on the effect of baffles in BFBs.
Computational fluid dynamic simulation of MVG tray hydraulics
:
)*,9 T !) L) &5)9 V'W :Korean Journal of Chemical Engineering :-: :-//0 :
The flow pattern and hydraulics of a Mini V-Grid valve (MVG) tray
is predicted by using computational fluid dynamics simulation. A 3-D CFD model in the Eulerian framework was used. The simulation results for MVG tray are compared with that of sieve tray. The sieve tray geometry and operating conditions are based on the Solari and Bell’s sieve tray [1]. The MVG tray differs from that of Solari and Bell’s sieve tray solely by the difference in design of available openings for the flow of gas. The simulation results show that the clear liquid height and the pressure drop of MVG tray are lower than that of sieve tray whereas the liquid velocity is higher and contacts of phases are good. The simulation results of sieve tray are in agreement with the experimental data of Solari and Bell [1].
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CFD Simulation of Solid Hold–Up in Gas–Solid Fluidized Bed at High Gas Velocities
:
! ! & = S'5 !) L) &)*,9 T :Chemical Product and Process Modeling :P :-//0 :
:CFD simulation results of gas–solid fluidized bed using 2D
Eulerian–Eulerian approach at high gas velocities integrating the kinetic theory of granular flow are presented. The range of gas velocities are from 0.35 to 2.19m/s. Predicted particle motion and bubble behavior in the bed are consistent with the literature data. Simulation results indicate that Arastoopour's drag model is the best choice for the current system. Laminar flow and turbulent models, standard k-ε and Simonin, are compared at Ug = 2.19m/s. CFD results show that Simonin model can be used at high gas velocities, reasonably. Current model reduces simulations errors compared with previous works. The minimum error is 6.5% and the maximum error is 13% in lower and upper part of the bed in radial direction, respectively.
Numerical Simulation of Hydrodynamics parameters of the Packed Columns: Effects of Geometrical Characteristics on Pressure Drop
:
I= B !) L) &)*,9 T &Z [! *X :World Applied Sciences Journal :\ :-//0 :
12]
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A Survey for the Selection of Control Structure for Distillation Columns Based on Steady State Controllability Indexes
:
? LA b9) :Iranina Journal of Chemical Engineering :Vol No :
-//0 :
:One of the important aspects of distillation control design is the
choice of a good control structure since improper choice of manipulated/controlled variable pairing can lead to poor control performance. In this paper, comparison and selection of structures is mainly based on the plant condition number. Columns with reflux ratios less than unity or greater than five show large condition numbers. For the ratio structures, the results show that double-ratio structures such as the (D/(L+D))(V/B)-structure have smaller values of the relative gain array element ( λ11) compared with single-ratio structures, such as the
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(D/(L+D))V-structure. In addition, the relative values of λ11 corresponding to the values of minimized condition number ( γmin), instead of condition number ( γ), provides a better basis for comparison. It has also been shown that the maximum singular value (σmax) of the relative gain array (RGA) is a good criteria between ratio and non-ratio structures, and also between various ratio structures selection. At a constant reflux ratio, columns with smaller values of σmax show small values of γmin. Finally, a frequency-based analysis is performed for the selection of the appropriate structure. The analyses show that although the DV-structure has a relatively small value of condition number with respect to other structures, the value of λ11 is far from unity. In contrast, ratio structures have λ11 values near unity. Frequencybased behavior of ratio structures show small oscillations at higher frequencies (> 1 rad/min), while the conventional LV-structures show large oscillations for smaller values of λ11 at higher frequencies.
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Effect of Vertical Temperature Gradient on Heavy Gas Dispersion in Build up Area
:
`6 _iJ) &? LA &? 3( :Iranina Journal of Chemical Engineering :Vol : No . :-//0 :
:Dispersion of heavy gases is considered to be more hazardous than
the passive ones because it takes place more slowly. When the gas is accidentally released at ground level or where there are many obstacles in the area it is considered to be a heavy gas. In this paper, based on the extensive experimental work of McQuid and Hanna, the model was tested
12
against two types of experiments: A simple experiment “Thorney Island” and a complex experiment “Kit Fox” in order to validate CFD code. In order to accomplish this validation the multiphase approach was employed. Also, the vertical temperature gradient in the atmosphere was investigated. The investigation of wind speed was done taking factors such as time, height and direction into consideration. In order to reduce the number of elements in the computational domain, a combination of 2D and 3D geometry was utilized. The results showed that the wind inlet correction, as well as the temperature gradient, had a significant influence on gas concentrationrecords.
Study of Parameters Affecting Size Distribution of Beads Produced from Electro-Spray of High Viscous Liquids
:
34 % = S'5 &= &3 :Iranian Journal of Chemical Engineering :Vol : No . :-//0 :
:Electro-Hydrodynamics (EHD) spray is an important process in
many engineering operations such as ink-jet printing, spray drying and atomization (liquid jet in air), dispersion and emulsification (liquid jet in liquid). In this work the method of electrospray was employed to form droplets from a high viscous sodium-alginate solution using constant DC voltage. The droplets were cured in calcium chloride solution to produce solid beads. The main objective was to extend the knowledge of EHD spray to high viscous and non-Newtonian liquids (1000-5000 mPa.s). However, the effects of electric field strength, nozzle diameter, flow rate and concentration of liquid were specifically investigated on the size of the beads. Among the parameters studied, voltage had a pronounced effect on the size of the beads as compared to the flow rate, the nozzle diameter and the concentration of alginate liquid. The size of beads was reduced to a minimum value by increasing the voltage in the range of 0-10 kV. However, within the middle part of this range, an unstable transition occurred from the dripping mode to the jet mode where the size distribution was wide. Increasing the height of fall of the droplets improved the sphericity of the beads, because of the increase of flight time for the droplets to relax before gelation.
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:River bed profiles and depth-averaged velocities are used as basic
data in empirical and analytical equations for estimating the longitudinal dispersion coefficient which has always been a topic of great interest for researchers. The simple model proposed by Maghrebi is capable of predicting the normalized isovel contours in the cross section of rivers and channels as well as the depth-averaged velocity profiles. The required data in Maghrebi’s model are bed profile, shear stress, and roughness distributions. Comparison of depth-averaged velocities and longitudinal dispersion coefficients observed in the field data and those predicted by Maghrebi’s model revealedthat Maghrebi’s model had an acceptable accuracy in predicting depth_averaged velocity.
A new model for calculating the effective viscosity of nanofluids
:
! "#$ :Journal of Physics D: Applied Physics :%& :&''( :
Numerical study of developing laminar forced convection of a nanofluid in an annulus
:
)* ,, *-. :International Journal of Thermal Sciences :%/ :&''( :
:Laminar forced convection of a nanofluid consisting of Al2O3 and
water has been studied numerically. Two dimensional elliptical governing equations have been solved to investigate the hydrodynamics and thermal behaviors of the fluid flow throughout an annulus. Single phase approach is used for the nanofluid modeling. The velocity and temperature profiles are presented in the fully developed region. The axial evolution of temperature, convective heat transfer coefficient and the friction coefficient at the inner and outer walls’ region are shown and discussed. It is shown that the dimensionless axial velocity profile does not significantly change with the nanoparticle volume fraction. But, the temperature profiles are affected by the nanoparticle concentration. In general convective heat transfer coefficient increases with nanoparticle concentration. However, when the order of magnitude of heating energy is much higher than the momentum energy the friction coefficient depends on the nanoparticle concentration. At higher Reynolds numbers for which the momentum energy increases, this dependency on the nanoparticle volume fraction decreases.
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Numerical Study of Flow Parameters and Entropy Generation on a Centrifugal Fan
:
Y. Mercadier :International Journal of Exergy :Vol No :
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:A whole backward-inclined centrifugal fan has been simulated using
three-dimensional elliptic governing equations to calculate the flow field and entropy generation. Dissipation term in the energy equation is not neglected and used to calculate the generation of entropy. The standard k – εturbulence model has been adopted and the numerical model has been validated by experimental results. It is shown that entropy generation could be used to localise the energy losses throughout the machine to improve the efficiency of a well-designed fan. The contours of pressure, velocity, turbulent kinetic energy and entropy generation have been presented at the entrance region, as well as at the blade passage.
Numerical three-dimensional analysis of the mechanism Of flow and heat transfer in a vortex tube
:
*1 23 4,5 6 7, 89: :Thermal science :;< :&''( :
:A fully three-dimensional computational fluid dynamic model is
used to analyse the mechanism of flow and heat transfer in a vortex tube. Vortex tube is a simple circular tube with interesting function and several industrial applications and contains one or more inlets and two outlets. It is used as a spot cooling device in industry The past numerical investigations of vortex tube have been per formed with the two-dimensional axisymmetric assumption but in the present work this problem is studied fully three-dimensional without making that assumption. Using this model, appropriate numerical results are presented to clarify physical understanding
00
of the flow and energy separation inside the vortex tube. It is ob served that there are considerable differences between the results of the two aforementioned models, and that the results of fully three-dimensional model are more accurate and agree better with available experimental data. Moreover, the parameters affecting the cooling efficiency of the vortex tube are discussed.
Inverse radiation problem of temperature distribution in one-dimensional isotropically scattering participating slab with variable refractive index
:
!)5 7, "$7 !"= )5"# 7, :Journal of Quantitative Spectroscopy & Radiative Trasfer :;;' :&''( :
:In this paper, an inverse analysis is performed for estimation of
source term distribution from the measured exit radiation intensities at the boundary surfaces in a one-dimensional absorbing, emitting and isotropically scattering medium between two parallel plates with variable refractive index. The variation of refractive index is assumed to be linear. The radiative transfer equation is solved by the constant quadrature discrete ordinate method. The inverse problem is formulated as an optimization problem for minimizing an objective function which is expressed as the sum of square deviations between measured and estimated exit radiation intensities at boundary surfaces. The conjugate gradient method is used to solve the inverse problem through an iterative procedure. The effects of various variables on source estimation are investigated such as type of source function, errors in the measured data and system parameters, gradient of refractive index across the medium, optical thickness, single scattering albedo and boundary emissivities. The results show that in the case of noisy input data, variation of system parameters may affect the inverse solution, especially at high error values in the measured data. The error in measured data plays more important role than the error in radiative system parameters except the refractive index distribution; however the accuracy of source estimation is very sensitive toward error in refractive index distribution. Therefore, refractive index distribution and measured exit intensities should
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be measured accurately with a limited error bound, in order to have an accurate estimation of source term in a graded index medium.
Inverse boundary design of square enclosures with natural convection
:
4=: 7, )5 7, "$7 !?*@ 3 :International Journal of Thermal Sciences :%/ :&''( :
A An optimization technique is applied to design of heat transfer
systems in which the natural convection is important. The inverse methodology is employed to estimate the unknown strengths of heaters on the heater surface of a square cavity with free convection from the knowledge of the desired temperature and heat flux distributions over a given design surface. The direct and the sensitivity problems are solved by finite volume method. The conjugate gradient method is used for minimization of an objective function, which is expressed by the sum of square residuals between estimated and desired heat fluxes over the design surface. The performance and accuracy of the present method for solving inverse convection heat transfer problems is evaluated by comparing the results with a benchmark problem and a numerical experiment.
Turbulent forced convection flow adjacent to inclined forward step in a duct
:
)5 7, "$7 !)"" !B7 ?C 9$= :International Journal of Thermal Sciences :
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Journal of Thermodynamics : :
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Preparation and Characterization of Chitosan Nanoparticles Using Reverse Micelles
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Extraction of canola oil with supercritical carbon dioxide: Experimental and Modeling
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:In this work extraction oil from canola ( Brassica napus ) seeds with
supercritical CO2 extraction at pressure of 13 to 20 MPa temperature of 308 to 328 k, and particles size 0.15 to 0.6 mm in flow rate 0.9 kg/hr was investigated in a bench scale apparatus, The extraction was modeled by the sovova extended lack’s model. The fluid phase mass transfer coefficient (kf), solid phase mass transfer coefficient ( ks ), and hardly accessible solute (xk ) were a just able parameter of Models. The broken and intact cells model fit the experimental data, quite well, showing the applicability of the model to the supercritical extraction system studied here.
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Nano Haloing in Stabilization of Colloidal Microspheres :
+7 8 3 4)5 6< : "") (' 9. ( :
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:Nanoparticle haloing is a novel mechanism that can create a stable
colloidal suspension with high efficiency as compared to conventional methods. In present study we investigated the effect of titania nanoparticles on stabilization of larger alumina colloidal particles. For this purpose, we employed turbidity measurement and sedimentation tests to determine the optimum pH and nanoparticle weight fraction that can lead to a stabilized system. By increasing the nanoparticle concentration, the stability of these bidispersed systems reaches an optimum condition. However further increasing results in reduction of the colloidal suspension stability. The results showed that the optimum pH and titania weight fraction is 11 and 1wt%, respectively.
Effect of type and concentration of binder on Selectivity and Attrition of formed Co-Mn Fischer-Tropsch Catalysts
:
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:Cobalt-manganese catalyst is widely studied in Fischer-Tropsch
synthesis to obtain light olefins from synthesis gas. However, selectivity and mechanical strength of the catalyst vary depending on its preparation method and type of reactor. The main objective of this paper is to study parameters affecting attrition strength and selectivity of the catalyst. The cobalt-manganese oxide nano-catalysts were prepared using co-precipitation method. The fine powders were then formed using tableting-crushing (pelletizing) process to prepare the catalyst pellets. The unformed and formed catalysts were explored for the conversion of synthesis gas to the
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light olefins in a standard laboratory fixed bed reactorconsidering selectivity to ethylene and propylene. The processing variables investigated were included of type and concentration of binder in pelletizing process. Furthermore, the attrition assessment of catalyst was carried out using a prototype rotary bottle shake system. The results presented in this work revealed that forming the catalyst by 4 wt.% Syton binder led to the maximum selectivity. In the attrition evaluation, it was found that the extent of attrition was the least at the same concentration of binder.
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Adaptive System Control with PID Neural Networks :
;@% J 6. J :The 9 International Conference on Chemical & Process Engineerin
:
Italy :10-13 may 2009 :
:In this paper, PID neural network, which is an adaptive controller,
has analyzed and compared with two other conventional PID algorithms through computer simulation and experimental study. Cancellation and pole placement are the two selected conventional algorithms. In the simulation study, the effects of factors such as non-minimum phase behavior and model changes on the performance of schemes are investigated. In the experimental study, performance of controllers on pressure control of two serial tanks is investigated. Simulation and experimental results demonstrate that PID neural network can be tuned easily and has better performance in compare with two conventional schemes especially in the case of non-minimum phase behavior and model mismatch. However, it has slower dynamic in compare with cancellation algorithm.
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Energy management in water and wastewater network in refineries
:
8 . J 68 , 6%> < :The 6th International Chemical Engineering Congress & Exhibition
:
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:In this paper, simultaneous management of energy and water
systems in single contaminant state was considered in two different conditions: (i) systems with only fresh water usage and (ii) systems with maximum reuse of water. In first mode, situations of individual stream, isothermal stream and non-isothermal stream mixing were investigated. Graphical and conceptual techniques for minimizing the targets have been used. As a case study, the water minimization along with energy-efficient in gas refinery was considered. Fresh water consumption of the refinery is 34 kg/s. Using non-isothermal mixing, number of streams and heat exchangers were decreased, but energy targets were increased. Fresh water consumption of final water network was reduced to 21 kg/s because the Cooling tower as a major water-using operation unit didn’t use fresh water anymore and a single contaminant approach was considered too. The new water network has 1399.2 kw hot utility duty and 962.2 kw cold utility duty
Multi objective optimization of the wate network in an oil refinery using Reuse method
:
. J b< 4"5 6 M;% (J :The 6th International Chemical Engineering Congress & Exhibition
:
. 1@ :CQ ) CO,'* EFGG :
:The key to determine reasonably the contaminants and the limiting
concentrations, which will decide the freshwater consumption and wastewater discharge of the system. As a case study, the water system in an oil refinery is integrated. According to the requirements of each water using
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process on the water used in it, the contaminants and the limiting concentrations are determined. Then, the optimal water reuse scheme is studied based on the water network with internal water mains. Next, multi objective optimization is considered. In the case that objective function is minimization of the fresh water, water usage is reduced by 44% and when objective function changes to simultaneous minimization of fresh water and total cost, water usage is reduced by 47%.
Application of Ant Colony Opimization on Process Control of Ant Colony Opimization on Process Control; FCC Control Structure
:
M;% (J ' ( 6[3 :!@ 6. J 68 :The 6th International Chemical Engineering Congress & Exhibition
:
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:Optimization is an important part of chemical engineering processes,
the same as other branches of science. For a long time, many optimization methods have been used which have some advantages and disadvantages. Ability of the optimization algorithm for implementation in nonlinear problems and polynomial execution time are two important characteristics of an algorithm needed for parameters optimization of PIP controller designed for a Fluid Catalytic Cracking (FCC) unit. Modeling of unit is based on Alvarez-Ramirez but with some modifications. To control this process as a MIMO control structure, transfer function of process defined in a NMSS structure then used the Ant Colony Optimization (ACO) to estimate optimized parameters of weighting matrices. This optimization is based on performance of controller (weighted Sum of Square Error and first derivative of inputs). This paper shows that ACO is a flexible effective algorithm that can be used in all optimization problems.
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Water and wastewater minimization using non-linear programming
:
. J b)7 e3 6b< 4"5 :The 6th International Chemical Engineering Congress & Exhibition
:
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:Water system integration can minimize both the freshwater
consumption and the wastewater discharge of a plant. As a case study, the water system in a chemical plant is integrated. The plant consumes a large amount of freshwater and discharges a large amount of wastewater, so minimization of both the freshwater consumption and the wastewater discharge is very important to it. According to the requirements of each water using process on the water used in it, the contaminants and the limiting concentrations are determined. To reduce the freshwater consumption and the wastewater discharge, decentralized regeneration recycling is considered. After the water system integration, the freshwater consumption is reduced by 31.4%, and the wastewater discharge is decreased about 20%.
Design and Synthesis of Heat Integrated Distillation Sequences (HIDS) for a Separation Plant
:
8 . J 6%> < 68 , :The 6th International Chemical Engineering Congress & Exhibition
:
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:This paper discusses an industrial case study: synthesis of simple
and heat integrated distillation sequences (HIDS) for separation of a multi-component hydrocarbon mixture. The distillation schemes presented in this work employ the heat integration principles to significantly reduce them heat requirements of this plant. This work started from the simulation of the existing plant, by which the parameters of the system were identified. Then,
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all appropriate sequences of simple columns (SC) determined and designed for a non-sharp separation of this mixture. Also, possible cases of heat integrated schemes designed for this plant. After designing all this configurations, comparisons made between different cases from viewpoint of energy consumption, vapour flow rate in columns and finally, the total annual cost (TAC). Then, the best sequence is selected for this separation. Results indicate that a heat integration scheme has the least total annual cost (TAC).
Risk analysis of a distillation column’s feed using Hazop procedures
:
8 6+b &;J 6. J 6<% % 6 :The 6th International Chemical Engineering Congress & Exhibition
:
. 1@ :CQ ) CO,'* EFGG :
:Increasing technological complexity with social and legal pressures
has made it necessary to improve safety systems. This need is particularly strong in the design and operation of chemical plants. Hazard and Operability study (Hazop) is a method of systematically identifying every conceivable process deviation, its abnormal causes and adverse hazardous consequences in a chemical plant.Distillation unit is one of the most important parts of a petroleum refinery. The qualities of a distillation unit’s products are directly affected by feed’s properties. Although a need for improving safety systems of studied refinery’s feed has been recognized, there were less systematical attempts for preventing dangerous accidents. This paper presents a safety analysis for feed using Hazop procedure. Useful recommendations are presented to reduce ecological, personel and asset risk ranking.
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:In recent years, solar cells increasingly are using in the buildings to
supply the part of required electricity. This device must be inclined to receive a larger amount of energy. It is suggested that solar cell must be
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installed at tilt angle equal to location latitude as optimum condition. Solar cell is often installed on the roof of the buildings, where the effect of spatial obstacles shadow is minor. However, this important effect is neglected in the time of installation and there is no evidence of its consideration. Effect of spatial obstacle such as building on optimum location and inclination angle of solar cell was investigated in this study. Modeling results reveal that in the case of obstacle existence in both sides ofthe solar cell, optimum location is near to the lower wall and there is no change in optimum inclination angle.
Experimental study on modified cascade solar still :
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:Provision of fresh water is a major problem in remote areas and arid
zones. Passive Solar still is one of the many apparatus that can be widely used for water purification in mentioned areas when the climatic conditions is fair and the demand is not too large. Passive solar stills are broadly divided into basin and inclined types. In this paper, two cascade solar stills were constructed with and without latent heat thermal energy storage system (LHTESS). Paraffin wax is selected as phase change material (PCM) that acts as a LHTESS. Using weir on each step of stills leads to forced flow of inlet water and increases in its residence time in the stills. Furthermore, a thin layer of water covers completely the evaporation surface and prevents to spots dry upon it. Thermal performances of stills were compared in typical sunny and partially cloudy days. The results showed that nearly the same values of total productivity are obtained for stills with and without LHTESS in sunny day. On the other hand, a significant difference was observed in total productivity when the stills operated in partially cloudy day. Hence, still without LHTESS is preferred for sunny areas because of its simplicity and low construction cost.
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1 +"3 WQ : 88 +7 91 +: :
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wA8$ 83 ' 61 +"3 WQ :International Conference on Water Resources: Emphasis on Regional Development
:
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parameters which can assess hydrological processes with a water allocation system is investigated in this study. There are many complicated hydrological models, but the present hydrological model considers all non-linear effects in hydrological processes for water users with different demands. Current models for water allocation use stream data for boundary conditions and they are not capable of simulating hydrological processes, hence the "WEAP" (water evaluation and planning system) model is used in this study to simulate such complicated processes. The watershed area chosen in this study is in the Sistan & Baluchestan province at the South-East of Iran. The area covers arid and semi arid regions. Water resources management is a fundamental problem in this area. Simulation of these systems helps out to predict the unexpected processes of water balancing in future and make a relevant decision. Two methods for simulating rainfall-runoff in a watershed area are chosen in this study. The first method is based on rainfall-runoff procedure and other is based on soil moisture measurement. The first method which is a simple one, and do not simulate soil moisture and molten snow is called FAO (Food and Agriculture Organization) method. The second method is rather complicated one and simulates subsequence processes, so called soil moisture method. Monthly steps for time steps intervals were selected in this study. The reason for this selection is described. Comprehensive hydrological, physical and environmental components were considered in the simulation process. The climate and hydrological data and physical characteristic parameters were used subsequently to simulate the process.
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Multi-objective weight and eigenperiod optimization of steel moment frames under seismic conditions, using ant colony method
:
+o_ 3 O 2.3 :Eighth World Congress on Structural and Multidisciplinary Optimization
:
Lisbon, Portugal :1-5 June 2009 :
:Ant colony algorithm is employed to find the optimum design of
steel type, Ordinary Moment Resisting Frames (OMRF), under dead loads and earthquake forces calculated from modal spectral analysis. Due to the proportionality of structural Eigenperiod with the resultant seismic loads, multi-objective weight minimization and Eigenperiod maximization are processed. The structure is under strength and serviceability constraints. All design requirements are corresponding to Uniform Building Code (UBC) and Allowable Stress Design (ASD) codes of practice of American Institute of Steel Construction (AISC). Multi-Objective Ant Colony Optimization (MOACO) was applied to obtain a pareto-based optimization solution. Also the Genetic Algorithm (GA) was employed for means of comparison.
Reliability-based- optimization of truss strructures using neuro-fuzzy systems
:
O 2.3 7O + :Eighth World Congress on Structural and Multidisciplinary Optimization
:
Lisbon, Portugal :1-5 June 2009 :
:In this study, an efficient method based on Monte Carlo simulation,
utilized with adaptive neuro-fuzzy inference system (ANFIS) is introduced for reliability analysis of structures.Fast and accurate training of ANFIS has led to determine the most efficient design variables for limit state function prediction. Thus, a sensitivity analysis based ANFIS called quasi sensitivity analysis was developed for determination of most influential design variables. It is then performed with the reduced number of design variables
to estimate the probability of failure. Monte Carlo Simulation is capable of solving a broad range of reliability problems. However, the amount of computational efforts that may involve is the draw back of such methods. ANFIS is a fuzzy inference system implemented in the framework of adaptive neural networks. It is capable of approximating structural response for predicting probability of failure, allowing the computation of performance measures at a much lower cost. In fact, ANFIS derives adaptively an explicit approximation of the implicit limit state functions. A relaxation based method is also proposed to highlight the effective number of training samples and epochs to optimize the ANFIS training.To assess the effectiveness of the proposed methodology, some illustrative examples are considered.
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Computation of first order hydrodynamic loads on a large cylinder in the sea due to combined wave and current, using higher order boundary element method
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:In this paper using higher order boundary element method, we study
the first order hydrodynamic loads applied on a large cylinder in the sea due to combined wave and current. This cylinder is located on the sea bed and pierces free surface vertically. Assuming potential flow and using HOBEM, as an alternative method, a computer program is developed to solve first order diffraction equations in the time domain. Maximum 18% difference is observed between the results of the present work (HOBEM) and constant panel method for the hydrodynamic forces applied to the body. In HOBEM the surface of the body is discretized with curved elements, which approximate better the surface of the cylinder, so the present results can be more reliable.
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nW
Iranian Journal of FuzzyVolume 6- Number 1- February 2009
$ +), ./ %&' ()*
1 H. L. HUANG AND F. G. SHI
ROBUST H1 CONTROL FOR T–S TIME-VARYING DELAY SYSTEMS WITH NORM BOUNDED UNCERTAINTY BASED ON LMI APPROACH
2 F. SZIDAROVSZKY AND M. ZARGHAMI
COMBINING FUZZY QUANTIFIERS AND NEAT OPERATORS FOR SOFT COMPUTING
3 E. PASHA, A. SAIEDIFAR AND B. ASADY
THE PERCENTILES OF FUZZY NUMBERS AND THEIR APPLICATIONS
4 Y. B. JUN, C. H. PARK AND D. R. P. WILLIAMS
ABSORBENT ORDERED FILTERS AND THEIR FUZZIFICATIONS IN IMPLICATIVE SEMIGROUPS
5 W. YAO
ON L-FUZZIFYING CONVERGENCE SPACES
6 J. ZHAN, Y. B. JUN AND B. DAVVAZ
ON (∈ ,∈ ∨ q)-FUZZY IDEALS OF BCI-ALGEBRAS
nZ
Iranian Journal of FuzzyVolume 6- Number 2- June 2009
$ +), ./ %&' ()*
1 H. HASSANPOUR, H. R. MALEKI AND M. A. YAGHOOBI
A NOTE ON EVALUATION OF FUZZY LINEAR REGRESSION MODELS BY COMPARING MEMBERSHIP FUNCTIONS
2 L. C. CIUNGU
DIRECTLY INDECOMPOSABLE RESIDUATED LATTICES
3 M. HORRY AND M. M. ZAHEDI
UNIFORM AND SEMI-UNIFORM TOPOLOGY ON GENERAL FUZZY AUTOMATA
4 Y. B. JUN AND C. H. PARK
IDEALS OF PSEUDO MV-ALGEBRAS BASED ON VAGUE SET THEORY
5 R. AMERI, H. HEDAYATI AND A. MOLAEE
ON FUZZY HYPERIDEALS OF Γ -HYPERRINGS
6 M. HORRY AND M. M. ZAHEDI
HYPERGROUPS AND GENERAL FUZZY AUTOMATA
7 Y. B. JUN AND C. H. PARK
APPLICATIONS OF SOFT SETS IN HILBERT ALGEBRAS
n
Iranian Journal of FuzzyVolume 6- Number 3- October 2009
$ +), ./ %&' ()*
1 P. MELBA MARY AND N. S. MARIMUTHU
MINIMUM TIME SWING UP AND STABILIZATION OF ROTARY INVERTED PENDULUM USING PULSE STEP CONTROL
2 N. JAVADIAN, Y. MAALI AND N. MAHDAVI-AMIRI
FUZZY LINEAR PROGRAMMING WITH GRADES OF SATISFACTION IN CONSTRAINTS
3 G. CHOWDHURY
FUZZY TRANSPOSITION HYPERGROUPS
4 X. MA, J. ZHAN AND Y. B. JUN
SOME TYPES OF (∈ ,∈ ∨ q)-INTERVAL-VALUED FUZZY IDEALS OF BCI ALGEBRAS
5 I. JAHAN
EMBEDDING OF THE LATTICE OF IDEALS OF A RING INTO ITS LATTICE OF FUZZY IDEALS
6 S. Q. JIANG AND C. H. YAN
FUZZY BOUNDED SETS AND TOTALLY FUZZY BOUNDED SETS IN I-TOPOLOGICAL VECTOR SPACES
n
Iranian Journal of FuzzyVolume 6- Number 4- December 2009
$ +), ./ %&' ()*
1 S. HOSKOVA PREFACE 2 A. DRAMALIDIS AND T.
VOUGIOUKLIS
FUZZY HV-SUBSTRUCTURES IN A TWO DIMENSIONAL EUCLIDEAN VECTOR SPACE
3 I. CRISTEA AND S. HOSKOVA
FUZZY PSEUDOTOPOLOGICAL HYPERGROUPOIDS
4 B. DAVVAZ
FUZZY HYPERIDEALS IN TERNARY SEMIHYPERRINGS
5 R. A. BORZOOEI AND M. BAKHSHI
T-FUZZY CONGRUENCES AND T-FUZZY FILTERS OF A BL-ALGEBRA
6 A. MATURO
ON SOME STRUCTURES OF FUZZY NUMBERS
7 R. AMERI AND R. MAHJOOB
SPECTRUM OF PRIME FUZZY HYPERIDEALS
8 M. BAKHSHI AND R. A. BORZOOEI
SOME PROPERTIES OF T-FUZZY GENERALIZED SUBGROUPS
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