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PROGRAMA NACIONAL DE RE-‐EQUIPAMENTO REDE NACIONAL DE RESSONÂNCIA MAGNÉTICA NUCLEAR
Relatório Global de Atividades 2011 Neste documento apresenta-‐se o Relatório de Atividades Global da RNRMN relativo ao ano
de 2011. O relatório foi elaborado tendo em conta a contribuição dos vários centros
associados à Rede nas vertentes científica, financeira, operacional e logística, com base nos
relatórios recebidos das Instituições Participantes, os quais estão anexados ao Relatório
Global.
Este relatório inclui uma apreciação do funcionamento das Unidades da Rede, das atividades
de "Networking" desenvolvidas e uma análise dos desvios verificados, estando organizado do
seguinte modo:
Parte A – Componente Científica
Parte A.1 – Utilização e indicadores de resultados
Parte A.2 – Atividades de networking
Parte A.3 – Desvios a atividades planeadas
Parte A.4 – Atividades para 2012
Anexo A -‐ Relatórios científicos por unidade
Parte B – Componente Financeira
Parte B.1 – Resumo dos relatórios financeiros
Parte B.2 – Orçamento para 2012
Anexo B -‐ Relatórios Financeiros individuais por unidade
Caparica, 31 de Janeiro de 2012
Eurico José da Silva Cabrita
(Coordenador da RNRMN)
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Parte A – Componente Científica
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Parte A.1 – Utilização e indicadores de resultados
Da análise dos relatórios de cada unidade foi compilada a tabela 1 que reúne os factos mais
relevantes da atividade desenvolvida.
Com base nesta tabela e nos dados dos relatórios individuais a avaliação da utilização e dos
indicadores de resultados foi organizada nos seguintes tópicos: utilização dos
espectrómetros, indicadores de resultados e prestação de serviços.
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Tabela 1 -‐ RESUMO DOS FACTOS MAIS RELEVANTES DA ACTIVIDADE DESENVOLVIDA NA REDE NACIONAL DE RMN EM 2011
Dias de
Utilização dos Espectrómetros*
Número PhDs
concluídos
Número PhDs
Iniciados1
Número Pós-‐docs Iniciados1
Número Projectos Iniciados1
Número Artigos
publicados
Actividades
Unidade Espect. Encontros Científicos
Cursos Workshops
Seminários Serviços Empresas/Ext RedeRMN
NU UE UI M F
ITQB 800 (AvII+) 500 (AvII+) 500 (AvII) 400 (AvII+)
54 57 98 0
85 38 0
0,5
212 258 25
351,50
14 12 17 10
0 5 7 3
4 4 4 6 36 -‐ 2 5
IGC; Lusomedicamenta; FA-‐UTL; FCM-‐UNL
U. Nova-‐REQUIMTE
600 (AvII+) 400 (ARX) 400 (AvII+)
14,5 0
63,4
70,2 27
10,9
244,9 302 195
15,7 9
9,7
9,8 7
5,6 4 7 6 13 (12)
39 -‐ 2
Univ Evora Univ Algarve; ISA-‐UTL; UBI Hovione
Medicamenta
U. Nova-‐Materiais
400 (AvII+) 39 19 28 13 2#
1 -‐ -‐ 1 -‐ -‐ -‐ 1
Esc. Sup. Biot.; FFUL; HSM; HFF; DF-‐IST FMV-‐UTL; IPCI3N
IST 300 400 500
66,9 39,3 96
5,4 8
39,9
264,5 298,3 201,3
23,2 14,6 23,8
5,1 4,8 4
6 6 -‐ 6 40 -‐ 7 -‐ FCL; FFL; ISEL; ITN; Fisipe; Wedtoch
U. Coimbra -‐ CNC
600 MHz 500 MHz
11,1 65,4
7 4,1
342,5 73
4,4 222,5
0 0 2 1 1 4 43 -‐ -‐ 1 FCTUC; Biocant
U. Coimbra-‐Químicaa
400 (AvII+) -‐ -‐ -‐ -‐ -‐ -‐ -‐ -‐ -‐ -‐ -‐ -‐ -‐
U. Aveiro 500 MHz 400 MHz 300 MHz
0 0 0
24,1 64,1 33
333,9 283,9 282
2 2
38
5 15 12
8 5 4 2
(18) 49 1 1 2
FFUP; FCTUC; ICBAS
U. Porto 400 (AvII+) 84,1 0,3 275,8 4,2 0,6 4 6 2 4 26 -‐ -‐ -‐ -‐
U. Minho 400 (AvII+) “instrumento utilizado continuamente incluindo noites e fins-‐de-‐semana”
3 5 1 1 28 -‐ -‐ -‐ -‐
U. Madeira 400 (AvII+) 58,5 0 303,3 2,2 1 -‐ 1 3 3 -‐ -‐ -‐ -‐
TOTAL 32 34 19 40 264 1 12 9
*Tempo não utilizado/Utilizadores externos/Utilizadores internos/Manutenção/Formação 1 Entre parêntesis os PhDs/Pos-‐docs/projectos em curso, quando disponível # Contabilizado para uma utilização máxima total de 100 dias correspondentes a 2400 h.u. aO relatório científico não foi recebido em tempo útil de modo a poder ser incluído no relatório Global de Atividades.
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Utilização dos Espectrómetros
Verifica-‐se que a taxa global de utilização dos espectrómetros da Rede se mantém
semelhante à de 2010 rondando os 90% do tempo anual.
Os gráficos 1 e 2 resumem a ocupação percentual do tempo de utilização dos
espectrómetros de Campo alto (800 MHz (CERMAX), 600 MHz (UNova-‐REQUIMTE), 600 MHz
(CNC – Coimbra) e Campo baixo (os restantes). Apresentam-‐se também as distribuições
relativas a 2010 para melhor se perceber a evolução da utilização.
Gráfico 1 -‐ Distribuição percentual de tempo de utilização -‐ Espectrómetros de Campo Alto
2010 2011
Gráfico 2 -‐ Distribuição percentual de tempo de utilização -‐ Espectrómetros de Campo
Baixo
2010 2011
Não Utilizado 7%
U. Externos 15%
U. Internos 74%
Manut. 3%
Formação 1%
Não Utilizado 8% U. Externos
9%
U. Internos 76%
Manut. 5%
Formação 2%
Não Utilizado 7% U. Externos
12%
U. Internos 73%
Manut. 5%
Formação 3%
Não Utilizado 12%
U. Externos 7%
U. Internos 73%
Manut. 7%
Formação 1%
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Tal como em 2010, continua a verificar-‐se que os utilizadores externos procuram mais os
espectrómetros que oferecem serviços mais especializados: os laboratórios equipados com
espectrómetros de campo alto (ITQB, Universidade Nova/REQUIMTE e Universidade de
Coimbra-‐Bioquímica) que disponibilizaram em conjunto 162 dias (131 dias em 2010) a
utilizadores externos e os laboratórios com RMN de sólidos (Universidade de Aveiro e
CENIMAT) que disponibilizaram em conjunto cerca de 140 dias (111 dias em 2010) a
utilizadores externos. A taxa de utilização externa aumentou nestes centros em relação a
2010, o que se deve sobretudo à atividade de divulgação dos serviços da rede e à
especificidade dos equipamentos e ao conhecimento técnico que os centros de acolhimento
dispõem.
Quanto aos equipamentos de campo baixo, sendo equipamentos mais vocacionados para
análises de rotina, os indicadores de tempo de utilização refletem uma utilização sobretudo
por utilizadores da instituição de acolhimento. Este perfil de utilização mantem-‐se em
relação a 2010, não sendo inesperado visto que a maioria das universidades com atividade
científica relevante está equipada com espectrómetros que asseguram as análises de rotina
locais.
Indicadores de Resultados
O impacto da infraestrutura da Rede de RMN na formação avançada de recursos humanos é
avaliado através do indicador: bolsas de doutoramento iniciadas e concluídas e bolsas de
pós-‐doutoramento iniciadas no ano a que reporta o relatório.
O indicador: projetos aprovados no ano de 2011, é utilizado para avaliar o impacto da
infraestrutura de RMN na captação de fundos através de projetos de investigação. Foram
considerados apenas bolsas e projetos onde a RMN é uma técnica utilizada frequentemente
no plano de trabalhos.
Em 2011, no total das Instituições da Rede (com exceção da Unidade de Coimbra-‐Química),
32 alunos (16 em 2010) terminaram o seu doutoramento tendo beneficiado diretamente das
infraestruturas. Por outro lado, 34 alunos iniciaram projetos de doutoramento (26 em 2010)
e 12 iniciaram trabalhos de pós-‐doutoramento (11 em 2010). Estes números demonstram
bem a importância da infraestrutura no apoio à formação avançada de recursos humanos,
principalmente para os estudantes de doutoramento. A análise do impacto em termos de
formação de recursos humanos só fica no entanto completa após consulta das listas,
disponibilizadas em anexo nos relatórios individuais de cada unidade, de estudantes de
mestrado, bolseiros de investigação contratados em projetos e bolseiros de iniciação à
investigação científica, cujo plano de trabalhos depende ou é apoiado pela técnica de RMN.
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Em termos de produção científica, e considerado apenas o indicador “artigos publicados”,
em 2011, foram publicados 264 artigos para os quais a informação RMN constituiu um
apport relevante. Este número denota um claro aumento em relação a 2010 (254
publicações) especialmente considerando que em 2011 faltam os dados relativos a uma
unidade.
Em relação ao número de projetos com financiamento concedido, que utilizam ou exploram
a técnica de RMN, em 2011 o número de novos projetos financiados no total das instituições
foi de 40. O facto deste número ser muito semelhante ao do ano anterior (43) apesar de
faltar contabilizar uma instituição, é outro indicador que demonstra a importância da Rede
de RMN para as instituições e investigadores. Estes números são a prova de que as condições
da infraestrutura da Rede de RMN contribuem efetivamente para a competitividade das
propostas de projetos de investigação.
Prestação de Serviços
Um dos objectivos primários da Rede de RMN é a prestação de serviços a entidades
académicas exteriores à Rede e a empresas.
Tal como em 2010, verifica-‐se que a Universidade do Algarve e a Universidade de Évora
estão entre as entidades académicas externas que mais recorrem à Rede de RMN para
efetuarem análises. O Instituto Superior de Agronomia tem também vindo a realizar análises
mais frequentemente.
Quanto à prestação de serviços a empresas, durante 2011 verificou-‐se um decréscimo de
solicitação de serviços, inclusive para empresas como a Hovione ou a Sopac, para as quais a
RNRMN já presta um serviço regular de análises. Este decréscimo ocorreu apesar dos
esforços feitos pela RNRMN no final de 2010 para divulgar os seus serviços junto das
empresas através do Workshop “RMN e Industria” organizado na Universidade de Aveiro.
Esta diminuição poderá estar associada à crise económica e a cortes de despesa com este
tipo de serviços por parte das empresas.
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Parte A.2 – Atividades de networking
As atividades de networking promovidas pela Rede assentam em dois eixos de ação
principais:
-‐ Atividades de formação e divulgação: cursos, workshops e conferências
-‐ Promoção da mobilidade de investigadores entre unidades
O apoio da Rede a estas atividades é efectuado através da divulgação no portal da Rede e
através de apoio financeiro à organização dos eventos: através do financiamento da
deslocação e estadia de estudantes, investigadores ou professores.
Em 2010 as atividades de networking foram essencialmente focadas na oferta de ações de
formação organizadas pelos vários centros. Em 2011 pretendeu-‐se complementar essa
atividade de formação com uma maior promoção da mobilidade de investigadores e
estudantes (entre os centros da Rede) e com uma abertura ao exterior através de um
programa de seminários envolvendo investigadores reputados na área do RMN. Para isso
foram organizados seminários com especialistas reconhecidos internacionalmente na área
da RMN. Deste modo, após um esforço de formação mais geral ao nível da iniciação à técnica
em 2010, em 2011 apostou-‐se na aquisição de competências mais avançadas.
Atividades de formação e divulgação: cursos, workshops e conferências
A formação avançada ao nível da pós-‐graduação é um dos principais objectivos das
atividades de networking. As ações de formação organizadas pelos vários parceiros da Rede
contribuem para a formação avançada de recursos humanos em cursos de mestrado e
programas de doutoramento, formam utilizadores e contribuem decisivamente para a
divulgação da técnica e das potencialidades dos equipamentos instalados.
As ações de formação organizadas pelos vários centros são normalmente direcionadas para
diferentes níveis de especialização e refletem a especificidade e complementaridade
científica dos vários polos da Rede.
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Em 2011 foram organizadas as seguintes atividades:
-‐ Formação geral ao nível da iniciação à técnica
“4th CERMAX practical course on basic NMR” – Organizado pelo CERMAX de 14 a 17
de Junho de 2011 – 16 participantes
-‐ Formação especializada avançada
Escola de verão INTERBIO denominada: “NMR applications in Protein Research”
(http://www.itqb.unl.pt/interbio-‐summer-‐school2011) – organizada pelo CERMAX-‐
ITQB em colaboração o Instituto Gulbenkian de Ciência, de 22 a 30 de Setembro de
2011. Esta “International Summer School” esteve aberta a inscrições por parte de
todos os membros da Rede.
-‐ Formação integrada
Leccionação de um módulo de RMN Biomolecular (16 horas) na escola de Verão
“Hands on course in proteins and proteomics” que decorreu no período de 3 a 16 de
Julho de 2011 no DQ/FCT/UNL (http://www.bioscopegroup.org/master/)
Curso “School on Modern Methods of Structure Elucidation-‐2011 (MMSE-‐2011)“ (14
a 18 de Novembro, 2011), dedicado a varias técnicas espectroscópicas de elucidação
estrutural: RMN em solução e em estado sólido, difracção de raios X, espectrometria
de massa e EPR (página da escola http://cqe.ist.utl.pt/events/mmse2011/)
organizado no IST/UTL, com a participação de 35 estudantes e bolseiros provenientes
de várias Universidades e Institutos do país. -‐ Seminários da Rede
Tal como foi referido anteriormente, em 2011 foi lançado um programa de
seminários da Rede (PTNMR seminars) onde foram convidados para proferir palestras
especialistas reconhecidos internacionalmente na área de RMN. A RNRMN apoiou
este programa de seminários financiando estadias e deslocações de alguns oradores e
assegurando uma ampla divulgação através do portal da RNRMN e da sua lista de
correio electrónico. Sempre que possível a Rede de RMN associou-‐se a outras
instituições/organizações de modo a partilhar custos.
-‐ 16 de Fevereiro de 2011 – Departamento de Química da FCT/UNL
Ivano Bertini, CERM-‐Università degli Studi di Firenze, Italy -‐ NMR: a flagship in
moving the frontiers of biological science.
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Seminário integrado nas comemorações do ano internacional da Química do DQ
da FCT/UNL e sem custos para a RNRMN.
-‐ 27 de Abril de 2011 – Departamento de Química da FCT/UNL
Luís Mafra, CICECO-‐Universidade de Aveiro, Portugal -‐ Solid-‐state NMR methods
applied to pharmaceuticals.
Seminário integrado nas comemorações do ano internacional da Química do DQ
da FCT/UNL e sem custos para a RNRMN
-‐ 11 de Maio de 2011 – Departamento de Química da FCT/UNL
Eurico Cabrita, REQUIMTE-‐FCT/UNL-‐Caparica, Portugal -‐ In Resonance with
Chemistry.
Seminário integrado nas comemorações do ano internacional da Química do DQ
da FCT/UNL e sem custos para a RNRMN
-‐ 22 de Junho de 2011 – Departamento de Química da FCT/UNL
Carlos Geraldes, CNC, Universidade de Coimbra, Portugal -‐ Chemical aspects of
Molecular Imaging probe design and biomedical applications
Seminário integrado nas comemorações do ano internacional da Química do DQ
da FCT/UNL e sem custos para a RNRMN
-‐ 21 de Setembro de 2011 – Departamento de Química, Universidade de Aveiro
John C. Lindon, Department of Biomolecular Medicine, Faculty of Medicine,
Imperial College London -‐ Bringing molecules into medicine using NMR and mass
spectrometry based metabonomics
A RNRMN suportou os custos de viagem e alojamento.
-‐ 6 de Outubro de 2011 – Departamento de Química da FCT/UNL
Denis Hansen, ISMB, University College London, Reino Unido -‐ Structure and
Dynamics of Excited and Invisible Protein States: Application to chromatin
remodelling and protein folding"
A RNRMN suportou os custos de viagem e alojamento.
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Promoção da mobilidade de investigadores entre unidades
A promoção da mobilidade de investigadores entre unidades é efectuada através do suporte
financeiro de deslocações e estadias de investigadores para atividades de formação ou para
a realização de experiências. São 3 os centros da Rede com orçamento para esta rúbrica:
-‐ ITQB
-‐ FCT-‐REQUIMTE
-‐ UC (Bioquímica)
O objectivo é facultar a todos os investigadores portugueses o acesso às diferentes valências
espectroscópicas, nomeadamente aos laboratórios equipados com espectrómetros de
campo alto.
O apoio da Rede para a deslocação e estadia de alunos, para a participação em cursos foi
referido no ponto anterior.
Resumo das ações de mobilidade nos polos com financiamento:
ITQB
-‐ recebeu investigadores da Universidade de Aveiro, da FCT-‐UNL e da Universidade
de Coimbra para efetuarem medidas no espectrómetro de 800 MHz, tendo estes
utilizadores sido responsáveis por cerca de 22,5 % do tempo utilizado. A Rede de
RMN assegurou as despesas de deslocação e estadia para os utilizadores externos
ao distrito de Lisboa.
FCT-‐REQUIMTE
-‐ recebeu investigadores da Universidade de Aveiro, do CNC da Universidade de
Coimbra, do ITQB e da Universidade do Porto para realizar experiências no
espectrómetro de 600 MHz com criosonda, tendo estes utilizadores sido
responsáveis por 17 % do tempo utilizado. A Rede de RMN assegurou as despesas
de deslocação e estadia para os utilizadores externos ao distrito de Lisboa.
UC-‐Bioquímica
-‐ Recebeu visitas de investigadores do DQ da Universidade do Minho e do
Departamento de Química e Bioquímica da Universidade do Porto.
Em relação a 2010 há uma clara tendência de aumento da mobilidade. Verifica-‐se que a
mobilidade deixou de ser quase exclusivamente entre os polos da região de Lisboa havendo
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uma maior procura por parte de outros Laboratórios, principalmente de Aveiro e Coimbra
para visitas a Lisboa (ITQB e FCT/UNL).
Outros indicadores de mobilidade
A mobilidade de investigadores não se limita àquela reportada no ponto anterior. A
promoção de atividades como os seminários da Rede ou os cursos especializados constituem
também ferramentas eficientes para promover a mobilidade de investigadores e estudantes,
não para a utilização dos equipamentos, mas para atividades de formação. A participação de
estudantes de diferentes polos da Rede nas várias atividades de formação patrocinadas pela
RNRMN são um bom indicador de que a mobilidade deverá continuar a aumentar.
Internacionalização
Em 2011 continuou-‐se o esforço de internacionalização da RNRMN, tendo sido dado um
passo importante nesse sentido. Em 2011 Portugal tornou-‐se um “National Affiliate Center”
da plataforma Instruct (http://www.structuralbiology.eu/resources/centres/instruct-‐pt) uma
infraestrutura que funciona como uma plataforma integrada de acesso a tecnologia, treino
avançado e know-‐how científico no campo da biologia estrutural. A RNRMN representa a
comunidade portuguesa de RMN na plataforma Instruct.
A estratégia de internacionalização da RNRMN passa não só pela procura de parcerias com
outras Redes de Laboratórios congéneres no espaço europeu, mas também pela organização
de eventos, cursos ou workshops, com forte participação de investigadores estrangeiros.
Neste sentido a série de seminários da Rede é também uma forma de afirmação da
comunidade de RMN no exterior, pois ao receber em Portugal cientistas de projeção
internacional a Rede dá-‐se a conhecer e os investigadores portugueses têm a oportunidade
de discutir o seu trabalho com especialistas estrangeiros.
A realização da Escola INTERBIO “NMR applications in Protein Research”
(http://www.itqb.unl.pt/interbio-‐summer-‐school2011) – organizada pelo CERMAX,
constituiu também um ponto importante das atividades de internacionalização da RNRMN,
uma vez que esta escola contou com a presença de muitos investigadores estrangeiros de
laboratórios líderes Europeus.
Continuam os esforços para integrar o BIO-‐NMR. O Projecto BIO-‐NMR é financiado pelo 7º
Programa Quadro da Comissão Europeia, e tem como objectivo ajudar a estruturar as
infraestruturas, os utilizadores e a comunidade de investigadores em RMN Biológico na
Europa. Mais informações em www.bio-‐nmr.net.
13
14
Parte A.3 – Desvios a atividades planeadas
A tabela 2 compara as atividades programadas para 2011 constantes da proposta de
atividades com as concretizadas.
15
Tabela 2. EVENTOS PLANEADOS PARA 2011 VS. CONCRETIZADOS Evento ou Tarefa Janeiro-‐Junho 2011 Julho-‐ Dezembro 2011 COMENTÁRIOS/DESVIOS Encontros Científicos -‐ 2nd Smarter – UAveiro
2º Workshop RMN & Indústria – Practical Action -‐ UAveiro
2nd Smarter, foi realizado 23 a 27 de Maio de 2011 como planeado 2º Workshop RMN & Indústria – A UAveiro optou por realizar o workshop com uma periodicidade bianual.
Acesso de investigadores a laboratórios
Aberto todo o ano Ver nota 1
Cursos de utilizadores -‐ “4th CERMAX practical course on basic NMR”, ITQB, Junho -‐ “Hands-‐on course on protein-‐ligand interactions”, REQUIMTE, FCT, Jun -‐ “curso de formação em RMN” -‐ UPorto
-‐ “4th CERMAX practical course on basic NMR”, ITQB, Outubro -‐ “Curso Monografico:RMN da teoria à prática” REQUIMTE, FCT, Outubro MMSE-‐2011, IST
Todos os cursos foram realizados com a exceção de: “Curso Monografico:RMN da teoria à prática” – Atendendo a uma solicitação da UBI este curso vai ser realizado na Covilhã em Fevereiro de 2012. “curso de formação em RMN” -‐ UPorto
Jornadas da RNRMN Jornadas da Rede e Bruker users meeting -‐Set, FCT-‐UNL
Devido a dificuldades de calendário, não foram realizadas as Jornadas da Rede e a Bruker users meeting como previsto, ficaram agendadas para 2 e 3 de Fev. de 2012
Seminários RNRMN Ivano Bertini -‐ 16 Fevereiro, FCT/UNL Luis Mafra – 27 de Abril, FCT/UNL Eurico Cabrita – 11 de Maio, FCT/UNL Carlos Geraldes – 22 de Junho, FCT/UNL Yeast Metabolomic based on NMR, IST
Kevin Brindle -‐ UCoimbra Malcolm Levitt -‐ UAveiro John Lindon – 21 Set, UAveiro
Os seminários do Prof. Kevin Brindle e do Prof Malcolm Levitt não foram realizados por questões de agenda, vão realizar-‐se em 2012 Não foi realizado o seminário Yeast Metabolomic based on NMR, IST Todos os outros seminários foram realizados. Foi também realizado o seminário com o Dr Denis Hansen em Out. 2011 na FCT/UNL
Visita da Comissão Consultiva Internacional
Adiada para 2012 (ver nota 2)
Livro de Highlights da Rede Em preparação (ver nota 3)
16
Nota 1 – Este assunto foi analisado na Parte A.2 – Atividades de networking, Promoção da
mobilidade de investigadores entre unidades.
Nota 2 – A visita da Comissão consultiva internacional deverá acontecer durante 2012, para
uma avaliação detalhada da RNRMN.
Nota 3 – A edição dos highlights da RNRMN estava prevista para ocorrer no seguimento das
Jornadas da Rede de RMN, reportando os trabalhos científicos mais importantes produzidos
em 2010/11 com forte suporte da infraestrutura da Rede de RMN. Como as jornadas foram
adiadas para o dia 3 de Fevereiro de 2012 a edição será posterior a esta data.
Parte A.4 – Atividades para 2012
As atividades previstas para 2012 são apresentadas de uma forma resumida na tabela 4.
17
Tabela 4. RESUMO DAS ACTIVIDADES PLANEADAS PARA 2012 POR UNIDADE
Janeiro -‐ Junho Julho -‐ Dezembro Encontros Científicos Cursos Seminários/Outros Encontros Científicos Cursos Seminários/Outros
ITQB Participação nas Jornadas RNRMN
“5th CERMAX practical course on basic NMR” 1ª edição, Junho
Um cientista estrangeiro a convidar – PTNMR seminars
“5th CERMAX practical course on basic NMR” 2ª edição, Outubro
Um cientista estrangeiro a convidar -‐ PTNMR seminars
U. Nova-‐REQUIMTE
Organização das Jornadas da Rede Nacional RMN e Bruker Users Meeting – Fev
Curso Monográfico:RMN da teoria à prática -‐ Fev
Um cientista estrangeiro a convidar – PTNMR seminars
IV Ibero-‐American NMR meeting -‐ VI Reunion bienal del GERMN -‐ III Iberian NMR meeting (org. com a UAveiro)
Dois cientistas estrangeiro a convidar -‐ PTNMR seminars
U. Nova-‐Materiais
Participação nas Jornadas RNRMN
Um seminário a designar Participação na IV Ibero-‐American NMR meeting -‐ VI Reunion bienal del GERMN -‐ III Iberian NMR meeting
Um curso a designar Um seminário a designar -‐ PTNMR seminars
IST Participação nas Jornadas RNRMN
MMSE-‐2012
U. Coimbra-‐Bioquímica
Participação nas Jornadas RNMRMN
Kevin Brindle, Univ. Cambridge, UK -‐ PTNMR seminars
IV Ibero-‐American NMR meeting -‐ VI Reunion bienal del GERMN -‐ III Iberian NMR meeting (org. com a UAveiro)
PTNMR Hands-‐on course “NMR Spectroscopy: fundamental concepts and applications”
U. Coimbra-‐ Química
Participação nas Jornadas RNRMN
U. Aveiro Participação nas Jornadas RNRMN 2nd SMARTER
Workshop em RMN do estado sólido
Malcolm Levitt -‐ PTNMR seminars
IV Ibero-‐American NMR meeting -‐ VI Reunion bienal del GERMN -‐ III Iberian NMR meeting (Org. UAveiro) 3rd SMARTER (Universidade de Versalhes -‐ França)
U. Porto Participação nas Jornadas RNRMN
Um seminário mensal Curso de formação avançada
Um seminário mensal
U. Minho Participação nas Jornadas RNRMN
U. Madeira Participação nas Jornadas RNRMN 7º Encontro Anual do Grupo de Materiais do CQM
2nd Edition of NMR Course
3th Edition of NMR Course 5ª Edição da Nanoschool (Outubro)
18
Anexo A – Relatórios científicos por unidade
19
ITQB
20
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Utilizadores internos (68,2%)
Utilizadores externos (27,3%)
Manutençao (4,5%)
Utilizadores internos (68,2%)
Utilizadores externos (27,3%)
Manutençao (4,5%)
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22
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Utilizadores internos (82,4%)
Formação (1,6%)
Utilizadores externos (12,1%)
Manutençao (3,8%)
Utilizadores internos (82,4%)
Formação (1,6%)
Utilizadores externos (12,1%)
Manutençao (3,8%)
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23
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Utilizadores internos (91,2%)
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Utilizadores internos (96,3%)
Formação (0,8%)
Utilizadores externos (0,1%)
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Utilizadores internos (96,3%)
Formação (0,8%)
Utilizadores externos (0,1%)
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24
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Utilizadores internos (94,5%)
Manutençao (5,5%)
Utilizadores internos (94,5%)
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1. Data: 25 de Março de 2011 Provas de Doutoramento em Engenharia dos Materiais pela FCT/UNL Candidato: João Henrique Pires de Almeida Alexandre Título: “Sistemas Elastoméricos de Rede Aleatória: Preparação e caracterização molecular, estrutural e dinâmica, dos reticulados. Correlação com as propriedades macroscópicas”!
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U.Coimbra -‐ CNC
84
LabRMN-CNC – Laboratório de Ressonância Magnética Nuclear do Cen-
tro de Neurociências e Biologia Celular da Universidade de Coimbra
RELATÓRIO ANUAL
Parte A – Componente Científica
1. Identificação do Projecto: REDE/1517/RMN/2005 Designação da Rede: Rede Nacional de Ressonância Magnética Nuclear
Investigador Responsável/Representante da Instituição/ Unidade: Carlos F. G. C. Geral-
des
Instituição Participante: Centro de Neurociências e Biologia Celular (CNC), Coimbra
Data a que reporta o relatório
Data de início: 1 de Janeiro de 2011
Data de Fim: 31 de Dezembro de 2011
Financiamento concedido: 56 741,00 ! (45 471,00 ! da FCT e 11 270,00 ! de cofinancia-
mento do CNC)
2. Ficha da Unidade 2.1. Designação da Unidade de Rede: LabRMN-CNC
2.2. Gestor da Unidade: Emeric Wasielewski, PhD
2.3. URL: http://www.cnbc.pt/services/rmn_2.asp
2.4. Equipamento (listar por espectrómetro)
Varian VNMRS600 de 600 MHz
Varian Unity500 de 500 MHz.
85
3. Actividades 3.1. Utilização dos espectrómetros:
(tempo não utilizado/ tempo utilizadores externos/tempo utilizadores internos/tempo
manutenção/tempo formação)
Varian VNMRS 600 (Tabela I) Tabela I - Ocupação do Varian VNMRS 600.
Tabela I - Ocupação do Varian VNMRS 600.
Tempo não utilizado
Utilizadores externosb
Utilizadores internos
Manutençãoa Formação
11,1 dias/ 3,0 % 7 dias/ 1,9 % 342,5 dias/ 93,8 % 4,4 dias/ 1,2 % 0 dias/ 0 %
aO tempo utilizado para manutenção inclui o abastecimento de criogénicos, actualização de software, instalação de novas sondas, reparações diversas e preparação de novas experiências. b O tempo indicado corresponde a utilizadores externos declarados, havendo muitos outros não declarados em que o operador de facto, o Dr. Rui A. Carvalho, não deu qualquer informação apesar de lha ter sido pedida.
Varian Unity 500 (Tabela II) Tabela II - Ocupação do Varian Unity 500.
Tempo não
utilizado
Utilizadores
externos
Utilizadores
internos Manutençãoa Formação
65,4 dias/ 17,9 % 4,1 dias/ 1,1 % 73 dias/ 20,0 % 222,5 dias/ 60,9% 0 dias/ 0 %
aO tempo utilizado para manutenção inclui o abastecimento de criogénicos, actualização de software, instalação de novas sondas, reparações diversas e preparação de novas experiências. A elevada % observada para manu-tenção do Varian 500 deveu-se a uma avaria no sistema de lock, que levou à necessidade da Agilent obter com muita dificuldade peças de substituição para o aparelho já com 19 anos de actividade contínua e que necessita de urgente substituição de consola. O equipamento está há algum tempo completamente operational.
Utilizadores/colaboradores externos: 1) Rita Basu, Division of Endocrinology, Diabetes, Metabolism & Nutrition, Mayo Clinic College of Medicine, Rochester, MN, USA.
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2) Isabel Baanante, Departament of Bioquímica i Biologia Molecular, Facultat de Farmàcia, Univer-sitat de Barcelona, Joan XXIII s/n, 08028 Barcelona, Spain. 3) Michael Roden, Institute for Clinical Diabetology, German Diabetes Center (Leibniz Center for Diabetes Research) & Department of Metabolic Diseases, Heinrich-Heine University Düsseldorf, Germany. 4) Manuela Carvalheiro, Department of Endocrinology, University Hospital of Coimbra. 5) João Maia, Jorge F.J. Coelho, Pedro N. Simões, Helena Gil: (Departamento de Engenharia Química, Fac Ciências e Tecnologia, Univ Coimbra) 6) H.A. Correia, A.J.M. Valente, Rui F. P. Pereira, H.D. Burrows, A.C.F. Ribeiro, R. B. B. J. Marigese, Victor M. M. Lobo, Joao A. S. Almeida, Alberto A. C. C.Pais) (Dep Quimica, FCT, Universidade de Coimbra) 7) Miguel A. Pardal, Departamento de Ciências da Vida, FCT, Univ Coimbra) 8) C.B. Woitiski, Francisco Viega, Artur Figueirinha, Maria Teresa Batista (Faculdade de Far-mácia, Universidade de Coimbra) 9) Filomena Botelho (Faculdade de Medicina Universidade de Coimbra) 10) Rachel C. Evans, (CICECO e Dep. Física), Universidade de Aveiro 11) A Gartner, T. Pereira, I. Amorim, S. Socorro, A.C. Mauricio, Bruno Sarmento, G. Lopes, A. Rocha, R. Sá, A. Barros, J.E. Cavaco Eduardo F.Marques (Dep. Quimica e Bioquímica, Instituto de Ciências Biomédicas Abel Salazar, CECA ICETA, REQUIMTE, Faculdade de Farmácia) Universi-dade do Porto 11) Prof. Gil Forte (PT-NMR projects), J.Alberto Martins, João Paulo André (Departamento de Química, Universidade do Minho) 12) Dr.a Teresa Delgado, Dr.a Paula Macedo (Faculdade de Ciências Médicas, Univ. Nova de Lis-
boa)
Utilizadores/colaboradores internos (CNC): Carlos Frederico de Gusmão Campos Geraldes, Maria Margarida Catalão Almiro e Castro, Maria Lu-ísa Dias Ramos, Licínia de Lurdes Gomes Justino Simões, Ines Ribeiro Violante, Filipe Manuel Core-ta Gomes, Sara Rute Carvalhal Figueiredo, André Ferreira Martins, João Miguel Correia Teixeira, Helena Cristina Gil Cardeira dos Santos Leitão, Catarina I.O. Martins, Ana Marguerita Martins Mete-lo, David Miguel Gaspar Ferreira Dias, Henrique Daniel Figueiredo Carvalho, Rui Filipe Silva Carva-lho, Rui Pedro Lopes, Neuza Luisa da Silva Domingues, Cátia Marisa Machado Melo, Adriana Bran-co, Andreia Raquel Esteves de Sousa, Amália S. Jurado, John. G. Jones, Patricia M. Nunes, Anabela P. Rolo, Henrique Faneca, Ana Francisca Soares, Cristina Barosa, M.M. Caldeira, A.P . Silva, Ivan Viegas, Ana-Rita Simões, Filipa Carvalho, Ivana Jarak, Joa-na Barra, Rui A. Carvalho, Marco G. Alves, Ludgero Tavares, Paulo F. Oliveira, Margarida Carneiro, Tiago C. Alves, Sandro L. Pereira, J. Ramalho-Santos, A.F. Branco, V.A Sardão, V.M. Mendes, Bruno Mana-das, C.M.M. Palmeira, Nuno G. Machado,
3.2. Serviços (a empresas e outras entidades académicas externas à Rede) Prof. Jorge Fernando Jordão Coelho, Dep. Engenharia Química, FCTUC – 145 horas.
Dr. Lino Ferreira, Dep. Biomaterials and Stem Cell-Based Therapeutics, Biocant– 17 horas
Não houve serviços efectuados a empresas.
3.3. Formação (técnicos, utilizadores, etc...
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a) Formação de pessoal: técnicos, utilizadores, etc...
O Dr. Emeric Wasielewski, PhD, Técnico Doutorado e Gestor do Laboratório de RMN,
participou nos seguintes cursos de formação:
! PTNMR FCT-UNL REQUIMTE "2nd HANDS ON COURSE Ligand-based NMR
interaction studies", Caparica, Portugal (12-09-2011 to 15-09-2011) URL: http://www2.dq.fct.unl.pt/nmrcourses/LigandNMR2011/Welcome.html Departamento de Quimica Fac. Ciências e Tecnologia 2829-516 Caparica Portugal Course description:
This is a course designed to cover fundamentals of diffusion and NOE based experiments,
with case studies. Hands-on practice is organized about DOSY and STD-NMR.
Topics: - Theory of NOE and Diffusion based NMR experiments - Ligand-Protein interactions and NMR - Probing Molecular interactions with NOE based experiments - The NOE effect : parameters - The Transfer NOE effect : difference to NOE - Saturation Transfer Difference : concepts - Parameter selection and pulse sequences for NOE-based experiments - Molecular interactions by NOE : troubleshooting - Diffusion and NMR – general concepts - Pulse sequences for diffusion - Data Analysis - Characterization of size and shape - Probing Molecular interactions
Personal goal: up-to-date to the current techniques for ligand-based NMR interaction studies. As NMR Unit Manager, I am interested to monitor such techniques to improve our current skills with our 600 MHz NMR spectrometer here in Coimbra. This course can allow us to offer a better training and following to our users and students working in such studies.
O mesmo Gestor encarregou-se em 2011 do treino e certificação dos utilizadores internos,
bem como da organização do serviço exterior e manutenção de rotina dos espectrómetros.
Nomes dos utilizadores internos treinados individualmente:
Estudantes : Cátia Melo (U500), Neuza Domingues (U500).
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b) Manutenção:
A manutenção de rotina dos espectrómetros foi realizada pelo Dr. Emeric Wasielewski, PhD,
Técnico Doutorado e Gestor do Laboratório de RMN. Nos casos de avarias que não puderam
ser reparadas localmente pelo Gestor, as reparações foram realizadas pela Agilent, a partir
dos seus técnicos em Madrid e Barcelona ou pelos seus representantes em Portugal O Espec-
trómetro Varian VNMRS 600 esteve coberto por contrato de manutenção financiado pela
Rede. As reparações das avarias do Espectrómetro Varian Unity 500, com 19 anos de activi-
dade contínua, têm sido cobertas pelo orçamento do CNC.
3.4. Eventos organizados (RMN): (cursos, workshops, conferências, acções de divulgação, etc.)
a) Execução de actividades planeadas
1) O Dr. John G. Jones proferiu uma conferência integrada no Curso PDBEB do CNC sobre
metabolismo em Março de 2011.
2) A conferência a proferir na REDE pelo Prof. Kevin Brindle do Cancer Research Institute
e da Universidade de Cambridge, UK, ficou adiada e agendada para Março de 2012.
b) Participação na organização de conferências ou cursos:
1) Os Profs. Carlos Geraldes e Maria Margarida Castro, membros da Comissão Científica
e Organizadora (respectivamente) do IV Iberoamerican NMR Meeting/ VI GERMN Bienal
Meeting//III Iberian NMR Meeting, a realizar em Aveiro em Setembro de 2012, participaram
em activaidades organizativas deste congresso.
2) O Prof. Carlos F. Geraldes, membro do Board of Trustees do EUROMAR, participou na
organização do comgresso anula da EUROMAR, realizado em Dublin, Irlanda, 2m 21-25 de
Agosto de 2011.
3) O Prof. Carlos F. Geraldes foi convidado para membro da Comissão Científica Interna-
cional do Congresso ISMAR 2013 e no V Iberoamerican NMR Meeting/ VII GERMN Bienal
Meeting//IV Iberian NMR Meeting, que se realizarão em Maio de 2013 no Rio de Janeiro,
Brasil, participou, por convite numa reunião desses orgãos no Rio de Janeiro em maio de
2011, na qual foram definidos os respectivos programas científicos e organizativos.
c) Divulgação
O LabRMN-CNC associou-se a iniciativas de divulgação no âmbito do Laboratório Associa-
do CNC.
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Os investigadores com funções no LabRMN-CNC proferiram também conferências em con-
gressos internacionais ou participaram em seminários integrados em cursos de mestrado e de
doutoramento, dentro e fora da FCTUC, que funcionam como elemento de divulgação da
técnica e das capacidades próprias do LabRMN.
A divulgação das capacidades e competências do LabRMN-CNC é também realizada através
da internet, no sítio próprio (http://www.cnbc.pt/services/rmn_2.asp) e no sítio da Rede Naci-
onal de RMN (http://ptnmr.dq.ua.pt).
3.5. Projectos de investigação iniciados em 2011 em que a RMN seja relevante, com re-
ferência particular aos realizados em colaboração com outros labs da Rede de RMN
1) FCT Project “Protein-carbohydrate interaction characterization of Laforin – a human protein in-
volved in lafora disease””; (PTDC/BIA-PRO/111141/2009) – 31,800 ! (out of a total of 190,000 !);
March 2011- March 2014. (P.I. Pedro Castanheira, BIOCANT; Collaborations: CNC, Univ. Coimbra
PI Carlos Geraldes); Centro de Química, Universidade do Minho).
2) “Agentes de Imagem Multimodal para detecção de placas A-beta amilóide na doença de Alzhei-
mer”, Projecto ao abrigo do Convénio/Acordo FCT – ANR; Portugal/França PROGRAMA PESSOA
; 7,000 !; Colaboração CNC (PI: Carlos Geraldes) com CBM, CNRS, Orleans, França (PI: Eva Tóth)
(2010/2012)
3) Portuguese Foundation of Science and Technology (PTDC-SAU-MET-111398-2009):
“Role of the intestine in promoting the lipogenic effects of fructose.” PI: John Jones; !
159,564, July 1 2011 - Jun 30, 2014.
4) German Diabetes Foundation (P.I. Michael Roden) "Endogenous glucose and glycogen metabolism in insulin resistant subjects.” !14,309, Oct 1 2011-Sept 30 2012. 3.6. Formação avançada iniciada em 2011 em que a RMN seja relevante, com referência
particular à realizada em colaboração com outros labs da Rede de RMN
Doutoramentos
a) Doutoramentos
1. David Miguel Gaspar Ferreira Dias (2011-…): Departamento de Ciências da Vida, FCTUC; Su-
pervisor: Carlos F.G.C.Geraldes; Co-supervisor: Dr. Alessio Ciulli, do Departamento de Química da
Universidade de Cambridge, Reino Unido; Probable ending date: October 2015: “Biophysical studies
90
of Multi-Protein Complexes interfaces in Fragment-based Drug Discovery”; PhD grant from Funda-
ção para a Ciência e Tecnologia (FCT) (SFRH/BD/81735/2011).
Mestrados
Não houve
Outros (Post-Docs, BIC,...) 1. Rui M. Almeida,- Post –Doctoral grant (October 2011- ); Fundação para a Ciência e Tecnologia
(FCT) (SFRH/BPD/80293/2011), project “Application of NMR techniques to characterize protein-
protein interactions in mitrogen cycle and sulfate respiratory chain”, in collaboration with Professor
Maria Isabel G. Moura, Department of Chemistry, Faculdade de Ciências e Tecnologia, Universidade
Nova de Lisboa
(colaboração com outro laboratório da Rede)
4. Actividades de Networking 1. Participação de doutorados e alunos do laboratório de RMN-CNC, Coimbra, em cursos de
formação da Rede:
O Dr. Emeric Wasielewski e o aluno David M. Dias participaram no cursos de formação
PTNMR FCT-UNL REQUIMTE "2nd HANDS ON COURSE Ligand-based NMR interaction
studies", Caparica, Portugal (12-09-2011 to 15-09-2011)
2. Utilização de outros espectrómetros RMN da Rede:
a) Membros da equipa do Dr. John Jones utilizaram o espectrómetro RMN Bruker 400 do
Centro de Química de Coimbra. da Universidade de Coimbra no projecto “Characterize reac-
tion mixtures by 1H NMR analysis”, bem como vários alunos do Prof. Carlos Geraldes no
projecto “Estudos estruturais de complexos de lantanídeos como Agenets de contraste IRM”.
b) O aluno David M. Dias efectuou 4 deslocações ao Laboratório de RMN Do DQ da UNL
para utilização dos espectrómetros Bruker 400 e 600, algumas vezes usando um projecto PT-
NMR.
3. Utilização de espectrómetros RMN do CNC por elementos da Rede exteriores ao CNC:
Miguel Ferreira (2 vezes), Jananína Gonçalves, Liliana Sofia, Vera Duarte, Prof. Gil Forte (pro-
jecto PT-NMR) (Departamento de Química, Universidade do Minho).
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Clara Pereira, Maria Garcia, Departamento de Química e Bioquímica/REQUIMTE, Uni-
versidade do Porto.
5. Indicadores de resultados
5.1. Publicações
a) Livros ou capítulos de Livros 1. Structure, Dynamics and Computational Studies of Lanthanide Based Contrast Agents, Joop A.
Peters, Kristina Djanashvili, Carlos F.G.C. Geraldes, Carlos Platas-Iglesias, In “Contrast Agents in
Medical Magnetic Resonance Imaging”, A.E. Merbach, Ed., John Wiley and Sons, 2.nd edition, in
press
2. Lanthanide Shift Reagents, Carlos F.G.C. Geraldes, in “The Rare Earth Elements:Fundamentals
and Applications”, Ed. David Atwood, Encyclopedia of Inorganic and Bioinorganic Chemistry, John
Wiley and Sons, in press.
3. Recent Developments in the use of Stable Isotope Carbohydrate Tracers for the Study of Human
Health in Carbohydrate Chemistry - Chapter 8, Volume 37, edited by Pilar Rauter. RSC Publishing,
Royal Society of Chemistry. DOI: 10.1039/9781849732765-xxxx, Publication Date 1/12/11.
4. Li+ in bipolar disorder – possible mechanisms of its pharmacological mode of action, Carla P. Fon-
seca , Liliana P. Montezinho and M. Margarida C. A. Castro, In “Bipolar Disorder”, Intech Ed., in
press (printed and electronic book)
b) Artigos em revistas internacionais com arbitragem científica:
Artigos conjuntos com outros labs da rede (2011 e aceites):
1) A Gallium Complex with a New Tripodal Tris-Hydroxypyridinone for Potential Nuclear Diagnos-
tic Imaging: Solution and in vivo Studies of 67Ga-Labeled Species, Silvia Chaves, Ana C. Mendonça,
Sérgio M. Marques, Maria I.M. Prata, Ana C. Santos, André F. Martins, Carlos F.G.C. Geraldes, M.
Amélia Santos , J. Inorg. Biochem., 105, 31-38 (2011). (com Universidade do Minho)
2) Ga(III) chelates of amphiphilic DOTA-based ligands: synthetic route and in vitro and in vivo studi-
es, André Fontes, M. Isabel M. Prata, Carlos F. G. C. Geraldes, João P. André, Nucl. Med. Biology,
38, 363-370 (2011) (com Universidade do Minho).
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3) The Interaction of La3+ Complexes of DOTA/DTPA-Glycoconjugates with the RCA120 lectin: A
Saturation Transfer Difference (STD) NMR Spectroscopic Study, João M. C. Teixeira, David M. Di-
as, F. Javier Cañada, José A. Martins, João P. André, Jesús Jiménez-Barbero, and Carlos F. G. C. Ge-
raldes, J. Biol. Inorg. Chem., 16, 725-734 (2011). (com Universidade do Minho).
4) Gd(III) Chelates as NMR Probes of Protein-Protein Interactions. Case Sudy: Rubredoxin and Cyto-
chrome c3, Rui M. Almeida, Carlos F. G. C. Geraldes, Sofia R. Pauleta, José J. G. Moura, Inorg.
Chem., 50, 10600-10607 (2011). (com UNL)
5) Lanthanide-DTPA Grafted Silica Nanoparticles as Bimodal-Imaging Contrast Agents, Sonia L. C.
Pinho, Henrique Faneca, Carlos F.G.C. Geraldes, Marie-Hélène Delville, Luís D. Carlos, João Rocha,
Biomaterials (in press) (com Univ. Aveiro)
6) Relaxometric studies of "-Fe2O3@SiO2 core shell nanoparticles: when the coating matters, Sonia
L.C. Pinho, Sophie Laurent, João Rocha, Alain Roch, Marie-Hélène Delville, Luis D. Carlos, Luce
Vander Elst, Robert N. Muller, Carlos F.G.C. Geraldes, J. Phys. Chem. C, in press (com Univ. Avei-
ro)
7) Silica Nanoparticles for Bimodal MRI-Optical Imaging via Grafting of Gd3+ and Eu3+/Tb3+
Complexes, Sonia L.C. Pinho, Henrique Faneca, Carlos F.G.C. Geraldes, João Rocha, Luís D.Carlos
and Marie-Hélène Delville, Eur. J. Inorg. Chem., in press. (com Univ. Aveiro)
8) 34) “Influence of 5a-dihydrotestosterone and 17 ss-estradiol on human Sertoli cells metabolism”,
Oliveira P. F., Alves M. G.; Rato L.; Silva, J., Sa, R. Barros, A., Sousa, M., Carvalho, R.A, Cavaco,
J.E., Socorro, S., Journal of Andrology, 34, E612-E620, 2011 (DOI: 10.1111/j.1365-
2605.2011.01205.x ) (com Univ. Beira Interior)
Outros artigos SCI (2011 e aceites):
1) Comparison of different phosphorus-containing ligands complexing 68Ga for PET-imaging of
bone metabolism, M. Fellner, P. Riß, N. Loktionova, K. Zhernosekov, O. Thews, C.F.G.C. Geraldes,
Z. Kovacs, I. Luke#, F. Rösch, Radiochimica Acta, 99, 43-51 (2011).
2) Supramolecular Protamine/Gd-loaded Liposomes Adducts as Relaxometric Protease Responsive
Probes, Sara Figueiredo, João Nuno Moreira, Carlos F.G.C. Geraldes, Silvio Aime, Enzo Terreno,
Bioorg. Medicinal Chem., 19, 1131-1135 (2011).
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3) Interaction of carbonylcyanide p-trifluoromethoxyphenylhydrazone (FCCP) with lipid membrane
systems: a biophysical approach with relevance to mitochondrial uncoupling, João P. Monteiro, An-
dré F. Martins, Marlene Lúcio, Salette Reis, Carlos F.G.C Geraldes, Paulo J. Oliveira and Amália S.
Jurado, J. Bioenerg. Biomembranes, 43, 287–298 (2011).
4) Enantioselective binding of a lanthanide(III) complex to human serum albumin studied by 1H STD
NMR techniques, David M. Dias, João M.C. Teixeira, Ilya Kuprov, Elizabeth J. New , David Parker
and Carlos F.G.C. Geraldes, Org. Biomol. Chem., 9, 5047-5050 (2011).
5) Nimesulide interaction with membrane model systems: are membrane physical effects involved in
nimesulide mitochondrial activity?, João P. Monteiro, André F. Martins, Marlene Lúcio, Salette Reis,
Teresa J. Pinheiro, Carlos F.G.C Geraldes, Paulo J. Oliveira and Amália S. Jurado, Toxicology in
Vitro, 25, 1215-1223 (2011).
6) Yeast Cell Wall Particles: a promising class of nature-inspired microcarriers formultimodal imag-
ing, Sara Figueiredo, João Nuno Moreira, Carlos F.G.C. Geraldes, Silvia Rizzitelli, Silvio Aime, Enzo
Terreno, Chem. Comm., 47, 10635-10637 (2011).
7) .The catalytic domain of MMP-1 studied through tagged lanthanides, Ivano Bertini, Vito Calde-
rone, Linda Cerofolini, Marco Fragai, Carlos F.G.C. Geraldes, Petr Hermann, Claudio Luchinat, Gia-
como Parigi, João M.C. Teixeira, FEBS Lett., in press.
8) Supramolecular Adducts of Negatively Charged Lanthanide(III) DOTP Chelates and Cyclodextrins
Functionalized with Ammonium Groups : Mass Spectrometry and Nuclear Magnetic Resonance Stud-
ies, Giovania A. Pereira, Joop A. Peters, Enzo Terreno, Daniela Delli Castelli, Silvio Aime, Sophie
Laurent, Luce Vander Elst, Robert N. Muller and Carlos F.G.C. Geraldes, Eur. J. Inorg. Chem., in
press.
9) Effects of an oral insulin nanoparticle administration on hepatic glucose metabolism assessed by 13C and 2H isotopomer analysis, Reis, C., Neufeld, R.J., Veiga, F., Figueiredo, I., Jones, J.G., Soares,
A.F., Nunes, P., Damge, C. and Carvalho, R. 2011. J. Microencapsulation (in press).
10) Effects of ALT inhibition on the intermediary metabolism in Sparus aurata through dietary AOA
supplementation, González, J.D., Caballero, A., Viegas, I., Metón, I., Jones, J.G., Barra, J., Fernán-
dez, F. and Baanante, I.V. 2011. Br. J. Nutr. (in press).
94
11) .Sources of hepatic glycogen synthesis following a milk-containing breakfast meal in healthy sub-
jects. Barosa, C., Silva, C., Fagulha, A., Barros, L., Caldeira, M.M., Carvalheiro, M. and Jones, J.G.
2011. Met. Clin & Exp. (in press)
12) Analysis of glucose metabolism in farmed european sea bass (Dicentrarchus labrax L.) using
deuterated water. Viegas, I, Mendes, V.M., Leston, S. Jarak, I., Carvalho, R.A., Pardal, M.A., Mana-
das, B. and Jones, J.G. 2011Comp. Biochem & Physiol. A., 160 , 341-347, 2011 (DOI:
10.1016/j.cbpa.2011.06.029)
13) Postprandial and fasting hepatic glucose fluxes in longstanding type 1 diabetes, Kacerovsky, M.,
Jones, J.G., Schmid, A.I., Barosa, C., Lettner, A., Kacerovsky-Bielesz, G., Szendroedi, J., Chmelik,
M., Nowotny, P., Chandramouli, V., Wolzt, M. and Roden, M. 2011. Diabetes, 60:1752-1758.
14) 2H2O Incorporation Into Hepatic Acetyl-CoA and De novo Lipogenesis as Measured by Krebs
Cycle-Mediated 2H-Enrichment of Glutamate and Glutamine. Silva, A.P., Martins, F., Jones, J.G. and
Carvalho, R.A. 2011, Magn. Res. Med. (in press)
15) Ursodeoxycholic acid treatment of hepatic steatosis: a 13C NMR metabolic study. Nunes, P.M., Jones, J.G., Rolo, A.P., Palmeira, C.M.M. and Carvalho, R.A. 2011. NMR in Biomedicine 24:1145-1158. (DOI: 10.1002/nbm)
16) Transaldolase exchange and its effects on measurements of gluconeogenesis in humans.
Basu, R., Barosa, C., Basu, A., Pattan, V., Saad, A., Jones, J. and Rizza, R. 2011. Am.
J. Physiol. 300, 296-303.
17) "MR elastography of liver tumors: increased viscosity suggests malignancy", Philippe Garteiser,
Sabrina Doblas, Jean-Luc Daire, Mathilde Wagner, Helena Leitao, Valérie Vilgrain, Ralph Sinkus,
Bernard E. Van Beers, European Radiology, in press ( manuscript ID ER-Oct-2011-010966)
18) "Diffusion-weighted MR imaging for the regional characterization of liver tumors", Mathilde
Wagner, Sabrina Doblas, Jean-Luc Daire, Nathalie Haddad, Helena Leitao, Philippe Garteiser, Valé-
rie Vilgrain, Ralph Sinkus, and Bernard E. Van Beers, Radiology, in press ( manuscript RAD-11-
1530.R1)
19) “Structural considerations and reactivity of peroxocomplexes of V(V), Mo(VI) and W(VI)”, M.
Luísa Ramos, Licínia L.G. Justino Hugh D. Burrows, Dalton Perspective, Dalton Trans. 40 (2011)
4374-4383.
DOI: 10.1039/c0dt01095b
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20) “Gel Formation and Interpolymer Alkyl Chain Interactions with Poly(9,9-dioctylfluorene-2,7-
diyl) (PFO) in Toluene Solution: Results from NMR, SANS, DFT, and Semiempirical Calculations
and Their Implications for PFO beta-Phase Formation”, Licínia L.G. Justino, M. Luísa Ramos, Matti
Knaapila, Ana T. Marques, Christof Kudla, Ullrich Scherf, László Almásy, Ralf Schweins, Hugh D.
Burrows and Andrew P. Monkman, Macromolecules 44 (2011) 334-343. DOI: 10.1021/ma102235r
21) M. Luísa Ramos,Licínia L. G. Justino, Adriana Branco, Cláudia M. G. Duarte, Paulo E. Abreu,
Sofia M. Fonseca, Hugh D. Burrows, “NMR, DFT and Luminescence Studies of the Complexation of
Zn(II) with 8-hydroxyquinoline-5-sulfonate”, Dalton Trans. 40 (2011) 11732-11741, DOI:
10.1039/c1dt10978b
21) “Insight on the periodate oxidation of dextran and its structural vicissitudes “, Maia, J, Carvalho, R.A.; Coelho, J.F.J.; Simões, P.N. and Gil, M.H., Polymer, 258-265, 2011. (DOI: 10.1016/j.polymer.2010.11.058) 22) “The effect of the head-group spacer length of 12-s-12 gemini surfactants in the host-guest asso-ciation with beta-cyclodextrin”, Carvalho R. A., Correia, H.A., Valente A. J. M.; Soderman, O. and Nilsson, M., J. Colloid Interface Science, 354, 725-732, 2011 (DOI: 10.1016/j.jcis.2010.11.024) 23) “On the flocculation and re-dissolution of trivalent lanthanide metal ions by sodium dodecyl sul-fate in aqueous solutions”, Pereira, R.F.P., Tapia, M.J.; Valente, A.J.M., Evans, R.C., Burrows, H.D. and Carvalho, R.A., J. Colloid Interface Science, 354, 670-676, 2011 (DOI: 10.1016/j.jcis.2010.10.063). 24) “Sodium hydrosulfide improves the protective potential of the cardioplegic histidine buffer solu-tion”, Alves M.G., Soares, A. F., Carvalho, R. A .and Oliveira, P.J., Eur. J. Pharmacology, 654, 60-67, 2011 (DOI: 10.1016/j.ejphar.2010.12.010). 25) “Regulation of Hepatic Fat and Glucose Oxidation in Rats with Lipid-Induced Hepatic Insulin Resistance”, Alves, T. C.; Befroy, D. E., Kibbey, R. G.; Kahn, M., Codella, R. Carvalho, R.A., Pe-tersen, K.F. and Shulman, G.I., Hepatology, 53, 1175-1181, 2011 (DOI: 10.1002/hep.24170) 26) “Contribution of Catecholamine Reactive Intermediates and Oxidative Stress to the Pathologic Features of Heart Diseases”, Costa V. M., Carvalho F.; Bastos M. L.; Carvalho, R.A. Carvalho, Car-valho, M. and Remião, F. Current Medicinal Chemistry, 18, 2272-2314 (2011) 27) “Metabolic Remodeling During H9c2 Myoblast Differentiation: Relevance for In Vitro Toxicity Studies”, Pereira, S. L., Ramalho-Santos, J.; Branco, A.F.; Sardão, V.A., Oliveira, P.J. and Carvalho, R.A., Cardiovascular Toxicology, 11, 180-190, 2011 (DOI: 10.1007/s12012-011-9112-4) 28) “Facilitated nanoscale delivery of insulin across intestinal membrane models” Woitiski, C.B., Sarmento, B., Carvalho, R.A., Neufeld, R.J. and Veiga, F. , Int. J. Pharmaceutics, 412, 123-131, 2011 (DOI: 10.1016/j.ijpharm.2011.04.003). 29) “Transport properties of aqueous solutions of calcium lactate in the absence and presence of beta-cyclodextrin”, Valente, A. J. M., Ribeiro, A.C. F., Marigese R.B.B.J., Esteso, M.A, Lobo, V.M.M., Journal of Molecular Liquids, 161, 125-131, 2011 (DOI: 10.1016/j.molliq.2011.05.004)
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30) “DNA fragmentation in canine oocytes after in vitro maturation in TCM-199 medium supple-mented with different proteins”, Lopes, G.; Alves, M. G.; Carvalho, R. A., Luvoni, G.C., Rocha, A., Theriogenology, 76, 1304-1312, 2011 (DOI: 10.1016/j.theriogenology.2011.05.037) 31) “Substrate selection in hearts subjected to ischemia/reperfusion: role of cardioplegic solutions and gender”, Alves M.G.; Oliveira, P. J.; Carvalho, R.A, NMR in Biomedicine, 24, 1029-1037, 2011 (DOI: 10.1002/nbm.1640) 32) “Dicationic Alkylammonium Bromide Gemini Surfactants. Membrane Perturbation and Skin Irri-tation”, Almeida, J.A. S.; Faneca, H., Carvalho, R.A.; Marques, E.F., Pais, A.A.C.C., PLOS ONE, 6 (11), e26965, 2011 (DOI: 10.1371/journal.pone.0026965) 33) “Anti-Apoptotic Protection Afforded by Cardioplegic Celsior and Histidine Buffer Solutions to Hearts Subjected to Ischemia and Ischemia/Reperfusion”, Alves, M.G.; Machado, N.G.; Sardão, V.A., Carvalho, R.A. and Oliveira, P.J., Journal of Cellular Biochemistry, 112, 3872-3881, 2011 (DOI: 10.1002/jcb.23320)
34) “Evidence of metabolic switch during human mesenchymal stem cells differentiation in neural-like cells”, Alves M.G.,Gartner A, Pereira T., Amorim, I., Carvalho, R.A., Socorro, S. Oliveira, P.F. Mauricio, A.C., Eur. J. Clinical Investigation, 41, 9-9, 2011 (Proceeding)
c) Artigos em revistas nacionais
Não houve.
5.2. Comunicações
a) Comunicações orais: 1.“Interaction of Gd3+ chelates with Human Serum Albumin as studied by 1H NMR STD techniques,
relaxometry and theoretical modelling techniques”, Carlos FGC Geraldes, Joint WG2 and WG6 meet-
ing of COST D38 Action “Metal-Based Systems for Molecular Imaging Applications”, Torino, Italy,
24-26 March 2011. (Speaker)
2. “NMR studies of the interactions of small Gd3+ – based MRI contrast agents with target proteins”,
Carlos F.G.C. Geraldes., 13th Nuclear Magnetic Resonance Users Meeting (AUREMN), Angra dos
Reis, RJ, Brazil, May 2-6, 2011 (Plenary Speaker)
3. “NMRD profiles of particulate reporters for Magnetic Resonance molecular imaging: does the coat-
ing matter?”, L. Vander Elst, C.F.G.C. Geraldes, S. Pinho, S. Laurent, A. Roch and R.N. Muller, 7th
Conference on Field Cycling NMR Relaxometry, Turin, Italy, 2-4 June 2011.
4. “In vivo evaluation of radiolabeled dextrin nanoparticles for drug delivery”, M. Isabel Prata, C.
Gonçalves, M.F.M. Ferreira, A.C. Santos, C.F.G.C. Geraldes, J. A. Martins and F.M. Gama, COST
D38 WG5 meeting “Targeted Probes”, Leiden Netherlands, June 18, 2011.
5. “Chemical Aspects of Molecular Imaging Design and Biomedical Applications”, C.F.G.C. Ger-
aldes, International Year of Chemistry 2011 (IYC 2011), UNL, Caparica, Portugal, 22 June
2011.(Invited speaker)
6. “NMR as a research tool: from Molecular Structure to Molecular Imaging”, C.F.G.C. Geraldes,
XXII Encontros Nacional da SPQ, Braga, Portugal, 3-6 Julho de 2011.(Plenary speaker)
97
7.”Mn(II)-NODAHep: a new amphiphilic contrast agent for MRI”, A. de Sá, C.F.G.C. Geraldes and
J.P. André, XXII Encontros Nacional da SPQ, Braga, Portugal, 3-6 Julho de 2011.
8. “STD NMR studies of protein binding of Gd(III) chelates”, Carlos F.G.C. Geraldes, EU COST Ac-
tion D38 Final Meeting, Oxford, UK, 13-15 September 2011.(Speaker)
9. “Enantioselective binding of a lanthanide(III) complex to human serum albumin (HSA) studied by
1H STD NMR techniques”, D.M. Dias, J.M.C. Teixeira, I. Kuprov, E. New, D. Parker, C.F.G.C. Ger-
aldes, 14th European Congress on the Spectroscopy of Biological Molecules (14th ECSBM)”, Coim-
bra, Portugal, 29 August-3 September 2011.
10. “Design and some biomedical applications of metal-based targeted Molecular Imaging agents”,
Carlos F.G. C. Geraldes, 11th International Symposium on Applied Bioinorganic Chemistry (ISABC
11), Barcelona, Spain, 2-5 December, 2011. (Plenary speaker)
11. “Lanthanides Binding ClANP-5.2 for NMR of proteins: exploiting PCSs and RDCs in MMP-1
internal dynamics”, João M.C. Teixeira, Claudio Luchinat, Carlos F. G. C. Geraldes,VIII Encontro
Anual do CNBC, Coimbra, Portugal, 19-20 December 2011.
12.Noninvasive Sampling of Murine Hepatic Acetyl-CoA Enrichment with p-Amino Benzoic Acid. J.
Jones, F. Carvalho, A. Gonçalves, J. Barra, M. Caldeira and J. Duarte. European Group for the Study
of Insulin Resistance Annual Meeting, Geneva, Switzeland (Oral).
13. Restoring Metabolic Control in Diabetic Rats by Insulin Replacement. A.F. Soares, R.A. Car-
valho, F.J. Veiga, M.G. Alves, I. Viegas, J.D. González, I. Metón, I.V. Baanante, J.G. Jones; Europe-
an Association for the Study of Diabetes 47th Annual Meeting, Lisbon, Portugal (Oral-Poster).
14. Restoring Metabolic Control in Diabetic Rats by Insulin Replacement. A.F. Soares, R.A. Car-
valho, F.J. Veiga, M.G. Alves, I. Viegas, J.D. González, I. Metón, I.V. Baanante, J.G. Jones; Europe-
an Association for the Study of Diabetes 47th Annual Meeting, Lisbon, Portugal (Oral-Poster).
15. Regulation of hepatic lipid and cholesterol synthesis by PEPCK-C J.A.G. Duarte, A.J. Potts, N.E.
Sunny, S. Satapati, J.G. Jones, S.C. Burgess. European Association for the Study of Diabetes 47th An-
nual Meeting, Lisbon, Portugal (Oral-Poster).
16. Estimating gluconeogenesis from position 3 enrichment of plasma glucose by deuterated water:
avoidance of transaldolase exchange effects. J. Jones, R. Rizza, A. Basu, R. Basu. European Associa-
tion for the Study of Diabetes 47th Annual Meeting, Lisbon, Portugal (Oral-Poster).
17. Sources of Hepatic Glycogen Synthesis in Healthy Subjects Following a Milk-containing Break-
fast. C. Barosa, A. Fagulha, L. Barros, M. Caldeira, M. Bastos, C. Silva, M. Carvalheiro and J. Jones.
European Association for the Study of Diabetes 47th Annual Meeting, Lisbon, Portugal (Oral-Poster).
98
18. Effects and implications of transaldolase activity on glucose flux measurements in humans, Jones
J.G. Glycosciences in the International Year of Chemistry, Lisbon Sept 8-9 2011 (Invited Speaker).
19. The promising pharmacological properties of a Vanadium Compound as assessed by in vivo Mag-
netic Resonance studies. M. Margarida C.A. Castro. 14th European Conference on the Spectroscopy of
Biological Molecules (ECSBM)”, Coimbra, Portugal, 29 Aug.-3 Sept. 2011 (Invited Lecture)
b) Comunicações em painel:
1. “Lanthanide binding CLaNP-5.2 for NMR of proteins: exploiting PCS and RDCs in MMP-1 inter-
nal dynamics”, Ivano Bertini, Linda Cerofolini, Marco Fragai, Carlos F.G.C. Geraldes,Claudio Lu-
chinat and João M. C. Teixeira, Bio-NMR and EAST-NMR Annual User Meeting, Brno, Czech Re-
public, January 24-27, 2011.
2. “Relaxometric and Photoluminescence Studies of Hybrid Nanoparticles for Bimodal Imaging”, S.
Pinho, Carlos F.G.C. Geraldes, Luis Carlos, João Rocha and Marie-Hélène. Delville, Jornadas CI-
CECO, Aveiro, Portugal, 17-18 March 2011.
3. “Yeast Cell Wall Particles as highly sensitive MRI contrast agents”, Sara Figueiredo, João Nuno
Moreira,Carlos F.G.C.Geraldes, Silvio Aime and Enzo Terreno; “Synthesis, characterization and rela-
xometric evaluation of gold nanoparticles functionalized with Gd3+ chelates of new DO3A-N-a-
aminopropionate amide thiol derivatives as MRI contrast agents”, Miguel F. Ferreira, Catarina Mar-
tins, José A. Martins, Paula M. Ferreira, Isabel Prata, Carlos F.G.C. Geraldes, Lothar Helm; Joint
WG2 and WG6 meeting of COST D38 Action “Metal-Based Systems for Molecular Imaging Appli-
cations”, Torino, Italy, 24-26 March 2011.
4. “Synthesis, characterization and relaxometric evaluation of Ln3+ chelates of new DOTA-(D)-Ala-
amino propionate amide ligand derivatives as MRI contrast agents”, M.F. Ferreira, A.F. Martins, C.
Martins, G. Pereira, J.A. Martins, P.M. Ferreira, M.I.M. Prata, S. Petoud, E. Toth, C.F.G.C. Geraldes,
Joint WG2 and WG6 meeting of COST D38 Action “Metal-Based Systems for Molecular Imaging
Applications”, Torino, Italy, 24-26 March 2011.
5. “Relaxometric and Photoluminescence Studies of Hybrid Nanoparticles for Bimodal Imaging”, S.
Pinho, Carlos F.G.C. Geraldes, Luis Carlos, João Rocha and Marie-Hélène. Delville, VI International
Materials Symposium MATERIAIS 2011, Guimarães, Portugal, 18-20 April 2011.
6. “Yeast Shells as Promising Platform for Cell-Tracking MRI Applications”, E. Terreno, S. Figueire-
do, C.F.G.C. Geraldes, J. Nuno Moreira and S. Aime, 20th International Society of magnetic Reso-
nance in medicine (ISMRM) Meeting, Montreal, Canada, 2-6 May 2011.
7. “Relaxometric studies of hybrid nanoparticles as potential contrast agents for MRI and optical im-
aging”, Sonia Pinho, Carlos F.G.C. Geraldes, Henrique Faneca, João Rocha, Luis Carlos, Marie-
Hélène Delville, Workshop on Biotechnology of Aveiro University, Aveiro, Portugal, 20 May 2011.
8. “Synthesis, characterization and relaxometric evaluation of Ln3+ chelates of new DO3A-N-a-
amino propionate amide ligand derivatives as MRI contrast agents”, M.F. Ferreira, A.F. Martins, C.
99
Martins, G. Pereira, J.A. Martins, P.M. Ferreira, M.I.M. Prata, S. Petoud, E. Toth and C.F.G.C. Ger-
aldes; 6th European Molecular Imaging Meeting (EMIM 2011), Leiden, Netherlands, 19-21 June
2011.
9. “Gd-DO3A-PiB derivatives as potential MRI markers for Alzheimer’s disease”, A.F. Martins, J-F
Morfin, A. Hamplova, V. Kubicek, M. Salerno, A. Lazar, C. Pichon, L. Lebegue, F. Suzenet, C. Duy-
kaerts, C.F.G.C. Geraldes, E. Toth, 6th European Molecular Imaging Meeting (EMIM 2011), Leiden,
Netherlands, 19-21 June 2011.
10. “Synthesis, characterization and relaxometric evaluation of gold nanoparticles functionalized with
Gd3+ chelates as MRI contrast agents”, Miguel F. Ferreira, Catarina Martins, Paula T. M. Ferreira,
Isabel Prata, Carlos F.G.C. Geraldes, M. Mousavi, Lothar Helm and José A. Martins; XXII Encontros
Nacional da SPQ, Braga, Portugal, 3-6 Julho de 2011.
11. “Preparation and characterization of quantum dots functionalized with Gd3+ chelates as bimodal
(Fluorescence/MRI) contrast agents for biomedical imaging, J. Gonçalves, Paula T. M. Ferreira,
C.J.R. silva, L.F.F.F. Gonçalves, M.J. Gomes, Carlos F.G.C. Geraldes and J.A. Martins; XXII Encon-
tros Nacional da SPQ, Braga, Portugal, 3-6 Julho de 2011;
12. “Synthesis, characterization and relaxometric evaluation of Ln3+ chelates of novel conjugates of
the DO3A-N- a- aminopropionate chelator as contrast agents for MRI”, M.F. Ferreira, A.F. Martins,
C. Martins, G. Pereira, J.A. Martins, P.M. Ferreira, M.I.M. Prata, S. Petoud, E. Toth, C.F.G.C. Ger-
aldes and J.A. Martins.
13. “NODAHep: a new triaza dicarboxylic chelator for manganese(II)”, A. de Sá, C.F.G.C. Geraldes,
J.P. André; EU COST Action D38 Final Meeting, Oxford, UK, 13-15 September 2011.
14. “Enantioselective binding of a lanthanide(III) complex to human serum albumin (HSA) studied by
1H STD NMR techniques”, D.M. Dias, J.M.C. Teixeira, I. Kuprov, E. New, D. Parker, C.F.G.C. Ger-
aldes; EU COST Action D38 Final Meeting, Oxford, UK, 13-15 September 2011.
15. “Gd-DO3A-PiB derivative: a potential MRI marker for the diagnostic of Alzheimer’s disease”,
A.F. Martins, J-F Morfin, A. Hamplova, V. Kubicek, C. Pichon, F. Suzenet, M. Salerno, A. Lazar, C.
Duykaerts, C.F.G.C. Geraldes, E. Toth; EU COST Action D38 Final Meeting, Oxford, UK, 13-15
September 2011.
16. “Synthesis, characterization and relaxometric evaluation of gold nanoparticles functionalized with
Gd3+ chelates as high relaxivity MRI contrast agents”, Miguel F. Ferreira, Paula T. M. Ferreira, Car-
los F.G.C. Geraldes, M. Mousavi, Lothar Helm and José A. Martins; EU COST Action D38 Final
Meeting, Oxford, UK, 13-15 September 2011;
17.“Yeast Cell Wall Particles: a novel imaging platform for labeling cells of immune systems”, Enzo
Terreno, Sara Figueiredo, S. Rizzitelli, João Nuno Moreira, Carlos F. Geraldes, Silvio Aime, EU
COST Action D38 Final Meeting, Oxford, UK, 13-15 September 2011.
18. “Enantioselective binding of a lanthanide(III) complex to human serum albumin (HSA) studied by 1H STD NMR techniques”, D.M. Dias, J.M.C. Teixeira, I. Kuprov, E. New, D. Parker, C.F.G.C. Ger-
100
aldes, 14th European Congress on the Spectroscopy of Biological Molecules (14th ECSBM)”, Coim-
bra, Portugal, 29 August-3 September 2011.
19. “Why is HEPES better than other buffers for 68Ga Labeling?”, Maria Isabel Prata, Sérgio Ro-
drigues, Carlos F. Geraldes and André F. Martins; “Gd-loaded Yeast Cell Wall Particles as an innova-
tive micron-sized platform for labeling and tracking immune cells by multimodal imaging”, Sara
Figueiredo, João Nuno Moreira, Carlos F. Geraldes, Silvio Aime, Enzo Terreno, World Molecular
Imaging Meeting (WMIC 2011), San Diego, California, USA, 7-10 September 2011.
20. “Yeast Cell Wall Particles: an innovative platform for tracking macrophages by MRI, Enzo Ter-
reno, Sara Figueiredo, João Nuno Moreira, Carlos F. Geraldes, Silvio Aime; “Coating and its influ-
ence on the relaxivity of MRI superparamagnetic particles”, S.L. Pinho, S. Laurent, J. Rocha, A.
Roch, M.H. Delville, Luce Vander Elst, Robert N. Muller, C.F.G.C. Geraldes, 28th Annual Scientific
Meeting of the European Society of Magnetic Resonance in Medicine and Biology (ESMRMB 2011),
Leipzig, Germany, 6-8 October 2011.
21. Differential contributions of glycerol and fatty acyl synthesis to the hepatic triglyceride pool dur-
ing normal and high-fat feeding João A.G. Duarte, John G. Jones, Shawn C. Burgess. Keystone
Symposia; E2: Lipid Biology and Lipotoxicity, Killarney, Republic of Ireland, May 15-22 2011
(Poster).
22. In vivo MR approaches to validate the capacity of a new vanadium compound as a prom-ising anti-diabetic drug, A. M. Metelo, R. Pérez - Carro, M. M. C. A. Castro and P. López – Larrubia. 19th Annual Scientific Meeting of the International Society of Magnetic Resonance in Medicine (ISMRM-2011), Montréal, Quebec, Canada, 7-13 May 2011. 23. "Structural and Photophysical Studies on Complexes of 8-Hydroxyquinoline-5-Sulfonate with
Al(III), Ga(III), Zn(II) and Cd(II) for Optoelectronic and Sensing Applications", H.D. Burrows, M.L.
Ramos, S.M. Fonseca, L.L.G. Justino, A.R.E. Sousa, A. Branco, XXII EncontroNacional de Química
da SPQ, 2011, 3-6 Julho, Braga (Portugal).
24. “Conformational and specific solvent effects on the photophysics of distyrylbenzene and dis-
tyrylstylbene oligomers in solution”, T. Costa, R. Di Paolo, L. Garner, J. Almeida, L.L.G. Justino, A.
L. Maçanita, S. Seixas de Melo, G. Bazan and H. D. Burrows, III Jornadas Ibéricas de Fotoquímica
September 4th-7th, Granada, Spain.
25. “An investigation on the polymorphism of racemic betaxol”, Teresa M. R. Maria, Ricardo A. E.
Castro, M. Ramos Silva, Hugh D. Burrows, M. Luísa Ramos, Licínia L. G. Justino, JoãoCanotilho,
M. Ermelinda S. Eusébio, 2nd World Conference on Physico-Chemical Methods in Drug Discovery
and Development, September 18th-22th, Zadar, Croatia.
5.3 Formação Avançada concluída em 2011 (em que a RMN seja relevante)
a) Teses de Doutoramento: Ana Francisca Leal Silva Soares
101
“Profiling the control of hepatic glucose and lipid metabolism for evaluating novel strategies of insulin delivery”, Doutoramento em Bioquímica, na especialidade de Biofísica Celular, Universidade de Coimbra, Junho, 2011 Colaboração com o CICECO, Universidade de Aveiro, na orientação Tese de Doutoramento de Sónia
Luzia Claro de Pinho, “Nanopartículas Multifuncionais para Imagem de RM e Fluorescência”, ori-
entada pelos Professores Doutores João Rocha e Luis Carlos.
b) Teses de Mestrado: 1) David Miguel Gaspar Ferreira Dias: “High-Resolution Saturation Transfer Difference (STD) 1H
NMR techniques and Docking simulations applied to Protein-ligand interactions”, FCT, Universidade
de Coimbra, Junho de 2011
2) Henrique Daniel F. Carvalho, “Structural, Physicochemical and Photophysical Studies of New
Cyclen Derivatives and Evaluation of Their Potential as MRI and MRI/NIR Probes”, FCT, Univer-
sidade de Coimbra, Setembro de 2011
3) Rui Filipe Silva Carvalho: “Nanopartículas como potencias agentes de contraste para Imagem de
Ressonância Magnética: caracterização físico-química de polioxometalatos (POMs) contendo iões
lantanídeos (III) e suas nanopartículas revestidas de sílica”, FCT, Universidade de Coimbra, Setembro
de 2011
4) Filipa Carvalho Supervisor: Madalena Caldeira (FCTUC, Univ. Coimbra)
Co-supervisor: John G. Jones (CNC, Univ. Coimbra).
Title of MSc Thesis: “Noninvasive analysis of hepatic acetyl-CoA by Chemical Biopsy”
MSc in Chemistry (Environmental & Quality Control).
5) Andreia Raquel Esteves de Sousa, “Estudo da complexação da 8-hidroxi-5-sulfoxiquinolina com
os metais alumínio e gálio em solução aquosa”, Mestrado em Química, Departamento de Química,
Julho de 2011.
6) Joana Filipa Costa Simões, “Estudo de bases de Schiff para a complexação e detecção de metais
pesados”, Mestrado em Química Forense, Departamento de Química, Setembro de 2011.
c) Outros (Pós-doc, BIC, etc)
102
1. Catarina I.O. Martins, Bolsa de Iniciação Científica (BIC) associada ao projecto “Targeted nano-
constructs for multimodal medical molecular imaging”, PI Carlos Geraldes (PTDC/QUI/70063/2006):
concluido em Março de 2011.
2. Adriana Branco, “Sondas Luminescentes para detecção de metais do grupo 12” Estágio Laborato-
rial, Mestrado em Química, Departamento de Química, Julho de 2011.
3. Josiane KönzgenSchneid, “Estudos estruturais da interacção dos iões Cr(III), Mo(VI) e W(VI),
Estágio Laboratorial, Licenciatura em Química, Departamento de Química, Julho de 2011.
6. Desvios às acções programadas (de acordo com a proposta de actividades
e solicitação de financiamento)
1) O número de visitas de elementos exteriores ao Laboratório de Coimbra para utilização do
V600, embora tenha melhorado em relação ao ano anterior, foi ainda ligeiramente inferior ao
esperado e bastante curtas, o que se reflectiu na utilização da verba de deslocações inferior ao
esperado, a qual foi utilizada na sua maior parte para deslocações de elementos do Laborató-
rio de Coimbra a Centros de campo alto da região de Lisboa.
103
7. Plano de actividades para 2012
Evento ou tarefa Jan-Jun 2012 Jul-Dez 2012
Encontros Científicos Participação na Comissão Científica e Organi-
zadora do IV Iberoamerican NMR Meeting/ VI
GERMN Bienal Meeting//III Iberian NMR
Meeting, a realizar em Aveiro em Setembro de
2012
Cursos PTNMR Hands-on course
“NMR Spectroscopy: fundamental
concepts and applications”
NMR Groups, Coimbra
Seminários Kevin Brindle
Univ. Cambridge, UK
Outros
104
U.Coimbra -‐ Química
105
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MODELO DE RELATÓRIO ANUAL Parte A – Componente Científica 1. Identificação do Projecto Designação da Rede: Rede Nacional de Ressonância Magnética Nuclear Investigador Responsável/Representante da Instituição/ Unidade: Professor Baltazar M. Romão de Castro Instituição Participante: Universidade do Porto Data a que reporta o relatório Data de início: 1 de Janeiro de 2011 Data de Fim: 31 de Dezembro de 2011 Financiamento concedido: 21 485,05 ! 2. Ficha da Unidade 2.1. Designação da Unidade de Rede: Laboratório de Ressonância Magnética Nuclear da Universidade do Porto 2.2. Gestor da Unidade: Professora Maria da Conceição Rangel
2.3. URL: A página web do LRMN da UP está associada ao website do CEMUP
(http://www.cemup.up.pt/cemup3lrmn.htm) 2.4. Equipamento (listar por espectrómetro) BRUKER AVANCE III 400, 400 MHz
O espectrómetro permite a análise de amostras em fase líquida e está equipado com unidades que permitem realizar experiências na gama de temperatura de -150ºC to 180°C.
O laboratório possui duas sondas multi-nucleares para operação no espectrómetro: (a) uma sonda de banda larga BB-1H-D 5 mm; (b) uma sonda inversa de banda larga e de alta resolução an inverse 1H-BB-D 5 mm. Estas sondas permitem a análise dos seguintes núcleos: 1H, 13C, 15N, 31P, 19F and 51V.
3. Actividades 3.1. Utilização dos espectrómetros: (tempo não utilizado/ tempo utilizadores externos/tempo utilizadores internos/tempo manutenção/tempo formação)
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Tempo não utilizado
Utilizadores externos (1)
Utilizadores internos (74)
Manutenção
Formação (enchimentos He e N2 + Apoio
técnico)
84.08 dias (23 %)
8h 6618.65 h 27h+74h = 101 h 14.4h
0.33 dias (0.09 %) 275.78 dias (75.6 %) 4.21 dias (1.15 %) 0.6 dias ( 0.16 %)
3.2. Serviços (a empresas e outras entidades académicas externas à Rede) Não há serviços a reportar.
3.2. Formação: técnicos, utilizadores, etc O laboratório de RMN é fundamental na formação dos alunos de 1º (Licenciatura), 2º (Mestrado) e 3º ciclos (Doutoramento) de estudos da Universidade do Porto Em termos de formação específica em RMN, podemos referir que existem:
a) uma componente de RMN na disciplina de Métodos Espectroscópicos da Licenciatura em Química e em Bioquímica;
b) uma componente de RMN na disciplina de Técnicas Espectroscópicas dos Mestrados em Química e em Bioquímica;
c) disciplinas de Análise Estrutural dos Programa Doutoral em Química Sustentável e Programa Doutoral em Química. d) um programa interno de formação de utilizadores dos espectrómetros, ao nível do doutoramento e do pós-doutoramento.
3.3. Eventos organizados (RMN): cursos, workshops, conferências, acções de divulgação, etc. Não houve eventos organizados.
3.4. Projectos de investigação iniciados em 2011 em que a RMN seja relevante, com referência particular aos realizados em colaboração com outros labs da Rede de RMN (Ref./Título) PTDC/SAU-FAR/111414/2009: “Developing strategies to understand antibiotics influx at a molecular level”. 1 Abril 2011 –30 de Abril 2014.
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PTDC/QUI-QUI/105304/2008: "Silica nanoparticles as supports for homogeneous catalysts: a gateway to Nanocatalysis", financiado pela FCT e FEDER. 1 Junho 2010 – 31 de Maio 2013.
PTDC/CTM/108820/2008: "Novel functional textiles obtained by incorporation of silica nanoparticles and carbon nanotubes: production, characterization and applications", financiado pela FCT e FEDER. 1 Junho 2010 – 31 de Maio 2013. Projecto: PTDC/CTM/101484/2008, “CHITOSAMP - CHITOSan-AntiMicrobial Peptide-based biomaterials for the treatment of osteomyelitis”, Início: 1 de Março de 2010. 3.5. Formação avançada iniciada em 2011 em que a RMN seja relevante, com referência particular à realizada em colaboração com outros labs da Rede de RMN Doutoramentos Natércia do Carmo Valente Teixeira. Síntese e purificação de prodelfinidinas: reatividade com antocianinas e estudo das suas propriedades físico-químicas e biológicas. Bolsa FCT: SFRH/BD/70053/2010.
Alexandra Maria Neves Gaspar FCT SFRH / BD / 43531 / 2008 New therapeutic approaches in cancer: Rational design and synthesis of new adenosine A3 receptor ligands
Maria João Correia Pinto Carvalho de Matos SFRH/BD/61262/2009. Síntese e avaliação farmacológica de compostos heterocíclicos de núcleo cumarínico: híbridos cumarina-resveratrol
Elsa Margarida Barros dos Reis SFRH/BD/79768/2011. Development of new adenosine receptor A3 ligands as a strategic approach for obtaining a drug candidate for anticancer therapy
Nuno Tiago Barros Silva SFRH/BD/79671/2011. Multi-Target Directed Drugs for Neurodegenerative Diseases
Mestre José Carlos Santos Teixeira SFRH/BD/79658/2011 New mitochondria-targeted antioxidants based on cinnamic scaffold as a therapeutic solution for neurodegenerative diseases.
Mestrados -Marlene Andreia Pereira Costa. Síntese e determinação quantitativa da distribuição de antioxidantes em emulsões óleo/água e correlação com a sua capacidade antioxidante.
-Ester Sofia Benfeito. Desenvolvimento de novos antioxidantes baseados no ácido cinâmico. -Jose Dias. Encapsulação de compostos bioactivos.
-Ana Catarina Oliveira . Desenvolvimento de novos antioxidantes baseados no ácido benzoico. - Ana Amorim. Design de novos fluoróforos utilizando novas metodologias mais limpas e mais eficientes.
- Outros bolseiros Pós-doutorados:
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Doutor Elias Neftali Quezada Gonzalez, SFRH/BPD/74596/2010. Síntese de analogos de curcumina com diferentes aplicações farmacológicos
Doutor Fernando Cagide Fagin SFRH/BPD/72923/2010. Targeting natural antioxidants to mitochondria: a new therapeutic approach on neurodegenerative diseases
Outros bolseiros: Mestre Joana Reis bolseira do projecto PTDC/QUI-QUI/113687/2009
Mestre Pedro Soares bolseiro do projecto PTDC/QUI-QUI/113687/2009 4. Actividades de Networking Não existiu no presente ano
5. Indicadores de resultados 5.1. Publicações - Artigos em revistas internacionais D. F. Brougham, G. Ivanova, M. Gottschalk, D.M. Collins, A. Eustace, R. O’Connor, J. Havel. Artificial Neural Networks for Classification in Metabolomic Studies of Whole Cells Using 1H Nuclear Magnetic Resonance. Journal of Biomedicine and Biotechnology, Volume 2011 (2011), doi:10.1155/2011/158094.
Galya Ivanova, Margarita Simeonova, Eurico J. Cabrita, Maria Rangel. NMR insight into the supramolecular structure of daunorubicin loaded polymer nanoparticles. J. Phys. Chem. B 115 (2011) 902–909; doi: 10.1021/jp109738e. Christova, N., Tuleva, B. , Cohen, R., Ivanova, G. , Stoev, G. , Stoilova-Disheva, M. , Stoineva, I. Chemical Characterization and Physical and Biological Activities of Rhamnolipids Produced by Pseudomonas aeruginosa BN10. Zeitschrift fur Naturforschung - Section C Journal of Biosciences, 66 C (7-8) (2011) 394-405. Nadezhda Markova, Galya Ivanova, Venelin Enchev, Margarita Simeonova. Tacticity of poly(butyl-"-cyanoacrylate) chains in nanoparticles: NMR spectroscopy and DFT calculations. Structural Chemistry (2011), in press, DOI: 10.1007/s11224-011-9928-3.
Lyubomir Georgiev, Maya Chochkova, Galya Ivanova, Hristo Najdenski, Mariana Ninova,Tsenka Milkova. Radical scavenging and antimicrobial activities of cinnamoyl amides of biogenic monoamines. La rivista italiana delle sostanze grasse, 2011, in press. Andreia Leite, Ana M. G. Silva, Ana Nunes, Mariana Andrade, Carla Sousa, Luís Cunha-Silva, Paula Gameiro, Baltazar de Castro, Maria Rangel, “Novel tetradentate chelators derived from 3-hydroxy-4-pyridinone units: synthesis, characterization and aqueous solution properties”, Tetrahedron, 2011, 67, 4009-4016 doi:10.1016/j.tet.2011.04.035. A. M. G. Silva, A. Leite, P. Gonzalez, M. R. M. Domingues, P. Gameiro, B. de Castro, M. Rangel “Use of a porphyrin platform and 3,4-HPO chelating units to synthesize ligands with N4 and O4 coordination sites” Tetrahedron 2011, 67, 7821-7828. doi:10.1016/j.tet.2011.07.063.
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R. Gonçalves, N. Mateus, V. A. P. de Freitas. Influence of carbohydrates on the interaction of procyanidin B3 with trypsin. J. Agr. Food Chem. 2011, 59, 11794-11802.
R. Gonçalves, N. Mateus, I. Pianet, V. A. P. de Freitas. Mechanisms of tannin-induced trypsin inhibition: a molecular approach. Langmuir 2011, 27(21), 13122-13129.
V. A. P. de Freitas, N. Mateus. Pyranoanthocyanins, a new class of anthocyanin derivatives in red wines. Anal. Bioanal. Chem. 2011, 401, 1463-1473.
J. Oliveira, N. Mateus, E. Borges, E. J. Cabrita, A. M. S. Silva, V. de Freitas. Synthesis of new pyranoanthocyanin dimers linked through a methyl-methyne bridge. Tetrahedron Lett. 2011, 52, 2957-2960. J. He, A. M. S. Silva, N. Mateus, V. A. P. de Freitas. Oxidative formation and structural characterization of new "-pyranone (lactone) compounds of non-oxonium nature originated from fruit anthocyanins. Food Chem. 2011, 127, 984-992.
J. Oliveira, N. Mateus, V. de Freitas. Synthesis of a new bluish pigment from the reaction of a methylpyranoanthocyanin with sinapaldehyde. Tetrahedron Lett. 2011, 52, 1996-2000.
J. Oliveira, V. Petrov, A. J. Parola, F. Pina, J. Azevedo, N. Teixeira, N. Brás, N. Mateus, M. J. Ramos, V. A. P. de Freitas. Chemical behavior of methylpyranomalvidin-3-glucoside in aqueous solution studied by NMR and UV-Visible spectroscopy. J. Phys. Chem. B 2011, 115, 1538-1545. F. Paiva-Martins, V. Rodrigues, R. Calheiros and M.P.M. Marques, “Antioxidant olive oil polyphenols – Identification and structural elucidation.” (2011) J Sci Food Agric, 91, 309-314. Xerardo García-Mera , José E. Rodríguez-Borges , M. Luísa C. Vale, Maria J. Alves. Highly diastereoselective synthesis of 2-azabicyclo[2.2.1]hept-5-ene derivatives: Bronsted acid catalyzed aza-DielseAlder reaction between cyclopentadiene and imino-acetates with two chiral auxiliaries. Tetrahedron 67 (2011), 7162-7172. Rodrigo O. Brito, Sandra G. Silva, Ricardo M.F. Fernandes, Eduardo F. Marques, José Enrique-Borges, Maria Luísa C. do Vale. Enhanced interfacial properties of novel amino acid-derived surfactants: Effects of headgroup chemistry and of alkyl chain length and unsaturation. Coll. Surf. B: Biointerfaces 86 (2011), 65-70. Carlos A. D. Sousa, Fabio Rizzo-Aguiar, M. Luísa C. Vale, Xerardo García-Mera, Olga Caamaño, José E. Rodríguez-Borges. A route to selective functionalization of polyhydroxypyrrolidines. Terahedron. Lett. (2012), doi:10.1016/j.tetlet.2011.12.037.
J. Oliveira, N. Mateus, J. E. Rodriguez-borges, E. J. Cabrita, A. M. S. Silva,V. Freitas . Synthesis of a new pyranoanthocyanin dimer linked through a methyl-methine bridge. Tetrahedron Letters 2011, 52, 2957–2960. Doi: 10.1016/j.tetlet.2011.03.125.
Manuel Algarra, José E. Rodríguez-Borges, Joaquim C. G. Esteves da Silva. Niclosamide quantification in Methyl-beta-cyclodextrin after derivatization to aminoniclosamide
Journal of Inclusion Phenomena and Macrocyclic Chemistry 2011, in press. Doi: 10.1007/s10847-011-9945-2.
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M. S. Miranda, J. E. Rodríguez-Borges, J. C. G. Esteves da Silva and Xerardo Garcia-Mera. Aza-Diels-Alder Reaction between Cyclopentadiene and protonated N-phenylethyliminoacetates of 8-Phenylmenthol and 8-Phenylneomenthol: a density functional theory study Journal of Physical Organic Chemistry 2011, in press. DOI 10.1002/poc.1949
Menezes JC, Kamat SP, Cavaleiro JA, Gaspar A, Garrido J, Borges F. Synthesis and antioxidant activity of long chain alkyl hydroxycinnamates. Eur. J Med Chem., 2011, 46(2), 773-7.
Gaspar A, Reis J, Fonseca A, Milhazes N, Viña D, Uriarte E, Borges F. Chromone 3-phenylcarboxamides as potent and selective MAO-B inhibitors. Bioorg Med Chem Lett. 2011, 21(2), 707-9. Gaspar A, Teixeira F, Uriarte E, Milhazes N, Melo A, Cordeiro MN, Ortuso F, Alcaro S, Borges F..Towards the discovery of a novel class of monoamine oxidase inhibitors: structure-property-activity and docking studies on chromone amides. ChemMedChem. 2011, 6(4), 628-32.
Fernando Cagide, Joana Reis, Alexandra Gaspar, Fernanda Borges. Accelerating lead optimization of chromone carboxamide scaffold throughout microwave-assisted organic synthesis. Tetrahedron Letters, 2011, 52, 30, 6446-6449. Maria Joao Matos, Saleta Vazquez-Rodriguez, Fernanda Borges, Lourdes Santana, Eugenio Uriarte . Synthesis of 3-arylcoumarins via Suzuki-cross-coupling reactions of 3-chlorocoumarin . Tetrahedron Letters, 2011, 52, 11, 1225-1227
- Artigos em revistas nacionais Não há artigos em revistas nacionais 5.2. Comunicações Orais Rangel, M., Hydroxypyridinones: chelators for novel therapeutic strategies, XXII Encontro Nacional SPQ (Braga, Portugal, Julho 2011).
A. M. G. Silva, A. Leite, P. Gonzalez, M. R. M. Domingues, P. Gameiro, B. de Castro, M. Rangel “Design of porphyrin conjugates functionalized with peripheral 3,4-HPO chelating units”, XXII Encontro Nacional SPQ, Braga, 2011. N. Mateus, J. Oliveira e V. A. P. de Freitas. Anthocyanin-derived pigments – New colours from nature to the lab. 3rd Young Investigators of the Organic Division of EuCheMS (Heraklion, Grécia, Julho de 2011).
J. Oliveira, V. Petrov, J. Parola, F. Pina, N. Mateus, V. A. P. de Freitas. Chemical behavior of methylpyranomalvidin-3-O-glucoside in aqueous solution studied by NMR and UV-visible spectroscopy. In Vino Analytica Scientia 2011 (Graz, Austria, Julho 2011). R. Gonçalves, N. Mateus, I. Pianet, M. Laguerre, V. A. P. de Freitas. Studying the interaction between trypsin and procyanidins using STD-NMR. 4th Iberian Meeting on Colloids and Interfaces (Porto, Portugal, Julho 2011).
145
R. Gonçalves, N. Mateus, F. Pina, V. A. P. de Freitas. Inhibition of pancreatic lípase by phenolics. XXII Encontro Nacional SPQ (Braga, Portugal, Julho 2011).
A. Sousa, A. Fernandes, N. Mateus, V. A. P. de Freitas. Synthesis and structural characterization of oaklin dimers. 9th Symposium International d’Oenologie (Bordeaux, França, Junho de 2011).
Carlos Bravo Díaz, Sónia Losada-Barreiro, Verónica Paz, Patrícia Torres, Fátima Paiva-Martins. Correlation between the antioxidant efficiency and the antioxidant distribution between the oil, water and interfacial regions of model Food emulsions. 4th Iberian Meeting on Colloids and Interfaces (Porto, Portugal, Julho 2011).
F. Paiva-Martins, A. F. Silva, M. Carvalheira, E. Borges, J. Fernandes, H. Nascimento, L. Belo, A. Santos-Silva, Synthesis of olive oil phenol glucuronides and biological activity assessment, 5th International Conference on Polyphenols and Health (Sitges, Outubro de 2011).
Em painel C. Queirós, A. M. G. Silva, G. Ivanova, P. Gameiro, M. Rangel “A fluorescein-catechol conjugate to sense biologically relevant metal ions”. QI-CP12, XXII Encontro Nacional SPQ, Braga, 2011. T. Moniz, A. M. G. Silva, C. Queirós, I. Cardoso, G. Ivanova, M. S. Gomes, M. Rangel “Design of Fluorescent Hexadentate 3-hydroxy-4-pyridinone Iron(III) Chelators with Antimycobacterial Activity”. QI-CP13, XXII Encontro Nacional SPQ, Braga, 2011.
I. Cardoso, A. M. G. Silva, S. C. Lopes, P. Gameiro, M. Rangel, B. de Castro “Microwave-assisted synthesis of 4’-substituted rosamine-type fluorophores” QI-CP55, XXII Encontro Nacional SPQ, Braga, 2011. A. D. S. Barbosa, A. M. G. Silva, M. Rangel, L. Cunha-Silva, B. de Castro “Microwave Assisted Synthesis of Coordination Polymers: MIL 47 and MIL 53”, IV IJUP, 2011. I. Cardoso, A. M. G. Silva, M. Rangel, B. de Castro “Synthesis of rhodamine fluorophores using cleaner and more efficient methodologies” 490, IV IJUP, 2011. T. Moniz, A. M. G. Silva, C. Queirós, I. Cardoso, M. Rangel “Design of fluorescent 3-hydroxy-4-pyridinone hexadentate Iron(III) Chelators with potential Antimycobacterial Activity”445, IV IJUP, 2011.
R. Gonçalves, N. Mateus, I. Pianet, M. Laguerre, V. de Freitas,. New insights on the interaction between trypsin and procyanidins by STD-NMR. 5th International Conference on Polyphenols and Health (Sitges, Outubro de 2011). L. Cruz, E. Borges, N. Mateus, V. de Freitas. Preliminary approach to the synthesis of anthocyanin-(4,8)-flavanol pigments. 6th International Workshop on Anthocyanins (Charlotte, EUA, Setembro de 2011).
F. Nave, V. Petrov, N. Teixeira, N. Mateus, F. Pina, V. de Freitas. Uncharted waters: the behaviour of anthocyanins in hydroalcoholic solutions. 6th International Workshop on Anthocyanins (Charlotte, EUA, Setembro de 2011). J. Oliveira, N. Mateus, V. de Freitas. The blue colors of anthocyanin derivatives. 6th International Workshop on Anthocyanins (Charlotte, EUA, Setembro de 2011).
146
L. Cruz, V. Petrov, N. Teixeira, N. Mateus, F. Pina, V. A. P. de Freitas. Contribution of different types of pyranoanthocyanins to the red wine color. In Vino Analytica Scientia 2011 (Graz, Austria, Julho 2011). A. Sousa, A. Fernandes, N. Mateus, V. A. P. de Freitas. Synthesis and structural characterization of oaklin dimers. In Vino Analytica Scientia 2011 (Graz, Austria, Julho 2011). A. Sousa, A. Fernandes, N. Mateus, V. A. P. de Freitas. Synthesis and structural characterization of oaklin dimers. XXII Encontyro Nacional SPQ (Braga, Portugal, Julho 2011). J. Oliveira, N. Mateus, V. A. P. de Freitas. Synthesis of a new bluish pigment from the reaction of a methylpyranoanthocyanin with sinapaldehyde. 17th European Symposium on Organic Chemistry (Creta, Grécia, Julho 2011).
A. Sousa, A. Fernandes, N. Mateus, V. A. P. de Freitas. Synthesis and structural characterization of oaklin dimers. 9th Symposium International d’Oenologie (Bordeaux, França, Junho de 2011).
L. Cruz, V. Petrov, N. Teixeira, N. Mateus, F. Pina, V. A. P. de Freitas. Contribution of different types of pyranoanthocyanins to the red wine colour. 9th Symposium International d’Oenologie (Bordeaux, França, Junho de 2011). A. F. Silva, M. Carvalheira, E. Borges, L. Belo, Fernandes J, H. Nascimento, A. Santos-Silva, F. Paiva-Martins. Synthesis of olive oil phenol glucuronides and biological activity assessment, XXII Encontro Nacional SPQ (Braga, Portugal, Julho 2011).
S. Goreti Silva, Ricardo F. Fernandes, Eduardo F. Marques, M. Luísa C. do Vale Novel bis-quat gemini surfactants based on serine: synthesis and micellization properties
XXII Encontro Nacional SPQ, Braga (Portugal), Julho 2011. F. David Félix, S. Goreti Silva, Eduardo F. Marques, M. Luísa C. do Vale
Synthesis and aqueous self-assembly of serine-derived surfactants: towards biofriendly catanionic vesicles
XXII Encontro Nacional SPQ, Braga (Portugal), Julho 2011. S. Goreti Silva, Eduardo F. Marques, M. Luísa C. do Vale
Synthesis and interfacial properties of novel serine-based bis-quat gemini surfactants 4th Iberian Meeting on Colloids and Interfaces (RICI4), Porto (Portugal), Julho 2011.
F. David Félix, S. Goreti Silva, Eduardo F. Marques, M. Luísa C. do Vale Catanionic vesicles based on serine-derived surfactants: from surgactant synthesis to self-assembly
4th Iberian Meeting on Colloids and Interfaces (RICI4), Porto (Portugal), Julho 2011. M. Luísa C. do Vale, S. Goreti Silva, Cláudia M. Alves, João B. Simão, Paul M. da Costa, J. Martinho Peres, Eduardo F. Marques Influence of the nature of the spacer linkage on the physicochemical and toxicological profile of novel serine-based gemini surfactants 4th Iberian Meeting on Colloids and Interfaces (RICI4), Porto (Portugal), Julho 2011.
147
Mariana Ornelas, Dianne Silva, Maria J. Araújo, Eduardo F. Marques, Manuel Azenha, António F. Silva
Glycylglycine-templated spherical particles through diferente emulsion techniques 4th Iberian Meeting on Colloids and Interfaces (RICI4), Porto (Portugal), Julho 2011.
Sandra Monteiro, Maria João Araújo and Eduardo F. Marques Associative behavior in mixtures of polycations and na anionic lysine-based surfactant: from tubules and vesicles to gels 4th Iberian Meeting on Colloids and Interfaces (RICI4), Porto (Portugal), Julho 2011.
S. V. Costa, N. Vale, J. Matos, R. Moreira, P. Gomes, M. S. Gomes Comparative study of the leishmanicidal activity of imidazoquine derivatives of primaquine against Leishmania infantum. KMBC 2011 (Boston, Estados Unidos da América, 2011).
J. R. Oliveira, L. Mafra, M. C. Martins, P. Gomes Síntese e caracterização estrutural de um biopolímero catiónico “clicável”.
XXII Encontro Nacional da SPQ – 100 anos de Química em Portugal (Braga, Portugal, 2011). P. Gomes
Peptidomimetic and organometallic derivatives of primaquine as new tools against exo-erythrocytic stages of malaria parasites.
ESOC 2011 – European Symposium on Organic Chemistry (Creta, Grécia, 2011). P. Gomes
Drug recycling in neglected disease therapy: new primaquine derivatives against exo-erythrocytic malaria parasites.
4th International Symposium on Advances in Synthetic and Medicinal Chemistry 2011 (S. Petersburgo, Rússia, 2011).
S. Vale-Costa, N. Vale, A. Tomás, R. Moreira, P. Gomes, M. S. Gomes Evaluation of dipeptide and peptidomimetic derivatives of primaquine against Leishmania infantum.
New INDIGO Workshop “Antiparasitic and antitumour drugs” (Porto, Portugal, 2011). P. Kadhirvel, M. Azenha, S. Shinde, P. Gomes, B. Sellergren, A. F. Silva
Ionic liquid based functional monomer synthesis for the imprinting of anti-inflammatory drug naproxen: sol-gel approach.
Graduate Student Symposium on Molecular Imprinting (Londres, Reino Unido, 2011). Fernanda Borges, Alexandra Gaspar, Jorge Garrido, E. Manuela Garrido, Tiago Silva, Joana Reis, Fernando Cagide, Nuno Milhazes, Omidreza Firuzi, Luciano Saso Antioxidant therapy: in search of the 'magic bullet'
2nd World Congress on Targeting Mitochondria Berlin, 2011, October 20-21, 2011.
148
José Teixeira, Alexandra Gaspar, Jorge Garrido, Jorge M. A. Oliveira, Michael P. Murphy, Fernanda Borges
Toward the discovery of new lipophilic antioxidants based on cinnamic acid scaffold as mitochondria-directed neuroprotective agents
2nd World Congress on Targeting Mitochondria Berlin, 2011, October 20-21, 2011. José Teixeira, Alexandra Gaspar, Jorge Garrido, Jorge M. A. Oliveira, Michael P. Murphy, Fernanda Borges Fine-tuning the hydrophobicity of natural antioxidants: development of innovative mitochondria-targeted antioxidants based on the cinnamic acid scaffold 10th Indo-Italian Workshop on Chemistry and Biology of Antioxidants, 2011, Rome, 10-12 November 2011. Tiago Silva, Alexandra Gaspar, José Teixeira, Nuno Leal, Fernanda Borges, Jorge Garrido
New solutions for an old problem: surpassing the pharmacokinetic drawbacks of natural phenolic antioxidants
10th Indo-Italian Workshop on Chemistry and Biology of Antioxidants, 2011, Rome, 10-12 November 2011.
Fernanda Borges, Alexandra Gaspar, Tiago Silva, José Teixeira, Fernando Cagide, Sofia Benfeito, Catarina Oliveira, Joana Reis, Manuela Garrido, Jorge Garrido, Omidreza Firuzi, Luciano Saso
Striving for success in antioxidant therapy 10th Indo-Italian Workshop on Chemistry and Biology of Antioxidants, 2011, Rome, 10-12 November 2011. A. Fonseca, M. J. Matos, E. Uriarte, L. Santana and F. Forges
Coumarins as an important scaffold on neurodegenerative diseases drug discovery IJUP2011
Joana Reis, Alexandra Gaspar, Fernando Cagide, Jorge Garrido, Eugenio Uriarte , Sonja Kachler, Karl Norbert Klotz, Fernanda Borges
Benzo-#-pyrone as a privileged structure for the rational design of adenosine receptor ligands potentially useful in anticancer therapy
IJUP2011 Joana Reis, Alexandra Gaspar, Fernando Cagide, Jorge Garrido, Eugenio Uriarte, Dolores Vina, Stefano Alcaro, Francesco Ortuso, Fernanda Borges Chromone as a scaffold for the development of potent and selective MAO-B inhibitors
IJUP2011 José Teixeira, Sofia Benfeito,Pedro Soares, Alexandra Gaspar, Jorge Garrido, Fernanda Borges Lipophilic cinnamic cations: new mitochondria-targeted antioxidants for neurodegenerative disease therapy.
IJUP2011
149
2nd Iberic Meeting on Medicinal Chemistry, Porto –12-15 Junho,2011
A. Fonseca, M. J. Matos, E. Uriarte, S. Alcaro , F. Borges Synthesis and Docking Studies of Carbamates and Esters Based on Coumarin Scaffold as Multi-Target-Directed Drugs for Neurodegenerative Diseases Pedro Soares, Hugo Froufe, Rui M.V. Abreu, Isabel C.F.R. Ferreira, Fernanda Borges, Maria-João R.P. Queiroz 1-aryl-3-(4-(7-methylthieno[3,2-d]pyrimidin-4-yloxy)phenyl)ureas: synthesis and molecular modelling studies using VEGFR-2 Pedro Soares, Hugo Froufe, Rui M.V. Abreu, Isabel C.F.R. Ferreira, Fernanda Borges, Maria-João R.P. Queiroz 1-aryl-3-(4-(7-methylthieno[3,2-d]pyrimidin-4-yloxy)phenyl)ureas: synthesis and molecular modelling studies using VEGFR-2 José Teixeira, Alexandra Gaspar, Jorge Garrido, Jorge M. A. Oliveira, Michael P. Murphy, Fernanda Borges New mitochondria-targeted antioxidants based on cinnamic scaffold for neurodegenerative disease therapy Alexandra Gaspar, Joana Reis, Fernando Cagide, Tiago Silva, Maria João Matos, Eugenio Uriarte, Karl Norbert Klotz, Stefano Moro, Fernanda Borges. Chromone-based adenosine receptor ligands: a new challenge in the anticancer drug discovery scenario Sofia Benfeito, Catarina Oliveira, José Teixeira, Pedro Soares, Alexandra Gaspar; Jorge Garrido, Fernanda Borges Targeting phenolic antioxidants to mitochondria: synthesis and characterization of novel triphenylphosphonium-conjugated lipophilic cinnamic derivatives Joana Reis, Alexandra Gaspar; Fernando Cagide; Daniel Martins; Paulo Ferreira; José Dias; Nuno Milhazes; Manuela Garrido, Jorge Garrido; Eugenio Uriarte, Dolores Vina, Stefano Alcaro, Francesco Ortuso, Fernanda Borges.
Design and development of a novel chemical library, based on a privileged scaffold, suitable to speed up the drug discovery process of IMAO-B
Fernando Cagide, Alexandra Gaspar, Joana Reis, Fernanda Borges Accelerating lead optimization of MAO inhibitors throughout microwave-assisted organic synthesis
Tiago Silva, Alexandra Gaspar, Nuno Leal, Pedro Guiomar, Jorge Garrido, Fernanda Borges Development of novel lipophilic antioxidants based on ferulic acid
Maria João Matos, Dolores Viña, Saleta Vazquez-Rodriguez, Giulio Ferino, Alexandra Gaspar, Fernanda Borges, Eugenio Uriarte
150
An alternative scaffold on neurodegenerative diseases: Differently substituted coumarins as MAO-B selective and potent inhibitors
5.3 Formação Avançada concluída em 2011 (em que a RMN seja relevante) - Teses de Doutoramento: Andreia Daniela Moreira da Cruz Leite, “Design de ligandos quelantes multifuncionalizados derivados de 3,4-hidroxi-piridinonas”, Faculdade de Ciências da Universidade do Porto, Dezembro de 2011 Rui Miguel Freitas Gonçalves, “Interação entre compostos fenólicos e enzimas digestivas: relação estrutura-função”, Doutoramento em Química, Faculdade de Ciências da Universidade do Porto, Dezembro 2011.
Carlos Alberto Duarte Sousa (SFRH/BD/31526/2006), “Estudo e aplicação de reacções de cicloadição entre ciclopentadieno e oximas na síntese de análogos pirrolidínicos N-fosforilados”, defendida perante júri no Departamento de Química e Bioquímica (FCUP) em 23 de Fevereiro de 2011. Ivone Margarida Nunes Ferreira Vieira Peres. Nanoencapsulation of Active Compounds. Faculdade de Engenharia da Universidade do Porto, Novembro de 2011. - Teses de Mestrado: Tânia Alexandra Fernandes de Sousa Moniz, “Novas arquiteturas moleculares para combater processos infeciosos”, Faculdade de Ciências da Universidade do Porto, Outubro de 2011
Inês Cardoso, “Síntese de derivados do fluoróforo rodamina utilizando metodologias mais limpas e mais eficientes”, Faculdade de Ciências, Universidade do Porto, Novembro 2011.
Vasco Nuno Maia Almeida. Sintese e avaliação da actividade protectora de metabolitos do hidroxitirosol. Mestrado em Química, FCUP, iniciado em Outubro de 2010 e terminado em Novembro de 2011. (Orientador: Prof. Fátima Paiva-Martins - FCUP, Co-orientador: Prof. Alice Santos-Silva - FFUP)
Sandra Cristina das Neves Pereira da Costa. Síntese de metabolitos do 3,4-DHPEA-EDA. Mestrado em Química, FCUP, iniciado em Outubro de 2010 e terminado em Novembro de 2011. (Orientador: Prof. Fátima Paiva-Martins - FCUP, Co-orientador: Prof. José Enrique Borges - FCUP) Fábio David Gouveia Félix Raimundo, “Síntese e estudo da agregação de tensioactivos derivados de serina: rumo a novos lipossomas biocompatíveis”, Dissertação para obtenção do grau de Mestre em Química pela FCUP, 2011.
Maria João Castro Gouveia, “Desenvolvimento de novos inibidores da ITK para o combate ao vírus HIV-SIDA”, Dissertação para obtenção do grau de Mestre em Química pela FCUP, 2011.
Sandra Cristina das Neves Pereira da Costa, “Síntese de metabolitos dos polifenóis do azeite”, Dissertação para obtenção do grau de Mestre em Química pela FCUP,2011.
Liliane A. M. Junqueira, “Síntese compostos derivados de aminoácidos e tripéptidos lipofílicos potencialmente bioactivos”, Dissertação para obtenção do grau de Mestre em Química pela FCUP,2011.
151
André Manuel Ferreira Fonseca. Desenvolvimento e Estudo Computacional de Novos Inibidores da Monoaminoxidase e da Acetilcolinesterase Baseados na Estrutura da Cumarina
Pedro Henrique Gomes Soares. Síntese de Derivados de Tienopiridinas e de Tienopirimidinas como Compostos Antitumorais e/ou Antiangiogénicos
José Carlos Santos Teixeira. New mitochondria-targeted antioxidants based on cinnamic scaffold as a therapeutic solution for neurodegenerative disease.
6. Desvios às acções programadas (em relação à proposta de actividades e solicitação de financiamento) Não foi realizado o curso de formação em NMR uma vez que se optou por realizar formação para pequenos grupos de utilizadores. Esta razão deve-se ao facto de a formação dos utilizadores ser muito heterogénea e assim possibilitar uma maior rentabilização de recursos.
7. Plano de actividades para 2011
Evento ou tarefa Jan-Jun 2012 Jul-Dez 2012
Encontros Científicos
Cursos Curso de formação avançada
Seminários Um seminário mensal Um seminário mensal
Outros
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