Center for Neuroscience and Cell Biology
Faculty of Medicine, University of Coimbra
Tel: +351 239 820 190
Fax: +351 239 822 776
(liquid and HR-MAS NMR spectrometry)
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Carlos F.G.C. Geraldes - Inorganic Complexes for Medical Diagnostics: MRI and Molecular Imaging [refs 1-10]
Studies focus on inorganic compounds for medical diagnostic imaging, in particular contrast agents for magnetic resonance imaging (MRI CAs). They include design, development and physico-chemical evaluation of metal based nanoparticles and small metal chelate agents for multimodal targeted medical imaging agents, followed by in vitro and animal model evaluation using MRI and nuclear imaging techniques.
Design, development and physico-chemical characterization of paramagnetic chelates through relaxometric (T1, T2, T2*) and chemical shift studies using multinuclear NMR (17O, 1H, 2H), NMRD techniques, EPR and simultaneous fitting of paramagnetic data.
Relaxometric (T1, T2, T2*) characterization of paramagnetic nanoparticulate systems.
In vitro (cells) and in vivo (small animals) MRI characterization of paramagnetic nanoparticulate systems.
Paramagnetic shifts (1H, 13C, 31P...) study to obtain solution structure and dynamics of lanthanide chelates and, together with residual dipolar couplings (RDCs), of covalently tagged oriented proteins.
Interaction study of ligands and complexes with biomacromolecules using STD technique.
Structural characterization of small molecules using 1D and 2D NMR techniques.
M. Margarida C.A. Castro - Inorganic Biochemistry: Inorganic Complexes and Species for Therapy and Environment [Refs 11-19]
We are interested on the design and study of inorganic compounds as drugs for medical therapy (lithium Li+ and bipolar disorder; vanadium V(IV/V) complexes as oral insulin-mimetic agents). We focus on their mechanisms of action using cell and animal models.
Characterization of the structure, speciation and cell interactions of complexes in solution and cell suspensions using multinuclear NMR and EPR.
Study of the effects of inorganic compounds on cell transport metabolism using metal (eg. 7Li, 23Na) through 31P and 13C NMR (with isotopomer analysis of 13C-enriched metabolites).
M. Luísa Ramos - Polymers and their complexes [Refs 20-28]
Synthesis and structural studies of metal complexes with biologically relevant molecules using NMR spectroscopy, DFT computational methods and luminescence studies, with reference to their potential ability to chelate metals in vivo. Related studies on the interaction of tri- and divalent metal ions, such as aluminium(III), gallium(III), zinc(II) and copper(II) with hydroxyaromatic ligands, such as 8-hydroxyquinoline-5-sulfonate and with anionic synthetic polyelectrolytes using multinuclear NMR coupled with various other techniques, with the objective of the development of luminescent sensors for the analytical determination of these metals at low concentrations. Extension of these studies to biopolymers, such as nucleic acids, and other small molecules of biological interest, and the relevance to their potential ability to chelate hazardous metals in vivo. Study on the structure and interaction of conjugated polymers and polyelectrolytes, with particular reference to their applications in biosensors of nucleic acids, sugars, proteins and in optoelectronic devices. Analysis of the electronic structure and aggregation behaviour of conjugated polymers, studied as models for DNA, using nuclear magnetic resonance spectroscopy (NMR), computational methods based on density functional theory (DFT), small angle neutron scattering (SANS), UV/vis absorption and fluorescence and other photophysical techniques.
NMR characterization of metal complexes in solution, combined with DFT calculations.
NMR characterization of polymers in solution, combined with DFT calculations.
John G. Jones - NMR studies of metabolic fluxes [Refs 29-38]
We study intermediary metabolism using 2H, 13C and 15N stable isotope tracers. Glucose, protein and lipid homeostasis are studied in human subjects, in animal models of human diseases, and in isolated perfused animal organs.
Analysis of metabolic flux.
13C NMR isotopomer analysis of 13C-enriched metabolites from perfused organs, plasma glucose and urinary metabolites by direct and indirect detection methods.
2H NMR analysis of metabolite positional, 2H-enrichments from 2H2O in perfused organs, plasma glucose and urinary metabolites.
M.F. Ferreira, A.F. Martins, J.A. Martins, P.M. Ferreira, E. Tóth and C.F.G.C. Geraldes, "Gd(DO3A-N-a-aminopropionate): a versatile and easily available synthon with optimized water exchange for the synthesis of high relaxivity, targeted MRI contrast agents", Chem. Commun., 6475-6477 (2009).
M. Polášek, P. Hermann, J.A. Peters, C.F.G.C. Geraldes and I. Lukeš, "PAMAM dendrimers conjugated with an uncharged gadolinium(III) chelate with a fast water exchange: the influence of chelate charge on rotational dynamics", Bioconj. Chem., 20, 2142–2153 (2009).
G.A. Pereira, J.A. Peters, F.A. Paz, J. Rocha and C.F.G.C. Geraldes, "Evaluation of [Ln(H2cmp)(H2O)] Metal Organic Framework Materials for Potential Application as MRI Contrast Agents", Inorganic Chemistry, 49, 2969–2974 (2010).
M.P.C. Campello, S. Lacerda, I.C. Santos, G.A. Pereira, C.F.G.C. Geraldes, J. Kotek, P. Hermann, J. Vaněk, P. Lubal, V. Kubíček, E. Tóth and I. Santos, "Lanthanide(III) Complexes of 4,10-Bis(phosphonomethyl)-1,4,7,10-tetraazacyclo-dodecane-1,7-diacetic acid (trans-H6do2a2p) in Solution and in the Solid State: Structural Studies Along the Series", Chem. Eur. J., 28, 8446-8465 (2010).
S.L.C. Pinho, G.A. Pereira, P. Voisin, J. Kassem, V. Bouchaud, L. Etienne, J.A. Peters, L. Carlos, S. Mornet, C.F.G.C. Geraldes, J. Rocha and M.H. Delville, "Fine tuning of the relaxometry of g-Fe2O3@SiO2 nanoparticles by tweaking the thickness of the silica coating", ACS Nano, 4, 5339–5349 (2010).
S. Figueiredo, J.N. Moreira, C.F.G.C. Geraldes, S. Aime and E. Terreno, "Supramolecular Protamine/Gd-loaded Liposomes Adducts as Relaxometric Protease Responsive Probes", Bioorg. Medicinal Chem., 19, 1131-1135 (2011).
J.M.C. Teixeira, D.M. Dias, F.J. Cañada, J.A. Martins, J.P. André, J. Jiménez-Barbero and C.F.G.C. Geraldes, "The Interaction of La3+ Complexes of DOTA/DTPA-Glycoconjugates with the RCA120 lectin: A Saturation Transfer Difference (STD) NMR Spectroscopic Study", J. Biol. Inorg. Chem., 16, 725-734 (2011).
J.P. Monteiro, A.F. Martins, M. Lúcio, S. Reis, C.F.G.C Geraldes, P.J. Oliveira and A.S. Jurado, "Interaction of carbonylcyanide p-trifluoromethoxyphenylhydrazone (FCCP) with lipid membrane systems: a biophysical approach with relevance to mitochondrial uncoupling", J. Bioenerg. Biomembranes, 43, 287–298 (2011).
D.M. Dias, J.M.C. Teixeira, I. Kuprov, E.J. New, D. Parker and C.F.G.C. Geraldes, "Enantioselective binding of a lanthanide(III) complex to human serum albumin studied by 1H STD NMR techniques", Org. Biomol. Chem., 9, 5047-5050 (2011).
J.P. Monteiro, A.F. Martins, M. Lúcio, S. Reis, T.J. Pinheiro, C.F.G.C Geraldes, P.J. Oliveira and A.S. Jurado, "Nimesulide interaction with membrane model systems: are membrane physical effects involved in nimesulide mitochondrial activity?", Toxicology in Vitro, 25, 1215-1223 (2011).
L.P. Montezinho, M.M.C.A. Castro, C.B. Duarte, S. Penschuck, C.F.G.C. Geraldes and A. Mørk, ", The interaction between dopamine D2-like and beta-adrenergic receptors in the prefrontal cortex is altered by mood stabilizing agents", J. Neurochem., 96, 1336-1348 (2006).
D.M. De Freitas, M.M.C.A. Castro and C.F.G.C. Geraldes, "Is Competition Between Li+ and Mg2+ the Underlying Theme in the Proposed Mechanisms for the Pharmacological Action of Lithium Salts in Bipolar Disorder?", Acc. Chem. Res., 39, 283-291 (2006).
L.P. Montezinho, A. Mork, C.B. Duarte, S.Penschuck, C.F.G.C.Geraldes and M.M.C.A. Castro, "Effect of mood stabilizers on dopamine D2-like receptors-mediated inhibition of adenylate cyclase", Bipolar Disorders, 9, 290-297, (2007).
T.C. Delgado, D. Pinheiro, M. Caldeira, M.M.C.A. Castro, C.F.G.C. Geraldes, P. López-Larrubia, S. Cerdán and J. G. Jones, "Sources of hepatic triglyceride accumulation during high-fat feeding in the healthyrat", NMR in Biomedicine, 22, 310-317, (2009).
C.P. Fonseca, A. Sierra, C.F.G.C. Geraldes, M.M.C.A. Castro and S.Cerdán, "Mechanisms underlying Li+ effects in glutamatergic and GABAergic neurotransmissions in the adult rat brain and in primary cultures of neural cells as revealed by 13C NMR", J. Neurosci. Res., 87, 1046-1055, (2009).
H. Faneca, V.A. Figueiredo, I. Tomaz, G. Gonçalves, F. Avecilla, M.C.P. de Lima, C.F.G.C. Geraldes, J.C. Pessoa and M.M.C.A. Castro, "Vanadium compounds as therapeutic agents: some chemical and biochemical studies", J. Inorg. Biochem., 103, 601-608, (2009).
T.B. Rodrigues, C.P. Fonseca, M.M.C.A. Castro, S. Cerdán and C.F.G.C. Geraldes, "13C NMR tracers in neurochemistry: implications for molecular imaging", Quart. J. Nucl. Med. Mol. Imaging, 53, 631-645, (2009).
M. Passadouro, A.M. Metelo, A.S. Melão, J.R. Pedro, H. Faneca, E. Carvalho, M.M.C.A. Castro, "Study of the antidiabetic capacity of the VO(dmpp)2 complex", J. Inorg. Biochem., 104, 987-992, (2010).
A.M. Metelo, R. Pérez-Carro, M.M.C.A. Castro and P. López-Larrubia, "Pharmacological effects of VO(dmpp)2 as assessed by in vivo Magnetic Resonance Imaging and Spectroscopy", Magn. Reson. Med., (submitted, July 2011).
R.F.P. Pereira, A.J.M. Valente, H.D. Burrows, M.L. Ramos, A.C.F. Ribeiro and V.M.M. Lobo, "Flocculation and micellization of sodium dodecyl sulfate solutions in the presence of aluminium nitrate: effect of concentration and temperature", Acta Chimica Slovenica, 56, 45–52 (2009).
L.L.G. Justino, M.L. Ramos, P.E. Abreu, R.A. Carvalho, A.J.F.N. Sobral, U. Scherf and H.D. Burrows, "Conformational Studies of Poly(9,9-dialkylfluorene)s in solution using NMR Spectroscopy and Density Functional Theory Calculations", J. Phys.Chem.B, 113, 11808–11821 (2009).
M.L. Ramos, L.L.G. Justino, V.M.S. Gil and H.D. Burrows, "NMR and DFT studies of the complexation of W(VI) and Mo(VI) with 3-phospho-D-glyceric and 2-phospho-D-glyceric acids", Dalton Trans., 9616–9624, (2009).
L.L.G. Justino, M.L. Ramos, M. Kaupp, H.D. Burrows, C. Fiolhais and V.M.S. Gil, "Density functional theory study of the oxoperoxo vanadium(V) complexes of glycolic acid. Structural correlations with NMR chemical shifts", Dalton Trans., 9735-9745, (2009).
H.D. Burrows, M. J. Tapia, S.M. Fonseca, A.J.M. Valente, V.M.M. Lobo, L.L.G. Justino, S. Qiu, S. Pradhan, U. Scherf, N. Chattopadhyay, M. Knaapila and V.M. Garamus, "Aqueous Solution Behaviour of Anionic Fluorene-co-thiophene Based Conjugated Polyelectrolytes", ACS Applied Materials & Interfaces, 1, 864-874, (2009).
H.D. Burrows, T.O. Chimamkpam, T. Encarnação, S.M. Fonseca, R.F.P. Pereira, M.L. Ramos and A.J.M. Valente, "Trivalent Metal Ion Binding to Surfactants and Polyelectrolytes – A Review", J. of Surf. Sc. and Technolog., 26, 1-16 (2010).
L.L.G. Justino, M.L. Ramos, M. Knaapila, A.T. Marques, C.J. Kudla, U. Scherf, L. Almásy, R. Schweins, .D. Burrowsand A.P. Monkman, "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", Macromolecules, 44, 334-343 (2011).
M.L. Ramos, L.L.G. Justino and H.D. Burrows, "Structural considerations and reactivity of peroxocomplexes of V(V), Mo(VI) and W(VI)", Dalton Trans., 40,4374-4383, (2011).
M.L. Ramos, L.L.G. Justino, A. Branco, C.M.G. Duarte, P.E. Abreu, S.M. Fonseca, H.D. Burrows, “NMR, DFT and Luminescence Studies of the Complexation of Zn(II) with 8-Hydroxyquinoline-5-Sulfonate”, Dalton Trans. (2011, in press).
J.G. Jones, P. Garcia, C. Barosa, T.C. Delgado and L. Diogo, "Hepatic anaplerotic outflow fluxes are redirected from gluconeogenesis to lactate synthesis in patients with Type 1a Glycogen Storage Disease", Metabolic Engineering, 11, 155-162, (2009).
T.C. Delgado, D. Pinheiro, M.M. Caldeira, M.M.C.A. Castro, C.F.G.C. Geraldes, P. Lopez-Larrubia, S. Cérdan and J.G. Jones, "Mechanisms of hepatic triglyceride accumulation during high-fat feeding in the healthy rat", NMR in Biomedicine, 22, 310-317, (2009).
T.C. Delgado, C. Silva, I. Fernandes, M.M. Caldeira, M. Bastos, C. Baptista, M. Carvalheiro, C.F.G.C Geraldes and J.G. Jones, "Sources of hepatic glycogen synthesis during an oral glucose tolerance test: effect of transaldolase exchange on flux estimates", Magn. Res. Med., 62, 1120-1128, (2009).
P.N. Nunes and J.G. Jones, "Quantifying endogenous glucose production and contributing source fluxes from a single 2H NMR Spectrum", Magn. Res. Med., 62, 802-807, (2009).
A.F. Soares, F.J. Veiga, R.A. Carvalho and J.G. Jones, "Effects of galactose on direct and indirect pathway estimates of hepatic glycogen synthesis", Metabolic Engineering, 12, 552-560, (2010).
C. Barosa, M. Almeida, M.M. Caldeira, F. Gomes and J.G. Jones, "Contribution of proteolytic and metabolic sources to hepatic glutamine by 2H NMR analysis of urinary phenylacetylglutamine 2H enrichment from 2H2O", Metabolic Engineering, 12, 53-61, (2010).
R. Basu, C. Barosa, A. Basu, V. Pattan, A. Saad, J.G. Jones and R. Rizza, "Transaldolase exchange and its effects on measurements of gluconeogenesis in humans", Am. J. Physiol., 300, 296-303, (2011).
M. Kacerovsky, J.G. Jones, A.I. Schmid, C. Barosa, A. Lettner, G. Kacerovsky-Bielesz, J. Szendroedi, M. Chmelik, P. Nowotny, V. Chandramouli, M. Wolzt and M. Roden, "Postprandial and fasting hepatic glucose fluxes in longstanding type 1 diabetes", Diabetes, 60,1752-1758, (2011).
I. Viegas, V.M. Mendes, S. Leston, I. Jarak, R.A. Carvalho, M.A. Pardal, B. Manadas and J.G. Jones, "Analysis of glucose metabolism in farmed european sea bass (Dicentrarchus labrax L.) using deuterated water", Comp. Biochem & Physiol. A. (in press 2011).
C. Barosa, C. Silva, A. Fagulha, L. Barros, M.M. Caldeira, M. Carvalheiro and J.G. Jones, "Sources of hepatic glycogen synthesis following a milk-containing breakfast meal in healthy subjects", Met. Clin & Exp. (in press 2011).