Universidade de Lisboa - IST


Departamento de Engenharia Química
Instituto Superior Técnico, Universidade de Lisboa
Av. Rovisco Pais
1049-001 Lisboa
Tel: +351 218 419 262

NMR Equipment
Liquid State NMR
  • Bruker Avance 300
  • Bruker Avance 400
  • Bruker Avance 500
Solid State NMR
  • Bruker MSL 300 / Tecmag (Redstone console)
Unit Homepage

ULisboa – IST

Main Research Topics

José do Rosário Ascenso - Solution NMR [Refs 1-10]

Current research interests based on NMR:

Determination of the structure of organic and organometallic compounds [Refs 1-3]

Structure elucidation of natural and synthetic polymers [Refs 4-6]

Synthesis of new homooxacalixarene based cation and anion receptors [Refs 7-8]

Metabolomic NMR studies of yeast response to multiple stress conditions [Refs 9-10]

Probing the Structure of Ionic Liquids with Xe NMR.

Alexandra M. M. Antunes - Solution NMR [Refs 11-16]

Application of NMR tools to Molecular Toxicology with focus on:

Structural characterization of biomarkers of toxicity: covalent adducts formed between (geno)toxic chemical agents and bionucleophiles (eg. DNA bases and amino acids). [Refs 11-13]

Elucidation of potential bioactivation pathways of xenobiotics. [Refs 14-15]

The role of competitive binding to human serum albumin on drug- interactions by ligand-based NMR methodologies. [Ref 16]

Teresa G. Nunes – Solid-State NMR and Stray-Field MRI [Refs 17-41]

Dental restorative materials [Refs 17-31] and other materials [Refs 32-36 ]

Solid state NMR is being used to study polymers, organometallic compounds and pharmaceutical drugs, for example, in order to obtain structural and mobility data. Stray-field MRI studies have been performed on dental materials in order to obtain, namely, extent of polymerization, reaction (polymerization or acid-base) contraction and effect of atmospheric oxygen, which are invaluable information for clinicians and manufacturers, the technique being capable of discriminating local changes at a spatial resolution of tens of micron.

Heterogeneous Catalysis (collaboration with Faculdade de Ciências, Universidade de Lisboa and Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa ) [Refs 37-41]

Selected Publications
  1. S. Namorado, J. Cui, C. G. de Azevedo, M. A. Lemos, M. T. Duarte, J. R. Ascenso, A. R. Dias, A. M. Martins. Pentabenzylcyclopentadienyl)molybdenum Complexes: Synthesis, Structures and Redox Properties. Eur. J. Inorg. Chem. 2007, 1103–1113.

  2. Antunes MA, Namorado S, Azevedo CG, Lemos MA, Duarte MT, Ascenso JR, Martins AM, Pentabenzylcyclopentadienyl molybdenum and tungsten hydrides: Syntheses, structures and electrochemistry of [MHCpBz(CO)(2)(L)] (L = CO, PMe3, PPh3), Journal of Organometallic Chemistry, 2010, 695, 1328-1336.

  3. Antunes, M. A.; Alves, L. G.; Namorado, S.; Ascenso, J. R.; Veiros, L. F.; Martins, A. M. Hydride Abstraction from [MCpBz(CO)3H] (M = Mo, W; CpBz =C5(CH2Ph)5): New Cationic Complexes Stabilized by η5:η2-C5H4:C6H5 Bonding of the Pentabenzylcyclopentadienyl Ligand, Organometallics, 2012, 31, 4387−4396.

  4. Matos I, Fernandes A, Catalão R, Rego AMB, Ascenso JR, Fonseca IF, Lemos F, Marques MM, Heterogeneization of alpha diimines nickel catalysts for the polymerization of ethylene and methylmethacrylate, e-Polymers, 2010, 147, 1-18.

  5. Lidong Li, Gomes CSB, Lopes PS, Gomes PT, Diogo HP, Ascenso JR, Polymerization of styrene with tetradentate chelated a-diimine nickel(II) complexes/MAO catalyst systems: Catalytic behavior and microstructure of polystyrene, European Polymer Journal, 2011, 47, 1636–1645.

  6. Matos, I.; Ascenso, J.R.; Lemos, M; F., Fan, Z.; Yuan, J.; Farinha, J.P.S.; Lemos, F.; Gonçalves da Silva, A.M.P.S.; Marques, M.M. Structure, morphology and interfacial behavior of ethylene/methacrylate copolymers, J Polym Res 2013, 20:90.

  7. Marcos, P. M.; Ascenso, J. R.; Segurado, M. A. P.; Cragg, P. J.; Michel, S.; Hubscher-Bruder, V.; Arnaud-Neu, F. Lanthanide cation binding properties of homooxacalixarene diethylamide derivatives, Supramolecular Chemistry, 2011, 23, 93-101.

  8. Farina, F.; Teixeira, F. A.; Marcos, P. M.; Ascenso, J. R.; Neri, P. Alkylammonium Cation Complexation AI91- Gaeta, C.; Talotta, C.; into the Narrow Cavity of Dihomooxacalix[4]arene Macrocycle, J. Org. Chem. 2012, 77, 10285−10293.

  9. Lourenço, A. B.; Ascenso, J. R.; Sá-Correia, I. Metabolic insights into the yeast response to propionic acid based on high resolution 1H NMR spectroscopy, Metabolomics, 2011, 7, 457-468.

  10. Lourenço, A. B.; Roque, C. F.; Teixeira, M. C.; Ascenso, J. R.; Sá-Correia, I. Quantitative 1H-NMR-metabolomics reveals extensive metabolic reprogramming and the effect of theb aquaglyceroporin FPS1 in ethanol-stressed yeast cells, PLOS ONE 2013, 8, e55439.

  11. C. Charneira, A. L. A. Godinho, M. C. Oliveira, S. A. Pereira, E. C. Monteiro, M. M. Marques, A. M. M. Antunes. Reactive Aldehyde Metabolites from the Anti-HIV Drug Abacavir: Amino Acid Adducts as Possible Factors in Abacavir Toxicity, Chem. Res. Toxicol., 2011, 24, 2129-2141.

  12. A. M. M. Antunes, A. L. A. Godinho, I. L. Martins, G. C. Justino, F. A. Beland, M. M. Marques. Amino acid adduct formation by the nevirapine metabolite, 12-hydroxynevirapine – a possible factor in nevirapine toxicity, Chem. Res. Toxicol., 2010, 23, 888–899.

  13. A. M. M. Antunes, M. P. Duarte, P. P. Santos, G. Gamboa da Costa, T. M. Heinz, F. A. Beland, M. M. Marques. Synthesis and Characterization of DNA Adducts from the HIV Reverse Transcriptase Inhibitor Nevirapine, Chem. Res.Toxicol., 2008, 21, 1443–1456.

  14. R. Wanke, D. A. Novais, S. G. Harjivan, M. M. Marques, A. M. M. Antunes, Biomimetic oxidation of aromatic xenobiotics: synthesis of the phenolic metabolites from the anti-HIV drug Efavirenz, Org Biomol Chem,2012, 10, 4554-4561.

  15. M. M. Antunes, D. A. Novais, J. L. Ferreira da Silva, P. P. Santos, M. C. Oliveira, F. A. Beland, M. M. Marques. Synthesis and oxidation of 2-hydroxynevirapine, a metabolite of the HIV reverse transcriptase inhibitor nevirapine, Org.Biomol.Chem., 2011, 9, 7822-7835.

  16. R. Wanke, S. G. Harjivan, M. M. Marques, A. M. M. Antunes, Binding of the anti-HIV drug efavirenz to human serum albumin: a 19F-NMR study, 244th ACS National Meeting & Exposition, Philadelphia, Pennsylvania, USA, 2012. Abstracts of Papers of the American Chemical Society (http://abstracts.acs.org/chem/244nm/program/view.php?pub_num=166&par=MEDI).

  17. T. G. Nunes, R. Pires, J. Perdigão, A. Amorim, M. Polido. The study of a commercial dental resin by 1H stray-field magnetic resonance imaging. Polymer, 2001, 42, 8051.

  18. S. G. Pereira, T. G. Nunes, S. Kalachandra.Low Viscosity Dimethacrylate Comonomer Compositions [Bis-GMA and CH3Bis-GMA] for Novel dental Composites; Analysis of the Network by Stray-Field MRI, Solid-State NMR and DSC&FTIR, Biomaterials, 2002, 23, 3799.

  19. T. G. Nunes, G. Guillot, S. G. Pereira, R. Pires. 1H Stray-Field Long Spin-Echo Trains and MRI: Novel Studies on the Photopolymerisation of a Commercial Dental Resin. J. Phys. D: Appl. Phys., 2002, 35, 1251.

  20. R. Pires, T. G. Nunes, I. Abrahams, Geoffrey E. Hawkes, C. Morais, Christian Fernandez.Stray-Field Imaging and Multinuclear Magnetic Resonance Spectroscopy Studies on the Setting of a Commercial Glass-Ionomer Cement, J. Materials Science: Materials in Medicine, 2004, 15, 201.

  21. G. Guillot, T.G. Nunes, J. P. Ruaud, M. Polido. Aspects of the Photopolymerization of a Commercial Dental resin Studied by 1H Magnetic Resonance Imaging. Polymer, 2004, 45, 5525.

  22. S.G . Pereira, N. Reis, T.G. Nunes. Spatially resolved studies on the photopolymerization of dimethacrylate monomers. Polymer, 2005, 46, 8034.

  23. T. G. Nunes, L. Ceballos, R. Osorio, M. Toledano. Spatially-Resolved Photopolymerization Kinetics and Oxygen Inhibition in Dental Adhesives, Biomaterials, 2005, 26, 1809-1817.

  24. T. G. Nunes, F. C. P. Garcia, R. Osorio, R. Carvalho, M. Toledano. Photopolymerization Efficacy of Simplified Adhesive Systems studied by NMR and MRI techniques. Dental Materials, 2006, 22, 963.

  25. T. G. Nunes, M. Polido, A. Amorim, S. Nunes, M. Toledano. Chemical Interaction of a Self-Etching Adhesive with Radicular and Coronal Human Dentin. J. Materials Science: Materials in Medicine, 2007,18, 2093-2099.

  26. R. A. Pires, C. Fernandez, T. G. Nunes. Structural and spatially-resolved studies on the hardening of a commercial resin-modified glass-ionomer cement, J. Materials Science: Materials in Medicine, 2007, 18, 787.

  27. T. G. Nunes, S.G. Pereira, S. Kalachandra. Effect of Treated Filler Loading on Dental Resin Photopolymerization Inhibition and Contraction. J. Materials Science: Materials in Medicine, 2008, 19, 1881.

  28. T. G. Nunes, M. C. Erhardt, M. Toledano, R. Osorio. Influence of a self-curing activator in the spatially-resolved photopolymerization of a one-step self-etching adhesive,Journal of Dentistry, 2009, 37, 616.

  29. R. A. Pires, I. Abrahams, T. G. Nunes, G. E. Hawkes. The role of alumina in borosilicate glasses for use in glass-ionomer cements. Journal of Materials Chemistry, 2009, 19, 3652-3660.

  30. T. G. Nunes, M. C. Erhardt, M. Toledano, R. Osorio, R. Influence of a self-curing activator in the spatially-resolved photopolymerization of a one-step self-etching adhesive. Journal of Dentistry, 2009, 37, 616-621.

  31. S. G. Pereira, R. Fulgêncio, T. G. Nunes, M. Toledano, R. Osorio, R. M. Carvalho. Effect of curing protocol on the polymerization of dual-cured resin cements. Dental Materials, 2010, 26, 710.

  32. R. Pires, I. Abrahams, T. G. Nunes, G. E. Hawkes. Non-Random Cation Distribution in Sodium-Strontium-Phosphate Glasses. J. of Non-Crystalline Materials, 2004, 337, 1-8.

  33. T. G. Nunes, E. W. Randall, G. Guillot. The First Proton NMR Imaging of Ice: Stray-Field Imaging and Relaxation Studies, Solid State Nuclear Magnetic Resonance, 2007, 32, 59.

  34. N. Dencheva, Z. Denchev, M. J. Oliveira, T. G. Nunes, S. S. Funari. Relationship between Crystalline Structure and Mechanical Behavior in Isotropic and Oriented Polyamide 12. Journal of Applied Polymer Science, 2008, 109, 288-302.

  35. S. B. Gomes, D. Suresh, P. T. G. Gomes, L. F. Veiros, M. T. Duarte, T. G. Nunes, TG, M. C. Oliveira. Sodium complexes containing 2-iminopyrrolyl ligands: the influence of steric hindrance in the formation of coordination polymers. Dalton Trans, 2010, 39, 736–748.

  36. T. G. Nunes, H. P. Diogo; S.S. Pinto, J. J. Moura Ramos. Molecular Dynamics of Amorphous Gentiobiose Studied by Solid-State NMR. J. Phys. Chem.B, 2010, 114, 15976-15984.

  37. P. Vidinha, S. Barreiros, J. M. S. Cabral, T. G. Nunes, A. Fidalgo, L. M. Ilharco, Enhanced Biocatalytic Activity of ORMOSIL Encapsulated Cutinase: The Matrix Structural Perspective, J. Phys. ChemC, 2008, 112, 2008-2015.

  38. I. Fernandes, N. U. Silva, P. D. Vaz, T. G. Nunes, C. D. Nunes. Bio-inspired Mo(II) complexes as active catalysts in homogeneous and heterogeneous olefin epoxidation. Appl. Cat. A – Gen. 2010, 384, 84-93.

  39. N. U. Silva, C. I. Fernandes, T. G. Nunes, M. S. Saraiva, C. D. Nunes, P. D. Vaz, PD, Performance evaluation of mesoporous host materials in olefin epoxidation using Mo(II) and Mo(VI) active species – inorganic vs. hybrid matrix. Applied Catalysis A: General, 2001, 408, 105-116.

  40. N. U. Silva, T. G. Nunes, M. S. Saraiva,M.Shalamzari, P. D. Vaz, O. C.Monteiro,, C. D. Nunes. Photocatalytic degradation of rhodamine B using Mo heterogeneous catalysts under aerobic conditions. Applied Catalysis B: Environmental, 2012, 113-114, 180-191.

  41. M. S. S. Saraiva, C. D. Nunes, T. G. Nunes, M. J. Calhorda. Mo(II) complexes of 8-aminoquinoline and their immobilization in MCM-41. Applied Catalysis A: General (in press)