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Universidade de Lisboa – IST

 

CQE + CEFEMA
Instituto Superior Técnico, Universidade de Lisboa
Av. Rovisco Pais
1049-001 Lisboa
Portugal
 Tel. +351 218 419 262
NMR Equipment

Liquid State NMR

  • Bruker Avance II+ 300
  • Bruker Avance II+ 400
  • Bruker Avance II+ 500

 

Solid State NMR

  • Bruker MSL 300 / Tecmag (Redstone console)
  • Bruker Avance II 300

Fast Field Cycling (in house developed)
Unit Homepage

ULisboa – IST

Booking | Scheduling

 

 

Main Research Topics

 

José do Rosário Ascenso

Determination of the structure of organic and organometallic compounds[2]

Structure elucidation of natural and synthetic polymers[3;4]

Synthesis of homooxacalixarene based fluorescent receptors for anion and ion pairs[5;6]

NMR relaxation and diffusion studies of structured liquids[7;8]

 

Maria João Ferreira

Solution NMR of small molecules[1;9]

Organometallic/coordination chemistry[10-12]

Homogeneous and heterogeneous catalysis[10;11]

Characterization of polymers and materials by Solid-State NMR[10-17]

Study of pharmaceutical formulations[18;19]

 

João Figueirinhas

Orientational order and molecular dynamics studies by proton and deuterium NMR spectroscopy and relaxometry in the twist bend nematic phase NTB[20]

Orientational order and molecular dynamics studies by proton and deuterium NMR spectroscopy and relaxometry of hydration water in hydrated hybrid cellulose acetate–silica asymmetric membranes.[21;22]

 

Pedro Sebastião

NMR relaxation and diffusometry

-Liquid crystalline phases[22-30]: blue phases, nematic phases: N, N*, Ntb; smectic phases: A, Ad, A2, C, B, chiral phases C* (e.g. ferroelectric, anti-ferroelectric), TGBA*, and TGBC

-ionic liquids, magnetic ionic liquids[31-35]

-membranes[21;31;36]

-food products[37-40]

-nano composite systems[36;41-43]

 

NMR Relaxometry technology and software development

-Bench-top Fast Field Cycling NMR relaxometry[44]

-Model fitting software for NMR Relaxometry data analysis[21-45]

 

Carlos Cruz

Orientational order and molecular dynamics studies of liquid crystals and dendrimers by proton and deuterium NMR spectroscopy and relaxometry[20;22;22;26;29;34;45]

Selected Publications

  1. Silva, A. Zambre, M. P. C. Campello, L. Gano, I. Santos, A. M. Ferraria, M. J. Ferreira, A. Singh, A. Upendran, A. Paulo, Interrogating the Role of Receptor-Mediated Mechanisms: Biological Fate of Peptide-functionalized Radiolabeled Gold Nanoparticles in Tumor Mice, Bioconjugate Chem. 2016, 27 1153.
  2. Maria, N. A. G. Bandeira, J. Marçalo, I. C. Santos, A. S. D. Ferreira, J. R. Ascenso, Experimental and Computational Study of a Tetraazamacrocycle Bis(aryloxide) Uranyl Complex and of the Analogues {E=U=NR}2+ (E = O and NR), Inorganic Chemistry 2021,
  3. S. G. Valdés, C. S. B. Gomes, P. T. Gomes, J. R. Ascenso, H. P. Diogo, L. M. Gonçalves, R. Galhano dos Santos, H. M. Ribeiro, J. C. Bordado, Synthesis and Characterization of Isosorbide-Based Polyurethanes Exhibiting Low Cytotoxicity Towards HaCaT Human Skin Cells, Polymers 2018, 10 1170.
  4. F. C. Cruz, P. M. M. Machado, C. S. B. Gomes, J. R. Ascenso, M. A. Lemos, J. C. Bordado, P. T. Gomes, Bis(formylpyrrolyl) cobalt complexes as mediators in the reversible-deactivation radical polymerization of styrene and methyl methacrylate, New Journal of Chemistry 2018, 42 5900.
  5. A. Teixeira, P. M. Marcos, J. R. Ascenso, G. Brancatelli, N. Hickey, S. Geremia, Selective Binding of Spherical and Linear Anions by Tetraphenyl(thio)urea-Based Dihomooxacalix[4]arene Receptors, J.Org.Chem. 2017, 82 11383.
  6. Miranda, P. M. Marcos, J. R. Ascenso, M. N. Berberan-Santos, R. Schurhammer, N. Hickey, S. Geremia, Dihomooxacalix[4]arene-Based Fluorescent Receptors for Anion and Organic Ion Pair Recognition, Molecules 2020, 25 4708.
  7. R. Ascenso, G. Rubio, J. C. F. Diogo, H. M. N. T. Avelino, F. J. P. Caetano, J. M. N. A. Fareleira, Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (29-339)K by a PGSE-NMR spin-echo technique, Fluid Phase Equilibria 2016, 410 37.
  8. F. G. Martins, L. A. M. Pereira, G. M. C. Silva, J. R. Ascenso, P. Morgado, J. P. P. Ramalho, E. J. M. Filipe, Fluorinated surfactants in solution: Diffusion coefficients of fluorinated alcohols in water, Fluid Phase Equilibria 2016, 407 322.
  9. F. Carvalho, M. J. Ferreira, A. S. O. Knittel, M. d. C. Oliveira, J. C. Pessoa, R. Herrmann, G. Wagner, Strecker degradation of amino acids promoted by a camphor-derived sulfonamide, Beilstein J.Org.Chem. 2016, 12 732.
  10. Diaz-Couce, J. Marreiros, M. J. Ferreira, P. D. Vaza, C. D. Nunes, M. J. Calhorda, New heterogeneous catalysts with Mo(II) intercalated in layered double hydroxides, Inorganica Chimica Acta 2016, 455 483.
  11. Marreiros, M. Diaz-Couce, M. J. Ferreira, P. D. Vaz, M. J. Calhorda, C. D. Nunes, Synthesis and catalytic activity of Mo(II) complexes of alpha-diimines intercalated in layered double hydroxides, Inorganica Chimica Acta 2019,
  12. Calabrese, M. L. T. Liveri, M. J. Ferreira, A. Bento, P. D. Vaz, M. J. Calhorda, C. D. Nunes, Porous materials as delivery and protective agents for Vitamin A, RSC Advances 2016, 6 66945.
  13. A. Lourenço, M. J. Ferreira, M. Sardo, L. s. Mafra, J. R. Gomes, P. Ferreira, Microwave-assisted N, N-dialkylation of amine-functionalized periodic mesoporous phenylene-silica: An easy and fast way to design materials, Microporous and Mesoporous Materials 2017, 249 10.
  14. Sena da Fonseca, S. Piçarra, A. P. Ferreira Pinto, M. J. Ferreira, M. F. Montemor, TEOS-based consolidants for carbonate stones: the role of N1-(3-trimethoxysilylpropyl)diethylenetriamine, New Journal of Chemistry 2017, 41 2458.
  15. Sena da Fonseca, M. J. Ferreira, M. G. Taryba, S. Piçarra, A. P. F. Pinto, M. d. F. Montemor, Alkoxysilane-based sols for consolidation of carbonate stones: Impact of the carbonate medium in the sol-gel processes, Journal of Cultural Heritage 2019, 37 63.
  16. Vale, M. V. Loureiro, M. J. Ferreira, A. C. Marques, Silica- based microspheres with interconnected macroporosity by phase separation, Journal of Sol-Gel Science and Technology 2020,
  17. L. Gouveia, V. Oliveira, A. M. Ferraria, A. M. B. Do Rego, M. J. Ferreira, L. C. Tomé, A. Almeida, I. M. Marrucho, Processing of poly(ionic liquid)-ionic liquid membranes using femtosecond (fs) laser radiation: Effect on CO2 separation performance, Journal of Membrane Science 2021, 642 119903.
  18. D. Costa, J. Priotti, S. Orlandi, D. Leonardi, M. C. Lamas, T. G. Nunes, H. P. Diogo, C. J. Salomon, M. J. Ferreira, Unexpected solvent impact in the crystallinity of praziquantel/poly(vinylpyrrolidone) formulations. A solubility, DSC and solid-state NMR study, International journal of pharmaceutics 2016, 511 983.
  19. Priotti, A. García, D. Leonardi, M. J. Ferreira, M. C. Lamas, T. G. Nunes, Succinyl-b-cyclodextrin: Influence of the substitution degree on albendazole inclusion complexes probed by NMR, Materials Science and Engineering: C 2018, 92 694.
  20. Carvalho, C. Cruz, J. Figueirinhas, M. Tamba, A. Kohlmeier, G. Mehl, Proton and deuterium NMR study of the CBC9CB dimer system, J.Phys.Chem.B 2019, 123 1442.
  21. J. Beira, M. Silva, M. Condesso, P. Cosme, P. L. Almeida, M. C. Corvo, P. J. Sebastião, J. Figueirinhas, M. N. De Pinho, Molecular order and dynamics of water in hybrid cellulose acetate–silica asymmetric membranes, null 2019, 117 975.
  22. Aluculesei, H. Cachitas, J. Carvalho, F. V. Chavez, J. L. Figueirinhas, P. J. Sebastião, C. Cruz, M. G. Tamba, A. Kohlmeier, G. H. Mehl, 1H NMR study of molecular order and dynamics in the liquid crystal CB-C9-CB, Phys.Chem.Chem.Phys. 2019, 4523.
  23. Gradisek, V. Domenici, T. Apih, V. Novotna, P. J. Sebastiao, H-1 NMR Relaxometric Study of Molecular Dynamics in a “de Vries” Liquid Crystal, Journal of Physical Chemistry B 2016, 120 4706.
  24. Domenici, A. Gradisek, T. Apih, V. Hamplova, V. Novotna, P. J. Sebastiao, H-1 NMR relaxometry in the TGBA* and TGBC* phases, Ferroelectrics 2016, 495
  25. D. Miranda, F. V. Chavez, T. M. R. Maria, M. E. S. Eusebio, P. J. Sebastiao, P. Martin-Ramos, J. L. Figueirinhas, M. R. Silva, Synthesis of liquid crystals based on hydrogen-bonding of 4-(Octyloxy)benzoic acid with 4-alkylbenzoic acids, Molecular Crystals and Liquid Crystals 2016, 630 87.
  26. Da Cruz, J. L. Figueirinhas, P. J. Sebastião, NMR of Liquid Crystal Dendrimers, Pan Stanford Publishing Pte. Ltd., 2016, pp. 1-248.
  27. J. Sebastião, in Field-cycling NMR Relaxometry: Instrumentation, Model Theories and Applications, The Royal Society of Chemistry, 2019, p. pp. 255-302.
  28. Knapkiewicz, A. Rachocki, M. Bielejewski, P. J. Sebastião, NMR studies of molecular ordering and molecular dynamics in a chiral liquid crystal with the Sm C a* phase, Phys.Rev.E 2020, 101 052708-1.
  29. Lehmann, S. Maisch, N. Scheuring, J. Carvalho, C. Cruz, P. J. Sebastião, R. Y. Dong, From molecular biaxiality of real board-shaped mesogens to phase biaxiality? On the hunt for the holy grail of liquid crystal science, Soft Matter 2019, 15 8496.
  30. Kruk, P. Rochowski, M. Florek-Wojciechowska, P. J. Sebastião, D. J. Lurie, L. M. Broche, 1H spin-lattice NMR relaxation in the presence of residual dipolar interactions Dipolar relaxation enhancement, Journal of Magnetic Resonance 2020, 318 106783.
  31. Daniel, A. M. Rubio, P. J. Sebastiao, C. A. M. Afonso, J. Storch, P. Izak, C. A. M. Portugal, J. G. Crespo, Magnetic modulation of the transport of organophilic solutes through Supported Magnetic Ionic Liquid Membranes, Journal of Membrane Science 2016, 505 36.
  32. Beira, C. I. Daniel, P. L. Almeida, M. C. Corvo, A. A. Rosatella, C. A. M. Afonso, P. J. Sebastião, 1H NMR Relaxometry and Diffusometry Study of Magnetic and Nonmagnetic Ionic Liquid-Based Solutions: Cosolvent and Temperature Effects, J.Phys.Chem.B 2017, 121 11472.
  33. Ordikhani-Seyedlar, J. P. d. A. Martins, P. J. Sebastião, M. J. Jardim-Beira, S. Stapf, F. Vaca-Chávez, C. Mattea, Dynamics of binary mixtures of an ionic liquid and ethanol by NMR, Magn.Reson.Chem. 2018, 56 108.
  34. Cordeiro, M. J. Beira, C. Cruz, J. L. Figueirinhas, M. C. Corvo, P. L. Almeida, A. A. Rosatella, C. A. Afonso, C. I. Daniel, P. J. Sebastião, Tuning the 1H NMR Paramagnetic Relaxation Enhancement and Local Order of [Aliquat]+-Based Systems Mixed with DMSO, International journal of molecular sciences 2021, 22
  35. Brinkkötter, M. Gouverneur, P. J. Sebastião, F. Vaca Chávez, M. Schönhoff, Spin relaxation studies of Li+ ion dynamics in polymer gel electrolytes, Phys.Chem.Chem.Phys. 2017, 19 7390.
  36. C. V. Iulianelli, G. d. David, T. N. dos Santos, P. J. Sebastião, M. I. Tavares, Influence of TiO2 nanoparticle on the thermal, morphological and molecular characteristics of PHB matrix, Polymer Testing 2018, 65 156.
  37. S. Uguz, E. B. Ozvural, M. J. Beira, M. H. Oztop, P. J. Sebastião, Use of NMR Relaxometry to identify frankfurters of different meat sources, Molecular Physics 2019, 117 1015.
  38. I. B. Tavares, E. O. da Silva, P. S. R. C. Silva, P. J. Sebastião, The use of fast field cycling to evaluate the time domain relaxation of starches from tropical fruit seeds, Molecular Physics 2019, 117 1028.
  39. Zava, P. J. Sebastião, S. Catarino, Wine traceability and authenticity: approaches for geographical origin, variety and vintage assessment, Ciência e Técnica Vitivinícola 2020, 35 133.
  40. Ates, M. J. Beira, M. H. Oztop, P. J. Sebastião, Characterization of Pectin-Based Gels: A 1H Nuclear Magnetic Resonance Relaxometry Study, J.Agric.Food Chem. 2021, 69 12102.
  41. J. Sebastião, M. S. S. B. Monteiro, L. M. Brito, E. Rodrigues, F. V. Chávez, M. I. B. Tavares, Conventional and Fast Field Cycling Relaxometry Study of the Molecular Dynamics in Polymer Nanocomposites for Use as Drug Delivery Systems, Journal of Nanoscience and Nanotechnology 2016, 16 7539.
  42. S. S. B. Monteiro, J. Lunz, P. J. Sebastiao, M. I. B. Tavares, Evaluation of Nevirapine Release Kinetics from Polycaprolactone Hybrids, Materials Sciences and Applications 2016, 7 680.
  43. R. Rodrigues, P. J. O. Sebastião, M. I. B. Tavares, 1H time domain NMR real time monitoring of polyacrylamide hydrogels synthesis, Polymer Testing 2017, 60 396.
  44. Roque, D. M. Sousa, P. Sebastião, E. Margato, G. Marques, FFC NMR relaxometer with magnetic flux density control, Journal of Low Power Electronics and Applications 2019, 9 22.
  45. Kumar, C. Cruz, J. L. Figueirinhas, P. J. Sebasti+úo, A. C. Trindade, S. N. Fernandes, M. H. Godinho, J. O. Fossum, Water Dynamics in Composite Aqueous Suspensions of Cellulose Nanocrystals and a Clay Mineral Studied through Magnetic Resonance Relaxometry, J.Phys.Chem.B 2021, 125 1