Luís Mafra. b 1978, is currently a Principal Researcher at CICECO - Aveiro Institute of Materials, University of Aveiro, Portugal. In 2006, he obtained his PhD from University of Caen (Laboratoire de Catalyse et Spectrochimie), France & University of Aveiro, Portugal, working on solid-state NMR spectroscopy. During this period he developed NMR methodologies to study the structure of hybrid materials using 1H high-resolution CRAMPS NMR techniques and methods to observe quadrupolar nuclei. In 2011 he was a Postdoctoral fellow at Max-Planck-Institut für Polymerforschung, Mainz, Germany. Published ca. 80 SCI research papers and 5 book chapters and gave ca. 55 talks and invited talks at conferences. Since 2010, he has been involved in technology transfer and collaborative research with multiple private companies.
Received various honors & awards, including: 2019 - European Research Council (ERC) Consolidator Grant; 2014 - promoted to Principal Researcher under the national “Investigator FCT” competitive program; 2014 - Adjunct Senior Lecturer honorary title, Sydney University (Australia); 2012 - guest scientist, University of Oviedo, (Spain); 2006 - recipient of Celestino da Costa/Jean Perrin prize; 2009 - António Xavier Bruker prize. He is a member of the editorial board of Solid-state NMR (Elsevier) and regular reviewer of projects from governmental funding agencies of multiple countries.
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ORCID: https://orcid.org/0000-0003-1028-8354
Scopus ID: 8877889600
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My research interests include the combination of advanced solid‐state (SSNMR) techniques with computational methods to study crystal packing interactions in small molecule powdered pharmaceuticals, and acidity in microporous materials (mostly zeolites) relevant for heterogeneous catalysis. Over the last years, I became interested in studying modified (porous) silica chemisorbents relevant for post- and pre-combustion CO2 capture applications. My main interest lies in the tandem use of SSNMR methods and modeling to study CO2 speciation at material’s surfaces using labeled gases containing NMR‐friendly isotopes. I try to develop NMR methodologies suitable to study at the atomic scale the CO2-sorption mechanism in a variety of porous sorbents either in pure CO2, binary mixtures or more complex gas compositions of industrial relevance.
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Present members:
- Supervision of Paul Wiper (postdoctoral worker). Project between UA and BP Amoco Chemical Company and BP Chemicals, Ltd: Development and application of high-resolution solid-state NMR methods to study molecular sieve catalysts of industrial interest. - Supervision (with Prof. João Rocha and Prof. Beat Meier, ETH Zürich) of Mariana Sardo (postdoctoral worker). Project: Employing high-resolution solid-state NMR at high magic-angle spinning frequencies for structural determination of microcrystalline proteins. (SFRH/BPD/65978/2009). - Co-supervision (with Prof. João Rocha) of Sérgio Santos (postdoctoral worker). Project: NMR crystallography of powdered solids: a combined computational and experimental investigation. (SFRH/BPD/64752/2009). - Supervision (in co-tutelle with Prof. Santiago García-Granda, Univ. of Oviedo, Spain) of Oleksii Pustovarenko (PhD student). Project: Modifications of nanoporous hybrid materials for gas conversion. November 2011 - Supervision (with Dr. Eurico Cabrita) of Lin Tian (postdoctoral worker). Project: Development of high-resolution 1H solid-state NMR methods and applications on materials and molecules of biological interest. (PTDC/QUIQUI/ 100998/2008).
Former members:
June 2011 - June 2012 -Supervision (with Dr. José Gomes) of Carlos Rezende (BI grant holder). Project: Development of high-resolution 1H solid-state NMR methods and applications on materials and molecules of biological interest. (PTDC/QUIQUI/ 100998/2008). March 2011 - June 2011 -Co-supervision (with Dr. Juergen Senker, University of Bayreuth, Germany) of Julia Wack (visitor PhD student). January 2010 - August 2011 -Co-supervision of Yin-feng Han (postdoctoral worker). Project: Design, synthesis and properties of multi-functional transition-lanthanide chiral metal-bioorganic frameworks. (SFRH/BPD/46268/2009). October 2009 - October 2010 -Supervision of Inês Alves under Initiation Research Grant (BII). Project: Estudos de RMN de materiais com interesse biológico e farmacológico. English translation: NMR studies of materials of biological and pharmaceutical interest. (BII 09 - CICECO). Since April 2008 -Supervision of Renée Siegel (postdoctoral worker) in methodological developments involving quadrupolar and 1H spins and applications using solid-state NMR spectroscopy. (SFRH/BPD/44355/2008). January 2008 - January 2009 Co-supervision of Leonel Alegre (postdoctoral worker). Project: From ancient pigments to modern paints: unveiling the secrets of Art with a little help from Nuclear Magnetic Resonance techniques. (SFRH/BPD/40505/2007). October 2007 - August 2008 Supervision of Cristina Coelho (postdoctoral worker). Project: Development and application of 1H high-resolution NMR techniques to study hybrid solid materials. (SFRH/BPD/34136/2006). July - August 2007 Supervision of Irina Stan, visiting Ph.D. student from Laboratoire de Catalyse et Spectrochimie, Université de Caen. Project: Basic concepts of solid-state NMR and optimisation of the 1H-14N R3 HETCOR sequence.
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Čendak, T., Sequeira, L., Sardo, M., Valente, A., Pinto, M. P., Mafra, L., Detecting proton-transfer in CO2 species chemisorbed on amine-modifi ed mesoporous silicas using 13 C NMR chemical shift anisotropy and smart control of amine surface density. Chem. Eur. J., 2018, Accepted.
Mafra, L., Čendak, T., Schneider, S., Wiper, P. V., Pires, J., Gomes, J. R. B., Pinto, M., The structure of chemisorbed CO 2 species in amine-functionalized mesoporous silicas studied by solid-state NMR and computer modeling. J. Am. Chem. Soc., 139 (2017) 389-408.
Wiper, P. V., Amelse, J., Mafra, L., Multinuclear solid-state NMR characterization of the Brønsted/Lewis acid properties in the BP HAMS-1B (H-[B]-ZSM-5) borosilicate molecular sieve using adsorbed TMPO and TBPO probe molecules. J. Catal., 316 (2014) 240-250.
Mafra, L. and Klinowski, J., Advanced solid-state NMR techniques for the study of molecular sieves. In Encyclopedia of Magnetic Resonance, (Eds Harris, R.K. and Wasylishen, R.), Wiley, 2012, (DOI: 10.1002/9780470034590.emrstm1307).
Mafra, L., Santos, S.M., Siegel, R., Alves, I., Paz, F., Dudenko, D. and Spiess, H. W., Packing interactions in hydrated and anhydrous forms of the antibiotic Ciprofloxacin: a solid-state NMR, X-ray diffraction and computer simulation study. J. Am. Chem. Soc., 134 (2012) 71-74.
Sardo, M., Siegel, R., Santos, S. M., Rocha, J., Gomes, J. R. B., Mafra, L., Combining Multinuclear High-Resolution Solid-State MAS NMR and Computational Methods for Resonance Assignment of Glutathione Tripeptide. J. Phys. Chem. A, 116 (2012) 6711-6719.
Siegel, R., Domingues, E., De Sousa, R., Jérôme, F., Morais, C. M., Bion, N., Ferreira, P., Mafra, L., Understanding the high catalytic activity of propylsulfonic acid-functionalized periodic mesoporous benzenesilicas by high-resolution 1H solid-state NMR spectroscopy. J. Mater. Chem., 22 (2012) 7412-7419.
Mafra, L., Siegel, R., Fernandez, C., Schneider, D., Aussenac, F. and Rocha, J., High-resolution 1H homonuclear dipolar recoupling NMR spectra of biological solids at MAS rates up to 67 kHz. J. Magn. Reson., 199 (2009) 111-114.
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Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light EmissionAmghouz, Z; Garcia-Granda, S; Garcia, JR; Ferreira, RAS; Mafra, L; Carlos, LD; Rocha, J 2012, INORGANIC CHEMISTRY, 51, 3, 1703-1716.
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Packing Interactions in Hydrated and Anhydrous Forms of the Antibiotic Ciprofloxacin: a Solid-State NMR, X-ray Diffraction, and Computer Simulation StudyMafra, L; Santos, SM; Siegel, R; Alves, I; Paz, FAA; Dudenko, D; Spiess, HW 2012, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 134, 1, 71-74.
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Combining Multinuclear High-Resolution Solid-State MAS NMR and Computational Methods for Resonance Assignment of Glutathione TripeptideSardo, M; Siegel, R; Santos, SM; Rocha, J; Gomes, JRB; Mafra, L 2012, JOURNAL OF PHYSICAL CHEMISTRY A, 116, 25, 6711-6719.
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Understanding the high catalytic activity of propylsulfonic acid-functionalized periodic mesoporous benzenesilicas by high-resolution H-1 solid-state NMR spectroscopySiegel, R; Domingues, E; De Sousa, R; Jerome, F; Morais, CM; Bion, N; Ferreira, P; Mafra, L 2012, JOURNAL OF MATERIALS CHEMISTRY, 22, 15, 7412-7419.
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Structural Characterization of Zeolites by Advanced Solid State NMR Spectroscopic MethodsMafra, L; Vidal-Moya, JA; Blasco, T 2012, ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 77, 77, 259-351.
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Improving the H-1 indirect dimension resolution of 2D CRAMPS NMR spectra: A simulation and experimental investigationSiegel, R; Mafra, L; Rocha, J 2011, SOLID STATE NUCLEAR MAGNETIC RESONANCE, 39, 3-4, 81-87.
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Layered double hydroxides with interlayer borate anions: A critical evaluation of synthesis methodology and pH-independent orientations in nano-galleriesAy, AN; Zumreoglu-Karan, B; Temel, A; Mafra, L 2011, APPLIED CLAY SCIENCE, 51, 3, 308-316.
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Adsorption and Activation of CO2 by Amine-Modified Nanoporous Materials Studied by Solid-State NMR and (CO2)-C-13 AdsorptionPinto, ML; Mafra, L; Guil, JM; Pires, J; Rocha, J 2011, CHEMISTRY OF MATERIALS, 23, 6, 1387-1395.
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Revisiting the Thermal Decomposition of Layered gamma-Titanium Phosphate and Structural Elucidation of Its Intermediate PhasesGarcia-Granda, S; Khainakov, SA; Espina, A; Garcia, JR; Castro, GR; Rocha, J; Mafra, L 2010, INORGANIC CHEMISTRY, 49, 6, 2630-2638.
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Clean synthesis of molecular recognition polymeric materials with chiral sensing capability using supercritical fluid technology. Application as HPLC stationary phasesda Silva, MS; Vao, ER; Temtem, M; Mafra, L; Caldeira, J; Aguiar-Ricardo, A; Casimiro, T 2010, BIOSENSORS & BIOELECTRONICS, 25, 7, 1742-1747.
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Production of chitin-glucan complex (CGC) from biodiesel industry byproductChagas, B; Freitas, F; Mafra, L; Cortez, J; Oliveira, R; Reis, MAM 2010, JOURNAL OF BIOTECHNOLOGY, 150, S381-S382.
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Metal Organic Frameworks Assembled from Y(III), Na(I), and Chiral Flexible-Achiral Rigid DicarboxylatesAmghouz, Z; Roces, L; Garcia-Granda, S; Garcia, JR; Souhail, B; Mafra, L; Shi, FN; Rocha, J 2010, INORGANIC CHEMISTRY, 49, 17, 7917-7926.
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3D-2D-0D Stepwise Deconstruction of a Water Framework Templated by a Nanoporous Organic-Inorganic Hybrid HostRocha, J; Shi, FN; Paz, FAA; Mafra, L; Sardo, M; Cunha-Silva, L; Chisholm, J; Ribeiro-Claro, P; Trindade, T 2010, CHEMISTRY-A EUROPEAN JOURNAL, 16, 26, 7741-7749.
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Combining STMAS and CRAMPS NMR spectroscopy: High-resolution HETCOR NMR spectra of quadrupolar and H-1 nuclei in solidsSiegel, R; Rocha, J; Mafra, L 2009, CHEMICAL PHYSICS LETTERS, 470, 4-6, 337-341.
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H-1-H-1 double-quantum CRAMPS NMR at very-fast MAS (nu(R)=35 kHz): A resolution enhancement method to probe H-1-H-1 proximities in solidsMafra, L; Gomes, JRB; Trebosc, J; Rocha, J; Amoureux, JP 2009, JOURNAL OF MAGNETIC RESONANCE, 196, 1, 88-91.
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Characterisation of pharmaceutical solids combining NMR, X-ray diffraction and computer modellingMariana Sardo, Inês Martins, Chiara Vladiskovic, M.Teresa Duarte, João Rocha, Norberto Masciocchi and Luís Mafra In María Angeles Canales (Eds.), Biophysical Techniques in Drug Discovery 2018, 120-169. Royal Society of Chemistry.
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Calculation of NMR TensorsL. Mafra, S. M. Santos, M. Sardo, F. Heather In Yuriy A. Abramov (Eds.), Computational Pharmaceutical Solid State Chemistry 2016, 287-329. John Wiley & Sons, Inc.
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Solid-state NMR applications in the structural elucidation of small moleculesSardo, M., Rocha, J. and Mafra, L. In Cid, M-M and Bravo, J. (Eds.), Structure Elucidation in Organic Chemistry: The Search for the Right Tools 2015, Wiley-VCH.
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Crystalline molecular sievesMafra, L. and Klinowski, J. In R. K. Harris and R. Wasylishen (Eds.), Encyclopedia of Magnetic Resonance 2013, Chichester: John Wiley & Sons.
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Advanced solid-state NMR techniques for the study of molecular sievesMafra, L. and Klinowski, J. In R. K. Harris and R. Wasylishen (Eds.), Encyclopedia of Magnetic Resonance 2013, Chichester: John Wiley & Sons.
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Structural Characterization of Zeolites by Advanced Solid State NMR Spectroscopic MethodsLuís Mafra, José Alejandro Vidal-Moya, Teresa Blasco In Graham A. Webb (Eds.), Annual Reports on NMR Spectroscopy 2012, 77, New York: Elsevier.
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