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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Synthetic and Catalytic Potential of Amorphous Mesoporous Aluminosilicates Prepared by Postsynthetic Aluminations of Silica in Aqueous MediaLocus, R; Verboekend, D; d'Halluin, M; Dusselier, M; Liao, YH; Nuttens, N; Jaumann, T; Oswald, S; Mafra, L; Giebeler, L; Sels, B 2018, CHEMCATCHEM, 10, 6, 1385-1397.
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Amine functionalized porous silica for CO2/CH4 separation by adsorption: Which amine and whyMafra, L; Cendak, T; Schneider, S; Wiper, PV; Pires, J; Gomes, JRB; Pinto, ML 2018, CHEMICAL ENGINEERING JOURNAL, 336, 612-621.
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Detecting Proton Transfer in CO2 Species Chemisorbed on Amine-Modified Mesoporous Silicas by Using (CNMR)-C-13 Chemical Shift Anisotropy and Smart Control of Amine Surface DensityCendak, T; Sequeira, L; Sardo, M; Valente, A; Pinto, ML; Mafra, L 2018, CHEMISTRY-A EUROPEAN JOURNAL, 24, 40, 10136-10145.
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Understanding Polymorphic Control of Pharmaceuticals Using lmidazolium-Based Ionic Liquid Mixtures as Crystallization Directing AgentsMartins, ICB; Gomes, JRB; Duarte, MT; Mafra, L 2017, CRYSTAL GROWTH & DESIGN, 17, 2, 428-432.
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Structure of Chemisorbed CO2 Species in Amine-Functionalized Mesoporous Silicas Studied by Solid-State NMR and Computer ModelingMafra, L; Cendak, T; Schneider, S; Wiper, PV; Pires, J; Gomes, JRB; Pinto, ML 2017, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139, 1, 389-408.
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Microwave-assisted N,N-dialkylation of amine-functionalized periodic mesoporous phenylene-silica: An easy and fast way to design materialsLourenco, MAO; Ferreira, MJG; Sardo, M; Mafra, L; Gomes, JRB; Ferreira, P 2017, MICROPOROUS AND MESOPOROUS MATERIALS, 249, 10-15.
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Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMRMartins, ICB; Sardo, M; Santos, SM; Femandes, A; Antunes, A; Andre, V; Mafra, L; Duarte, MT 2016, CRYSTAL GROWTH & DESIGN, 16, 1, 154-166.
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Boron removal and reinsertion studies in B-10-B-11 exchanged HAMS-1B (H-[B]-ZSM-5) borosilicate molecular sieves using solid-state NMRHough, A; Routh, AF; Clarke, SM; Wiper, PV; Amelse, JA; Mafra, L 2016, JOURNAL OF CATALYSIS, 334, 14-22.
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A supramolecular strategy based on molecular dipole moments for high-quality covalent organic frameworksSalonen, LM; Medina, DD; Carbo-Argibay, E; Goesten, MG; Mafra, L; Guldris, N; Rotter, JM; Stroppa, DG; Rodriguez-Abreu, C 2016, CHEMICAL COMMUNICATIONS, 52, 51, 7986-7989.
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Interaction of CO2 and CH4 with Functionalized Periodic Mesoporous Phenylene-Silica: Periodic DFT Calculations and Gas Adsorption MeasurementsLourenco, MAO; Siquet, C; Sardo, M; Mafra, L; Pires, J; Jorge, M; Pinto, ML; Ferreira, P; Gomes, JRB 2016, JOURNAL OF PHYSICAL CHEMISTRY C, 120, 7, 3863-3875.
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Diazole-based powdered cocrystal featuring a helical hydrogen-bonded network: Structure determination from PXRD, solid-state NMR and computer modelingSardo, M; Santos, SM; Babaryk, AA; Lopez, C; Alkorta, I; Elguero, J; Claramunt, RM; Mafra, L 2015, SOLID STATE NUCLEAR MAGNETIC RESONANCE, 65, 49-63.
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Chitin-glucan complex production by Komagataella pastoris: Downstream optimization and product characterizationFarinha, I; Duarte, P; Pimentel, A; Plotnikova, E; Chagas, B; Mafra, L; Grandfils, C; Freitas, F; Fortunato, E; Reis, MAM 2015, CARBOHYDRATE POLYMERS, 130, 455-464.
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Rationalizing the role of the anion in CO2 capture and conversion using imidazolium-based ionic liquid modified mesoporous silicaAquino, AS; Bernard, FL; Borges, JV; Mafra, L; Dalla Vecchia, F; Vieira, MO; Ligabue, R; Seferin, M; Chaban, VV; Cabrita, EJ; Einloft, S 2015, RSC ADVANCES, 5, 79, 64220-64227.
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X-ray and NMR Crystallography Studies of Novel Theophylline Cocrystals Prepared by Liquid Assisted GrindingFernandes, JA; Sardo, M; Mafra, L; Choquesillo-Lazarte, D; Masciocchi, N 2015, CRYSTAL GROWTH & DESIGN, 15, 8, 3674-3683.
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Solid acids with SO3H groups and tunable surface properties: versatile catalysts for biomass conversionRusso, PA; Antunes, MM; Neves, P; Wiper, PV; Fazio, E; Neri, F; Barreca, F; Mafra, L; Pillinger, M; Pinna, N; Valente, AA 2014, JOURNAL OF MATERIALS CHEMISTRY A, 2, 30, 11813-11824.
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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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