Luís Mafra

Investigador Principal

Perfil biográfico

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. 95 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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Scopus ID: 8877889600

Interesses científicos

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.

Grupo de Investigação

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.

Projectos financiados

Publicações seleccionadas

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.

Supervisões em Curso


A natureza das ligações de carbono e azoto como fator discriminante da origem da matéria orgânica solúvel em água de aerossóis atmosféricos (PTDC/AAG-MAA/2584/2012)

ParticipanteFundação para a Ciência e a Tecnologia
Atmospheric aerosols Water-soluble organic matter Organic nitrogen Organic aerosols origin

Advanced solid-state NMR methods to study CO2 capture mechanisms at variable pressures in nanoporous hybrids (IF/01401/2013/CP1162/CT0012)

CoordenadorFundação para a Ciência e a Tecnologia

Dadores de gasotransmissores NO e H2S terapêuticos baseados em materiais nanoporosos (PTDC/MED-QUI/28721/2017)

ParticipanteFundação para a Ciência e a Tecnologia

Desenvolvimento de Catalisadores ácidos à base de organissílicas mesoporosas periódicas para reacções na presença de àgua (PTDC/QUI-QUI/113678/2009)

ParticipanteFundação para a Ciência e a Tecnologia
materiais mesoporosos catálise heterogénea catalisadores ácidos híbridos orgânicos-inorgânicos

Desenvolvimento de métodos de ressonância magnética nuclear de alta resolução para 1H e aplicações em materiais e moléculas de interesse biológico (PTDC/QUI-QUI/100998/2008)

CoordenadorFundação para a Ciência e a Tecnologia
Espectroscopia RMN do estado sólido RMN de alta resolução 1H CRAMPS MAS Ultra-rápido

Desenvolvimento de microdispositivos flexiveis a base de microagulhas de biocimento composito para administracao transdermica de fármacos; (FlexMicroDerm)

ParticipanteFundação para a Ciência e a Tecnologia

Desenvolvimento de novos materiais piezoele?tricos baseados em de pepti?deos auto- organizado nanoestruturados (BioPiezo)

ParticipanteFundação para a Ciência e a Tecnologia

Especies de CO2 formadas a superficie de materiais porosos para aplicacoes ambientais caracterizadas por RMN de polarizacao nuclear dinamica (GAS2MAT-DNPSENS)

ParticipanteFundação para a Ciência e a Tecnologia

Estruturas metalo-organicas como nanomateriais fotoativos (FOTOMOF)

Coordenador LocalFundação para a Ciência e a Tecnologia

Estudo da captura de CO2 via pós/pré-combustão industriais sorbentes nanoporosos por RMN do estado sólido a pressão variável (PTDC/QEQ-QAN/6373/2014)

CoordenadorFundação para a Ciência e a Tecnologia

High-resolution solid-state NMR and powder diffraction two complementary techniques for the characterization of organic-inorganic hybrid nanomaterials based on metal phosphates (Acção Integrada Luso-Espanhola E-93/08)

CoordenadorOther National

Poliformismo em fármacos: novas evidências por cristalografia de RMN (EXPL/QEQ-QFI/2078/2013)

ParticipanteFundação para a Ciência e a Tecnologia
RMN de estado sólido Polimorfismo de APIs Cristalografia de RMN Polarização dinâmica nuclear

Redes Metalo-Orgânicas Nanométricas Baseadas em Polifosfonatos de Lantanídeos (PTDC/QUI-QUI/098098/2008)

ParticipanteFundação para a Ciência e a Tecnologia
Redes Metalo-Orgânicas Engenharia de Cristais Filmes Fotoluminescentes Catalisadores Heterogéneos


Thermal and mechanical stability of lanthanide-containing glass-ceramic sealants for solid oxide fuel cells

Reddy, AA; Goel, A; Tulyaganov, DU; Sardo, M; Mafra, L; Pascual, MJ; Kharton, VV; Tsipis, EV; Kolotygin, VA; Ferreira, JMF
2014, JOURNAL OF MATERIALS CHEMISTRY A, 2, 6, 1834-1846.

Multinuclear solid-state NMR characterization of the Bronsted/Lewis acid properties in the BP HAMS-1B (H-[B]-ZSM-5) borosilicate molecular sieve using adsorbed TMPO and TBPO probe molecules

Wiper, PV; Amelse, J; Mafra, L
2014, JOURNAL OF CATALYSIS, 316, 240-250.

Microwave assisted N-alkylation of amine functionalized crystal-like mesoporous phenylene-silica

Lourenco, MAO; Siegel, R; Mafra, L; Ferreira, P
2013, DALTON TRANSACTIONS, 42, 16, 5631-5634.

NMR Crystallography: Toward Chemical Shift-Driven Crystal Structure Determination of the beta-Lactam Antibiotic Amoxicillin Trihydrate

Santos, SM; Rocha, J; Mafra, L
2013, CRYSTAL GROWTH & DESIGN, 13, 6, 2390-2395.

Melilite glass-ceramic sealants for solid oxide fuel cells: effects of ZrO2 additions assessed by microscopy, diffraction and solid-state NMR

Reddy, AA; Tulyaganov, DU; Goel, A; Sardo, M; Wiper, PV; Pascual, MJ; Kharton, VV; Kolotygin, VA; Tsipis, EV; Mafra, L; Ferreira, JMF
2013, JOURNAL OF MATERIALS CHEMISTRY A, 1, 21, 6471-6480.

KCa4(BO3)(3):Ln(3+) (Ln = Dy, Eu, Tb) phosphors for near UV excited white-light-emitting diodes

Reddy, AA; Das, S; Goel, A; Sen, R; Siegel, R; Mafra, L; Prakash, GV; Ferreira, JMF
2013, AIP ADVANCES, 3, 2.

Identifying Selective Host-Guest Interactions Based on Hydrogen Bond Donor-Acceptor Pattern in Functionalized Al-MIL-53 Metal-Organic Frameworks

Wack, J; Siegel, R; Ahnfeldt, T; Stock, N; Mafra, L; Senker, J
2013, JOURNAL OF PHYSICAL CHEMISTRY C, 117, 39, 19991-20001.

Co-II/Zn-II-(L-Tyrosine) Magnetic Metal-Organic Frameworks

Zhou, B; Silva, NJO; Shi, FN; Palacio, F; Mafra, L; Rocha, J

Synthesis of an O-alkynyl-chitosan and its chemoselective conjugation with a PEG-like amino-azide through click chemistry

Oliveira, JR; Martins, MCL; Mafra, L; Comes, P
2012, CARBOHYDRATE POLYMERS, 87, 1, 240-249.

Hydrothermal synthesis, crystal structures and photoluminescence properties of mixed europium-yttrium organic frameworks

Han, YF; Fu, LS; Mafra, L; Shi, FN

Characterisation of pharmaceutical solids combining NMR, X-ray diffraction and computer modelling

In María Angeles Canales (Eds.), Biophysical Techniques in Drug Discovery
Mariana Sardo, Inês Martins, Chiara Vladiskovic, M.Teresa Duarte, João Rocha, Norberto Masciocchi and Luís Mafra
2018, 120-169, Royal Society of Chemistry.
ISBN: 978-1-78262-733-3

Calculation of NMR Tensors

In Yuriy A. Abramov (Eds.), Computational Pharmaceutical Solid State Chemistry
L. Mafra, S. M. Santos, M. Sardo, F. Heather
2016, 287-329, John Wiley & Sons, Inc.
ISBN: 978-1-118-70074-7

Solid-state NMR applications in the structural elucidation of small molecules

In Cid, M-M and Bravo, J. (Eds.), Structure Elucidation in Organic Chemistry: The Search for the Right Tools
Sardo, M., Rocha, J. and Mafra, L.
2015, Wiley-VCH.
ISBN: 978-3-527-33336-3

Crystalline molecular sieves

In R. K. Harris and R. Wasylishen (Eds.), Encyclopedia of Magnetic Resonance
Mafra, L. and Klinowski, J.
2013, Chichester, John Wiley & Sons.
ISBN: 9780470034590

Advanced solid-state NMR techniques for the study of molecular sieves

In R. K. Harris and R. Wasylishen (Eds.), Encyclopedia of Magnetic Resonance
Mafra, L. and Klinowski, J.
2013, Chichester, John Wiley & Sons.
ISBN: 9780470034590

Structural Characterization of Zeolites by Advanced Solid State NMR Spectroscopic Methods

In Graham A. Webb (Eds.), Annual Reports on NMR Spectroscopy
Luís Mafra, José Alejandro Vidal-Moya, Teresa Blasco
2012, 77, New York, Elsevier.
ISBN: 978-0-12-408097-3

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