Luís Mafra
  Principal Researcher  
  phone: +351 234 370 620  
  extension: 23 578  
  departament: Chemistry  
  office: 15.3.  
  research line: L1 - Information and Communication Technology
  research group: G1 - Inorganic Functional Nanomaterials and Organic-Inorganic Hybrids
isi web of knowledgeSM search factor: Mafra, L  
  direct url:  
Short CV

Luís Mafra. b 1978. BSc, 2003, Universidade Nova de Lisboa, Portugal, PhD, 2006, Universidade de Aveiro, Portugal, PhD, 2006, Université de Caen Normandie, France. January–December 2012, guest scientist with a research excellence fellowship, University of Oviedo, Spain (Futtalent program). 2011, invited researcher, Max-Planck-Institut für Polymerforschung, Mainz, Germany. Recipient of Celestino da Costa/Jean Perrin (APDF) and António Xavier (instituted by Bruker) prizes. Since 2007 researcher at CICECO - Aveiro Institute of Materials, University of Aveiro, and manager of the solid-state NMR unit. 2014, promoted to Principal Researcher at CICECO under the national "Investigador FCT" program (classification: 9/9).  He has 12 years of experience in solid-state NMR (SSNMR) spectroscopy and contributed with more than 90 conference communications (including ∼26 talks plus ∼17 invited talks at international conferences and 17 invited oral presentations in research centres overseas). Published about 65 peer-reviewed international publications listed at the SCI (∼40% found in journals with IF > 5) and 4 book chapters related to SSNMR. He is also a member of the editorial board of the solid-state NMR journal (Elsevier) and has been deeply involved in technology transfer, consultancy and collaborative research with multiple private companies.

- Access my metrics in WEB OF SCIENCE searching by AUTHOR:(mafra l*) AND ADDRESS: (ciceco)

For additional details check my resume (pdf below): [updated in May. 2016]

Scientific Interests

In methodology:
- Development of solid-state NMR methods involving resolution enhancement schemes for 1H observation to record high-resolution 1D/2D NMR spectra using CRAMPS methods combined or not with “ultra-fast” MAS technology (up to 100 kHz);
- Sensitivity enhancement methods for the observation of quadrupolar spins and new methods for more robust heteronuclear recoupling between spin-1/2 and spin>1/2 nuclei;
- Use of the GIPAW-DFT approach to calculate NMR tensors in small molecules.

In applications:
- NMR characterization of extended systems (e.g., inorganic-(bio)organic hybrids, porous materials) relevant in heterogeneous catalysis (NMR study of Lewis and Brønsted acidity) with a particular interest for studying modified nanoporous solid sorbents with potential for gas capture/sorption of gases labeled in key NMR-friendly isotopes (e.g., 13CO2 in a gas mixture mimicking flue gas streams);
- Combining high-resolution 1H solid-state NMR recoupling methods, X-ray diffraction and computational ap- proaches to study crystal packing interactions on pharmaceuticals and materials (NMR crystallography);
- Study drug-drug and drug-host interactions of molecular scaffolds as drug delivery systems.

Present Research Group

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.

Present projects

Main FCT projects:
- PTDC/QUI-QUI/100998/2008
- PTDC/QUI-QUI/098892/2008
- PTDC/QUI-QUI/113678/2009


Main projects with industry:
2012-2014: BP Amoco Chemical Company and BP Chemicals, Ltd (500 kEuros)

Selected Publications

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, in press (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.

Mafra, L., Rocha, J., Fernandez, C., Castro, G. R., García-Granda, S., Espina, A., Khainakov, S. A., García, J. R., Characterization of Layered γ-Titanium Phosphate (C2H5NH3)[Ti(H1.5PO4)(PO4)]2·H2O Intercalate: a Combined NMR, Synchrotron XRD, and DFT Calculations Study, Chem. Mater., 20(12) (2008) 3944-3953.

Coelho, C., Rocha, J., Madhu P. K. and Mafra, L., Practical Aspects of Lee-Goldburg Based CRAMPS Techniques for High-Resolution 1H NMR Spectroscopy in Solids: Implementation and Applications, J. Magn. Reson., 194 (2008) 264–282.

Mafra, L., Coelho, C., Siegel, R. and Rocha, J., Assessing the performance of windowed 1H CRAMPS methods on biological solids, at high-field and fast MAS, J. Magn. Reson., 197 (2008) 20-27.

ongoing scientific supervisions