Ongoing Supervisions
Projects
A Pan-European Solid-State NMR Infrastructure for Chemistry-Enabling Access (PANACEA)

PartnerEuropean Comission
The chemicals industry is one of Europe’s largest manufacturing sectors. Its modernisation relies on the capacity for atomic-level investigation of increasingly complex solid substrates in multifaceted research areas. Advances have been made in the development and use of solid-state nuclear magnetic resonance (NMR) spectroscop...Redox-active Metal-Organic Frameworks as Electrode Materials for Lithium-Ion Batteries (RedoxMOFs)
PartnerFundação para a Ciência e a Tecnologia
Unveiling CO2 chemisorption mechanisms in solid adsorbents via surface-enhanced ex(in)-situ NMR (NMR4CO2)
CoordinatorEuropean Comission
Reaching a record high of 32.5 gigatonnes in 2017, global CO2 emissions from fossil fuel combustion continue to increase. Adsorption is considered a viable technology to reduce CO2 emissions. Because of its lower regeneration cost, amine-modified porous silica (AMPS) is the most promising CO2-adsorbent material for replacing the decades-old liqu...Advanced solid-state NMR methods to study CO2 capture mechanisms at variable pressures in nanoporous hybrids (IF/01401/2013/CP1162/CT0012)
CoordinatorFundação para a Ciência e a Tecnologia
Can the carbon and nitrogen linkage patterns reveal the origin of the water-soluble organic matter in atmospheric aerosols? (PTDC/AAG-MAA/2584/2012)
PartnerFundação para a Ciência e a Tecnologia
Atmospheric aerosols Water-soluble organic matter Organic nitrogen Organic aerosols originDelivery vehicles of therapeutic gasotransmitters NO and H2S based on nanoporous materials (PTDC/MED-QUI/28721/2017)
PartnerFundação para a Ciência e a Tecnologia
Desenvolvimento de microdispositivos flexiveis a base de microagulhas de biocimento composito para administracao transdermica de fármacos; (FlexMicroDerm)
PartnerFundação para a Ciência e a Tecnologia
Desenvolvimento de novos materiais piezoele?tricos baseados em de pepti?deos auto- organizado nanoestruturados (BioPiezo)
PartnerFundação para a Ciência e a Tecnologia
Design of acid-functionalised periodic mesoporous organosilica catalysts for reactions with/in water (PTDC/QUI-QUI/113678/2009)
PartnerFundação para a Ciência e a Tecnologia
mesoporous materials heterogeneous catalysis acid catalysts organic-inorganic hybridsDevelopment of High-Resolution 1h Solid-State NMR Methods and Applications on Materials and Molecules of Biological Interest (PTDC/QUI-QUI/100998/2008)
CoordinatorFundação para a Ciência e a Tecnologia
Solid-state NMR spectroscopy High-resolution NMR 1H CRAMPS Ultra-fast MASEspecies de CO2 formadas a superficie de materiais porosos para aplicacoes ambientais caracterizadas por RMN de polarizacao nuclear dinamica (GAS2MAT-DNPSENS)
PartnerFundação 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)
CoordinatorOther National
Metal-Organic Frameworks as light harvesting nanomaterials (FOTOMOF)
Local CoordinatorFundação para a Ciência e a Tecnologia
Nano-sized Functional Metal-Organic Frameworks Based on Lanthanide Polyphosphonates (PTDC/QUI-QUI/098098/2008)
PartnerFundação para a Ciência e a Tecnologia
Metal-Organic Frameworks Crystal Engineering Photoluminescent thin films Heterogeneous CatalystsPolymorphism in pharmaceuticals: new insights from NMR Crystallography (EXPL/QEQ-QFI/2078/2013)
PartnerFundação para a Ciência e a Tecnologia
Solid-state NMR spectroscopy Polymorphism in active pharmaceutical ingredients NMR Crystallography Dynamic nuclear polarizationVariable pressure solid-state NMR methods to study gas-surface interactions in nanoporous sorbent materials for industrial post/pre-combustion CO2 capture (PTDC/QEQ-QAN/6373/2014)
CoordinatorFundação para a Ciência e a Tecnologia
Publications
Elucidating the Germanium Distribution in ITQ-13 Zeolites by Density Functional Theory**
Fischer, M; Bornes, C; Mafra, L; Rocha, J
2022, CHEMISTRY-A EUROPEAN JOURNAL, 28, 14.
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Elucidating the Nature of the External Acid Sites of ZSM-5 Zeolites Using NMR Probe Molecules
Bornes, C; Stosic, D; Geraldes, CFGC; Mintova, S; Rocha, J; Mafra, L
2022, CHEMISTRY-A EUROPEAN JOURNAL, 28, 64.
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Exploring Molecular Dynamics of Adsorbed CO2 Species in Amine- Modified Porous Silica by Solid-State NMR Relaxation
Fonseca, R; Vieira, R; Sardo, M; Marin-Montesinos, I; Mafra, L
2022, JOURNAL OF PHYSICAL CHEMISTRY C, 126, 30, 12582-12591.
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Moisture effect on the separation of CO2/CH4 mixtures with amine-functionalised porous silicas
Pacheco, M; Bordonhos, M; Sardo, M; Afonso, R; Gomes, JRB; Mafra, L; Pinto, ML
2022, CHEMICAL ENGINEERING JOURNAL, 443.
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Through-space hopping transport in an iodine-doped perylene-based metal-organic framework
Valente, G; Esteve-Rochina, M; Paracana, A; Rodriguez-Dieguez, A; Choquesillo-Lazarte, D; Orti, E; Calbo, J; Ilkaeva, M; Mafra, L; Hernandez-Rodriguez, MA; Rocha, J; Alves, H; Souto, M
2022, MOLECULAR SYSTEMS DESIGN & ENGINEERING, 7, 9, 1065-1072.
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2D Layered Dipeptide Crystals for Piezoelectric Applications
Zelenovskii, PS; Romanyuk, K; Liberato, MS; Brandao, P; Ferreira, FF; Kopyl, S; Mafra, LM; Alves, WA; Kholkin, AL
2021, ADVANCED FUNCTIONAL MATERIALS, 31, 43.
ISBN:
1616-3028
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Hidden CO2 in Amine-Modified Porous Silicas Enables Full Quantitative NMR Identification of Physi- and Chemisorbed CO2 Species
Vieira, R; Marin-Montesinos, I; Pereira, J; Fonseca, R; Ilkaeva, M; Sardo, M; Mafra, L
2021, JOURNAL OF PHYSICAL CHEMISTRY C, 125, 27, 14797-14806.
ISBN:
1932-7455
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Unravelling moisture-induced CO2 chemisorption mechanisms in amine-modified sorbents at the molecular scale
Sardo, M; Afonso, R; Juzkow, J; Pacheco, M; Bordonhos, M; Pinto, ML; Gomes, JRB; Mafra, L
2021, JOURNAL OF MATERIALS CHEMISTRY A, 9, 9, 5542-5555.
ISBN:
2050-7496
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What Is Being Measured with P-Bearing NMR Probe Molecules Adsorbed on Zeolites?
Bornes, C; Fischer, M; Amelse, JA; Geraldes, CFGC; Rocha, J; Mafra, L
2021, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143, 34, 13616-13623.
ISBN:
1520-5126
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Storage and delivery of H2S by microporous and mesoporous materials
Fernandes, AC; Pinto, R; Carvalho, S; Mafra, L; Rocha, J; Pinto, M; Antunes, F; Pires, J
2021, MICROPOROUS AND MESOPOROUS MATERIALS, 320.
ISBN:
1873-3093
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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
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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
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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
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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
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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
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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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