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) spectroscopy, a powe...Compreender os mecanismos de sorção em silicatos de Li e Na usados como sorventes de captura de CO2 nos processos de pré/pós- combustão : estratégias para síntese e RMN do estado sólido. (DRI/INDIA/0518/2020)
CoordinatorFundação para a Ciência e a Tecnologia
Captura de CO2; Silicatos de lítio; Propriedades sorventes; RMN do estado sólidoRationale design of sustainable porous organosilicas for optimal CO2 uptake from biogas (GRACE)
CoordinatorEuropean Comission
Redox-active Metal-Organic Frameworks as Electrode Materials for Lithium-Ion Batteries (RedoxMOFs)
PartnerFundação para a Ciência e a Tecnologia
One of the main concerns of modern society is reducing its dependence on fossil fuels. Due to their low cost and low environmental impact, electrical energy storage devices are among the most promising alternatives to conventional fossil fuels, as the electricity generated from renewable sources may be efficiently stored. In particular, lithium-...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
Polímeros de coordenação; Aceitantes Perilenodiimida ; Material Fotoactivo Nanoestruturado; Conversão luz-electrõesNano-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
RMN do estado sólido in situ; Captura CO2 e contaminantes a pressão variável; Materiais híbridos inorgânicos-orgânicos; Industrial flue gas streamsPublications
Assessing CO2 Capture in Porous Sorbents via Solid-State NMR-Assisted Adsorption Techniques
Marina Ilkaeva, Ricardo Vieira, João Pereira, Mariana Sardo, Ildefonso Marín Montesinos and Luís Mafra
2023, Journal of the Americam Chemical Society.
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Understanding CO2 adsorption mechanisms in porous adsorbents: A solid-state NMR survey
Daniel Pereira, Rita Fonseca, Ildefonso Marin-Montesinos, Mariana Sardo, Luís Mafra
2023, Current Opinion in Colloid & Interface Science, 60, Special issue NMR 2022.
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Engineering Phosphatidylinositol-4,5-bisphosphate model membranes enriched 1 in endocytic cargo: a neutron reflectometry, AFM and QCM-D structural study
Daniel Pereira, Andreas Santamaria, Nisha Pawar, Javier Carrascosa-Tejedor, Mariana Sardo, Luis Mafra, Eduardo Guzman, David J. Owen, Nathan R. Zaccai, Armando Maestro, Ildefonso Marin-Montesinos
2023, Colloids and Surfaces B: Biointerfaces, 227.
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One-Shot Resin 3D-Printed Stators for Low-Cost Fabrication of Magic-Angle Spinning NMR Probeheads
Daniel Pereira, Mariana Sardo, Ildefonso Marín-Montesinos, an Luís Mafra
2023, Anal. Chem., 95, 27.
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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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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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