Ongoing Supervisions
Ana Teresa Abreu Poças
PhD Student
Andrea Chacón Calderón
PhD Student
Daniel António Cunha Pereira
PhD Student
Guilherme Brígido Rosa
PhD Student
Márcio Miguel da Silva Soares
PhD Student
Pedro Ouro
PhD StudentProjects
A Pan-European Solid-State NMR Infrastructure for Chemistry-Enabling Access (PANACEA)
Local CoordinatorEuropean 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)
PartnerFundação para a Ciência e a Tecnologia
Captura de CO2; Silicatos de lítio; Propriedades sorventes; RMN do estado sólidoDelivery vehicles of therapeutic gasotransmitters NO and H2S based on nanoporous materials (PTDC/MED-QUI/28721/2017)
PartnerFundação 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)
PartnerFundação para a Ciência e a Tecnologia
Polymorphism in pharmaceuticals: new insights from NMR Crystallography (EXPL/QEQ-QFI/2078/2013)
CoordinatorFundação para a Ciência e a Tecnologia
Solid-state NMR spectroscopy Polymorphism in active pharmaceutical ingredients NMR Crystallography Dynamic nuclear polarizationSupported Covalent Organic Frameworks for the Monitoring of Pharmaceutical Pollutants (Charm)
PartnerFundação para a Ciência e a Tecnologia
Unveiling CO2 chemisorption mechanisms in solid adsorbents via surface-enhanced ex(in)-situ NMR (NMR4CO2)
PartnerEuropean 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...Publications
Hydrogen bonding networks in gabapentin protic pharmaceutical salts: NMR and in silico studies
Martins, ICB; Sardo, M; Cendak, T; Gomes, JRB; Rocha, J; Duarte, MT; Mafra, L
2019, MAGNETIC RESONANCE IN CHEMISTRY, 57, 5, 243-255.
ISBN:
1097-458X
H-1-P-31 HETCOR NMR elucidates the nature of acid sites in zeolite HZSM-5 probed with trimethylphosphine oxide
Bornes, C; Sardo, M; Lin, Z; Amelse, J; Fernandes, A; Ribeiro, MF; Geraldes, C; Rocha, J; Mafra, L
2019, CHEMICAL COMMUNICATIONS, 55, 84, 12635-12638.
ISBN:
1364-548X
Revisiting the crystal structure of dickite: X-ray diffraction, solid-state NMR, and DFT calculations study
Rocha, J; Paz, FAA; Sardo, M; Mafra, L
2018, AMERICAN MINERALOGIST, 103, 5, 812-818.
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 Density
Cendak, T; Sequeira, L; Sardo, M; Valente, A; Pinto, ML; Mafra, L
2018, CHEMISTRY-A EUROPEAN JOURNAL, 24, 40, 10136-10145.
Microwave-assisted N,N-dialkylation of amine-functionalized periodic mesoporous phenylene-silica: An easy and fast way to design materials
Lourenco, MAO; Ferreira, MJG; Sardo, M; Mafra, L; Gomes, JRB; Ferreira, P
2017, MICROPOROUS AND MESOPOROUS MATERIALS, 249, 10-15.
ISBN:
1873-3093
Comparison of different silica microporous structures as drug delivery systems for in vitro models of solid tumors
Vilaca, N; Machado, AF; Morais-Santos, F; Amorim, R; Neto, AP; Logodin, E; Pereira, MFR; Sardo, M; Rocha, J; Parpot, P; Fonseca, AM; Baltazar, F; Neves, IC
2017, RSC ADVANCES, 7, 22, 13104-13111.
Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR
Martins, ICB; Sardo, M; Santos, SM; Femandes, A; Antunes, A; Andre, V; Mafra, L; Duarte, MT
2016, CRYSTAL GROWTH & DESIGN, 16, 1, 154-166.
Interaction of CO2 and CH4 with Functionalized Periodic Mesoporous Phenylene-Silica: Periodic DFT Calculations and Gas Adsorption Measurements
Lourenco, 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.
Diazole-based powdered cocrystal featuring a helical hydrogen-bonded network: Structure determination from PXRD, solid-state NMR and computer modeling
Sardo, M; Santos, SM; Babaryk, AA; Lopez, C; Alkorta, I; Elguero, J; Claramunt, RM; Mafra, L
2015, SOLID STATE NUCLEAR MAGNETIC RESONANCE, 65, 49-63.
X-ray and NMR Crystallography Studies of Novel Theophylline Cocrystals Prepared by Liquid Assisted Grinding
Fernandes, JA; Sardo, M; Mafra, L; Choquesillo-Lazarte, D; Masciocchi, N
2015, CRYSTAL GROWTH & DESIGN, 15, 8, 3674-3683.
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: application to small molecule pharmaceutics
In Yuriy A. Abramov (Eds.), Computational Approaches in Pharmaceutical Solid State Chemistry
Luis Mafra, Sérgio Santos, Mariana Sardo, Heather Schmidt
2016, 287-329, John Wiley & Sons, Inc..
ISBN:
9781118700686
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