Projects
Benchmarking cloud computing for large scale computer-aided engineering of dyes for dye-sensitized solar cells (AWS Cloud - Proof of Concept)
Local CoordinatorOther International
eDYE - Engineering Dyes for Dye-Sensitized Solar Cells (IF/00973/2014)
CoordinatorFundação para a Ciência e a Tecnologia
computational material science;redox-active ligands;photoactivity;aromatic macrocycles;cheap clean energyIonic liquid-based supports for pre-miRNAs purification targeting Alzheimers disease (PUREmiRSILs)
PartnerFundação para a Ciência e a Tecnologia
Modeling the synthesis of SILica materials VIA multiscale computer simulations (SILVIA)
PartnerFundação para a Ciência e a Tecnologia
Polymorphism 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 polarizationPublications
Functionalized Porphyrins as Red Fluorescent Probes for Metal Cations: Spectroscopic, MALDI-TOF Spectrometry, and Doped-Polymer Studies
Moura, NMM; Nunez, C; Santos, SM; Faustino, MAF; Cavaleiro, JAS; Neves, MGPMS; Capelo, JL; Lodeiro, C
2013, CHEMPLUSCHEM, 78, 10, 1230-1243.
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Synthesis of porphyrin indolin-2-one conjugates via palladium-catalyzed amination reactions
Menezes, JCJMDS; Pereira, AMVM; Neves, MGPMS; Silva, AMS; Santos, SM; Martinez, ST; Silva, BV; Pinto, AC; Cavaleiro, JAS
2012, TETRAHEDRON, 68, 39, 8330-8339.
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Packing Interactions in Hydrated and Anhydrous Forms of the Antibiotic Ciprofloxacin: a Solid-State NMR, X-ray Diffraction, and Computer Simulation Study
Mafra, L; Santos, SM; Siegel, R; Alves, I; Paz, FAA; Dudenko, D; Spiess, HW
2012, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 134, 1, 71-74.
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Combining Multinuclear High-Resolution Solid-State MAS NMR and Computational Methods for Resonance Assignment of Glutathione Tripeptide
Sardo, M; Siegel, R; Santos, SM; Rocha, J; Gomes, JRB; Mafra, L
2012, JOURNAL OF PHYSICAL CHEMISTRY A, 116, 25, 6711-6719.
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Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media
Evans, NH; Allinson, ESH; Lankshear, MD; Ng, KY; Cowley, AR; Serpell, CJ; Santos, SM; Costa, PJ; Felix, V; Beer, PD
2011, RSC ADVANCES, 1, 6, 995-1003.
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Molecular Dynamics Study of a Heteroditopic-Calix[4]diquinone-Assisted Transfer of KCl and Dopamine Through a Water-Chloroform Liquid-Liquid Interface
Santos, SM; Costa, PJ; Lankshear, MD; Beer, PD; Felix, V
2010, JOURNAL OF PHYSICAL CHEMISTRY B, 114, 34, 11173-11180.
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Interlocked Host Anion Recognition by an Indolocarbazole-Containing [2]Rotaxane
Brown, A; Mullen, KM; Ryu, J; Chmielewski, MJ; Santos, SM; Felix, V; Thompson, AL; Warren, JE; Pascu, SI; Beer, PD
2009, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131, 13, 4937-4952.
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Sulfate anion templation of a neutral pseudorotaxane assembly using an indolocarbazole threading component
Chmielewski, MJ; Zhao, LY; Brown, A; Curiel, D; Sambrook, MR; Thompson, AL; Santos, SM; Felix, V; Davis, JJ; Beer, PD
2008, CHEMICAL COMMUNICATIONS, 27, 3154-3156.
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Sulfate anion-templated assembly of a [2]catenane
Huang, BQ; Santos, SM; Felix, V; Beer, PD
2008, CHEMICAL COMMUNICATIONS, 38, 4610-4612.
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Cooperative AND ion-pair recognition by heteroditopic calix[4]diquinone receptors
Lankshear, MD; Dudley, IM; Chan, KM; Cowley, AR; Santos, SM; Fejix, V; Beer, PD
2008, CHEMISTRY-A EUROPEAN JOURNAL, 14, 7, 2248-2263.
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