Sérgio Miguel Fernandes dos Santos
  Auxiliary Researcher  
   
  phone: 234 401 419  
  extension: 24 919  
  e-mail: sergio.santos@ua.pt  
  department: Chemistry  
  office: 29.3.32  
   
  group: 6 - computer simulation and multiscale modeling
  
  direct url: http://www.ciceco.ua.pt/sergiosantos  
   
Latest News


ongoing scientific supervisions


Projects
Group6 Icon Group5 Icon Ionic liquid-based supports for pre-miRNAs purification targeting Alzheimer's disease (PUREmiRSILs)
Group6 Icon Modeling the synthesis of SILica materials VIA multiscale computer simulations (SILVIA)
Group6 Icon Benchmarking cloud computing for large scale computer-aided engineering of dyes for dye-sensitized solar cells (AWS Cloud - Proof of Concept)
Group6 Icon eDYE - Engineering Dyes for Dye-Sensitized Solar Cells (IF/00973/2014)
Group6 Icon Group1 Icon Polymorphism in pharmaceuticals: new insights from NMR Crystallography (EXPL/QEQ-QFI/2078/2013)


publications
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.
CICECO Authorship
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.
CICECO Authorship
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.
CICECO Authorship
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.
CICECO Authorship
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.
CICECO Authorship
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.
CICECO Authorship
Sulfate anion-templated assembly of a [2]catenane
Huang, BQ; Santos, SM; Felix, V; Beer, PD
2008, CHEMICAL COMMUNICATIONS, 38, 4610-4612.
CICECO Authorship
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.
CICECO Authorship
Anion induced and inhibited circumrotation of a [2]catenane
Ng, KY; Felix, V; Santos, SM; Rees, NH; Beer, PD
2008, CHEMICAL COMMUNICATIONS, 11, 1281-1283.
CICECO Authorship

 
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