Paulo Jorge Ferreira de Matos Costa

Post-doc Fellowship

Short CV

2007-present – Post-doc research fellow at the Department of Chemistry, University of Aveiro, in the Molecular Modeling group
Feb 2007 – PhD in Chemistry (Inorganic Chemistry) at the University of Lisbon (UL)
2003 – BSc (“Licenciatura”) in Chemistry at the Faculty of Sciences, University of Lisbon (FCUL)

Scientific Interests

Diffusion of drug-delivery systems across cellular membrane models
Molecular recognition of anions and cations by synthetic receptors and calculation of binding free energies
Study of reaction mechanisms in inorganic and organometallic chemistry using DFT or ab initio calculations
Calculation and interpretation of electronic spectra of transition metal complexes by means of TD-DFT

Present Research Group

Selected Publications

See my ResearcherID page
- Sérgio M. Santos, Paulo J. Costa, Michael D. Lankshear, Paul D. Beer, Vítor Félix, “Molecular Dynamics Study of a Heteroditopic-Calix[4]diquinone-Assisted Transfer of KCl and Dopamine Through a Water−Chloroform Liquid−Liquid Interface” J. Phys. Chem. B 114, 11173–11180 (2010) LINK
- Christopher J. Serpell, Nathan L. Kilah, Paulo J. Costa, Vítor Félix, Paul D. Beer, “Halogen Bond Anion Templated Assembly of Imidazolium Pseudorotaxanes” Angew. Chem. Int. Ed. 49, 5322-5326 (2010) LINK
- Rita Delgado, Judite Costa, Xiuling Cui, Michael G. B. Drew, Paulo J. Costa, Vítor Félix, “Rigid Ferrocenophane and its Metal Complexes with Transition and Alkaline-earth Metal Ions” Polyhedron 29, 1697-1705 (2010) LINK
- Paulo J. Costa, Maria José Calhorda, Fritz E. Kühn, “Olefin Epoxidation catalyzed by η5-Cyclopentadienyl Molybdenum Compounds: a computational study” Organometallics 29, 303-311 (2010) LINK
- Yitong Li, Kathleen M. Mullen, Tim Claridge, Paulo J. Costa, Vitor Felix, Paul D. Beer, “Sulfate anion templated synthesis of a triply interlocked capsule” Chem. Comm. 7134-7136 (2009). LINK
- Rita G. de Noronha, Paulo Jorge Costa, Carlos C. Romão, Maria José Calhorda, Ana C. Fernandes, “MoO2Cl2 as a novel catalyst for C-P bond formation and for hydrophosphonylation of aldehydes”, Organometallics 28, 6206-6212 (2009). LINK
- Leandro M.O. Lourenço, João P.C. Tomé, Maria R.M. Domingues, P. Domingues, P. J. Costa, Vítor Félix, Maria G.P.M.S. Neves, José A.S. Cavaleiro, “Synthesis and differentiation of α- and β-glycoporphyrin stereoisomers by electrospray tandem mass spectrometry”, Rapid. Commun. Mass Spectrom. 23, 3478-3483 (2009). LINK
- Maria José Calhorda, Paulo J. Costa, “Expanding the role of oxomolybdenum(VI) catalysts: a DFT interpretation of X-H activation leading to reduction or oxidation”, Dalton Trans., 8155-8161 (2009). LINK


Modulating the electron-transfer properties of a mixed-valence system through host-guest chemistry

Zubi, A; Wragg, A; Turega, S; Adams, H; Costa, PJ; Felix, V; Thomas, JA
2015, CHEMICAL SCIENCE, 6, 2, 1334-1340.

Interaction of a calix[4]arene derivative with a DOPC bilayer: Biomolecular simulations towards chloride transport

Costa, PJ; Marques, I; Felix, V

Tris-thiourea tripodal-based molecules as chloride transmembrane transporters: insights from molecular dynamics simulations

Marques, I; Colaco, AR; Costa, PJ; Busschaert, N; Gale, PA; Felix, V
2014, SOFT MATTER, 10, 20, 3608-3621.

A Catenane Assembled through a Single Charge-Assisted Halogen Bond

Gilday, LC; Lang, T; Caballero, A; Costa, PJ; Felix, V; Beer, PD

Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas

Moore, SJ; Haynes, CJE; Gonzalez, J; Sutton, JL; Brooks, SJ; Light, ME; Herniman, J; Langley, GJ; Soto-Cerrato, V; Perez-Tomas, R; Marques, I; Costa, PJ; Felix, V; Gale, PA
2013, CHEMICAL SCIENCE, 4, 1, 103-117.

Charge Parametrization of the DvH-c(3) Heme Group: Validation Using Constant-(pH,E) Molecular Dynamics Simulations

Henriques, J; Costa, PJ; Calhorda, MJ; Machuqueiro, M

Towards predictable transmembrane transport: QSAR analysis of anion binding and transport

Busschaert, N; Bradberry, SJ; Wenzel, M; Haynes, CJE; Hiscock, JR; Kirby, IL; Karagiannidis, LE; Moore, SJ; Wells, NJ; Herniman, J; Langley, GJ; Horton, PN; Light, ME; Marques, I; Costa, PJ; Felix, V; Frey, JG; Gale, PA
2013, CHEMICAL SCIENCE, 4, 8, 3036-3045.

Increased Halide Recognition Strength by Enhanced Intercomponent Preorganisation in Triazolium Containing [2] Rotaxanes

White, NG; Costa, PJ; Carvalho, S; Felix, V; Beer, PD
2013, CHEMISTRY-A EUROPEAN JOURNAL, 19, 52, 17751-17765.

Structural Studies on Dinuclear Ruthenium(II) Complexes That Bind Diastereoselectively to an Antiparallel Folded Human Telomere Sequence

Wilson, T; Costa, PJ; Felix, V; Williamson, MP; Thomas, JA
2013, JOURNAL OF MEDICINAL CHEMISTRY, 56, 21, 8674-8683.

Gas-phase interaction between nickel (II) and nitrobenzyl azides: An ESI-MSn study

Cunha, BMP; Trindade, IN; Couto, NAS; Costa, PJ; Rodrigues, P; Barros, MT; Costa, ML; Duarte, MF; Fernandez, MT; Madeira, PJA

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