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DEQ

Departamento de Engenharia Química da FCTUC

Pedro Simões

Name
Position
Qualifications
Pedro Nuno NL Simões

Pedro Nuno Neves Lopes Simões

Assistant Professor

PhD in Chemical Engineering, University of Coimbra, 2001

Evaluation of Pedagogic Readiness and Cientific Ability, University of Coimbra, 1996

Diploma in Chemical Engineering, University of Coimbra, 1989  

E-mail address
pnsim@eq.uc.pt
Telephone
+351-239798732
Teaching activities

Applied Computing

Chemical Engineering of Molecular Basis

Chemical Reactors

Chemical Engineering Laboratories

Research group
Computation, Statistics and Materials (CEM)
Research interests

Molecular modeling and simulation applied to Product Engineering

Computational studies of nanostructured materials

High performance computational architectures dedicated to computational chemistry software

Thermal analysis of materials

Funded research projects

"PolyFenton" - QREN 33995 - FEDER -COMPETE -IAPMEI/ADI, in cooperation with VentilAQUA S.A. (Principal investigator of UC team).

“Development of new polymer-liposome complexes combining experimental and computational approaches”, funded by the Portuguese Foundation for Science and Technology (FCT), 2010-2012. (Principal investigator).

"MANANO - Manufacturing and applications of nanostructured materials'' - FP7-PEOPLE-2010-ITN, 2011-2015 (PhD co-supervisor).

“GelSpace - Silica Based Aerogels for Insulation of Spatial Devices”, funded by the Portuguese Foundation for Science and Technology (FCT), 2011-2013 (Research team member)

“Development of stable heterogeneous systems for single electron transfer living radical polymerization methods - STABLESET”, funded by the Portuguese Foundation for Science and Technology (FCT), 2011-2013 (Research team member).

Key publications

Fonseca, A. C., Gil, M. H., & Simões, P. N. (2013). Biodegradable poly(ester amide)s - A remarkable opportunity for the biomedical area: Review on the synthesis, characterization and applications. Progress in Polymer Science. http://dx.doi.org/10.1016/j.progpolymsci.2013.11.007 (In Press)

Ferreira, A.F.; Lopes, R.; Simões, P. N., "In silico research in drug delivery systems", Advances in PPPM - Drug Delivery Systems: Advanced technologies potentially applicable in personalized medicine 2013, J. Coelho (ed.), Springer-Verlag. ISBN 978-94-007-6009-7.

A.F. Ferreira, P.J. Alves, J.F. Coelho, M.H. Gil, P. N. Simões, "Molecular dynamics study of oligomer-membrane complexes with biomedical relevance", in "Characterization and Development of Biosystems and Biomaterials", A. Ochsner; C. Baumann, B. Feuchter (eds.), Springer-Verlag, 2013, ISBN 978-3-642-31469-8.

Alves, P., Hugo, A. A., Tymczyszyn, E. E., Ferreira, A. F., Fausto, R., Pérez, P. F., … Gómez-Zavaglia, A. (2013). Effect of cholesterol-poly(N,N-dimethylaminoethyl methacrylate) on the properties of stimuli-responsive polymer liposome complexes. Colloids and Surfaces B: Biointerfaces, 104, 254–261.

Ferreira, A. G. M., Simões, P. N., Ferreira, A. F., Fonseca, M. A., Oliveira, M. S. A., & Trino, A. S. M. (2013). Transport and thermal properties of quaternary phosphonium ionic liquids and IoNanofluids. Journal of Chemical Thermodynamics, 64, 80–92.

Fonseca, A. C., Coelho, J. F. J., Valente, J. F. A., Correia, T. R., Correia, I. J., Gil, M. H., & Simões, P. N. (2013). Poly(ester amide)s based on (L)-lactic acid oligomers and α-amino acids: Influence of the α-amino acid side chain in the poly(ester amide)s properties. Journal of Biomaterials Science, Polymer Edition, 24(12), 1391–1409.

Fonseca, A. C., Serra, A. C., Coelho, J. F. J., Gil, M. H., & Simões, P. N. (2013). Novel poly(ester amide)s from glycine and L-lactic acid by an easy and cost-effective synthesis. Polymer International, 62(5), 736–743.

Botequim, D., Maia, J., Lino, M. M. F., Lopes, L. M. F., Simões, P. N., Ilharco, L. M., & Ferreira, L. (2012). Nanoparticles and surfaces presenting antifungal, antibacterial and antiviral properties. Langmuir, 28(20), 7646–7656.

Jarmelo, S., Marques, D.A.S., Simões, P.N., Carvalho, R.A., Batista, C.M.S.G., Araujo-Andrade, C., Gil, M.H. & Fausto, R. (2012). Experimental (IR/Raman and 1H/ 13C NMR) and theoretical (DFT) studies of the preferential conformations adopted by l -lactic acid oligomers and Poly(l -lactic acid) homopolymer. Journal of Physical Chemistry B, 116(1), 9–21.

Fonseca, A. C., Jarmelo, S., Carvalho, R. A., Fausto, R., Gil, M. H., & Simões, P. N. (2010). 1H NMR spectroscopic and quantum chemical studies on a poly(ester amide) model compound: Nalpha-benzoyl-L-argininate ethyl ester chloride. Structural preferences for the isolated molecule and in solution. The Journal of Physical Chemistry. B, 114(18), 6156–64.

Theses supervision

A.C. Fonseca (2013). "Synthesis of Copolymers based on α-Hydroxy Acids and α-Amino Acids", PhD thesis. University of Coimbra. Co-supervison with M.H. Gil.

André Ferreira (ongoing). Nanoscale investigation of noble metal nanoparticles functionalized with antimicrobial peptides. PhD thesis. University of Coimbra.

Mauro Almangano (ongoing). Multiscale Simulation of Silica based Aerogels. MANANO PROJECT funded under 7th FWP - University of Coimbra. Co-supervison with A.A.T.G. Portugal.

Ana Daniela Curioso Cação (2013). Development of new L-lactic acid copolymers: studies on the structure/properties relationship. Master thesis. Department of Chemical Engineering, University of Coimbra.Co-supervison with J.F. Coelho and A.C. Fonseca.

André Ferreira (2010). Molecular Dynamics simulation of the interaction between arginine, an arginine derivative, and lipidic membranes. Master thesis. Department of Chemical Engineering, University of Coimbra.

Other information
ORCID ID: 0000-0002-5068-950X