USP
Universidade de São Paulo

João Pedro Simon Farah

Professor Doutor - Departamento de Química Fundamental
LABORATÓRIO DE FÍSICOQUÍMICA ORGÂNICA
3091-9118 
 jpsfarah@iq.usp.br

Resumo

Estudo de mecanismos de reações orgânicas em soluções micelares e misturas de solventes utilizando técnicas de modelagem molecular; Estudos de partição em sistemas bifásicos e em meio micelar aquoso utilizando descritores moleculares teóricos em Linear Solvation Energy Relationships (LSER), Quantitative Structure Retention Relationships (QSRR) e Dinâmica Molecular.

 

Summary

Organic reaction mechanism studies in micellar solutions and solvent mixtures using molecular modeling techniques; Two phase system partition and micellar solubilization studies using theoretical molecular descriptors in Linear Solvation Energy Relationships (LSER), Quantitative Structure Retention Relationships (QSRR)and Molecular Dynamics.

 

Produção científica:

Curriculo (Sistema Lattes - CNPq)

Curriculo (Sistema Researcher ID)

 

1. SILVA, CA ; PEREIRA, E. A. ; MICKE, G. A. ; FARAH, J. P. S. ; TAVARES, M. M. F. . Mixture-designed electrolytes for the MEKC separation of natural and synthetic steroids. Electrophoresis, v. 28, p. 3722-3730, 2007.

2. BARROS, T. C. ; CUCCOVIA, I. M. ; FARAH, J. P. S. ; MASINI, J. C. ; H. Chaimovich ; POLITI M. J. . Mechanism of 1,4,5,8-naphthalene tetracarboxylic acid dianhydride hydrolysis and formation in aqueous solution. Organic and Biomolecular Chemistry, v. 4, p. 71-82, 2006.

3. FARAH, J. P. S. ; MICKE, G. A. ; TAVARES, M. M. F. ; Tonin, F G ; Jager, A V . Optimization of the separation of flavonoids using solvent-modified micellar electrokinetic chromatography. Electrophoresis, EUA, v. 26, p. 3387-3396, 2005. 

4. Shimizu, K; Chaimovich, H; Farah, JPS; Dias, LG; Bostick,; "Calculation of the dipole moment for polypeptides using the generalized Born-Electronegativity Equalization method: Results in vacuum and continuum-dielectric solvent" J. Phys. Chem. B 2004,108, 4171.

5. Belarmino, ATN; Froehner, S; Zanette, D; Farah, JPS; Bunton, CA; Romsted, LS; "Effect of alkyl group size on the mechanism of acid hydrolyses of benzaldehyde acetals" J. Org. Chem 2003, 68, 706.