2002 - Instituto de Química - USP

Paulo Roberto OlivatoLABORATÓRIO DE ANÁLISECONFORMACIONAL E ESTUDO DEINTERAÇÕES ELETRÔNICASDESCRIÇÃO DAS ATIVIDADES DO GRUPOO objetivo principal das pesquisas emdesenvolvimento no grupo é de elucidar as basesestereo-eletrônicas do equilíbrio conformacional dealguns compostos carbonílicos-, fosforílicos-, oximasalpha-tio-,alpha-hetero-substituídos e antibióticosbeta-lactâmicos através das espectrometrias:Infravermelho, Ressonância Magnética Nuclear,Ultravioleta, Fotoeletrônica e de Transmissão deElétrons, apoiadas por cálculos teóricos. O estudomecanístico das reacões de Perkow, Michaelis-Arbuzov e de Baeyer-Villiger de compostoscarbonílicos com nucleófilos, encontra-se emandamento. O estudo qualitativo da citotoxicidadede beta-cetossulfóxidos e beta-cetossulfonas emrelação a algumas linhagens de células tumoraistambém fazem parte dos estudos do grupo.SummaryThe main scope of our research group is to elucidatethe stereo-electronic basis of the conformationalequilibrium of some alpha-heterosubstituted-carbonyl,-phosphoryl compounds, selected oximes andbeta lactamic antibiotics by means of Infrared, NuclearMagnetic Resonance, Ultraviolet and Electron Spectroscopies,supported by theoretical calculations (abinitioand semi-empirical). The mechanistic and syntheticstudies on some alpha-[diethoxyphosphoryl],alpha-[thio]-acetophenones and their correspondingenolphosphates obtained through the Perkow andMichaelis-Arbuzov reactions; and on some phenylalpha-alkylsulfonyl acetates obtained by the Baeyer-Villiger oxidative rearrangement, are in progress. Thequalitative study of the relationship between structureand citotoxicity of some beta-ketosulfoxides andbeta-ketosulfones against Ehrlich tumor and humanerythroleukemia cells (K562) is also in progress.Publicações Recentes Selecionadas:P.R.OLIVATO, A.K.C.A.REIS, R.RUIZ FILHO, M. DAL COLLE, andG.DISTEFANO (2002). Conformational and electronic interaction studiesof some alpha-ethylsulfinyl-p-substituted acetophenones. J.Mol.Struct.(Theochem.), 577, 177-186.P.R.OLIVATO, S.A.GUERRERO, M.H.YREIJO, R.RITTNER, and C.F.TORMENA(2002). Conformational and electronic interaction studies of 2-fluorosubstitutedN,N-dimethylacetamides. J. Mol. Struc., 607(2-3), 87-99.P.R.OLIVATO, M.H.YREIJO, E.ANDRADE, A.RODRIGUES, J.ZUKERMAN-SCHPECTOR, G.DISTEFANO, and M.DAL COLLE (2002). Spectroscopicand theoretical studies of some alpha-ethylsulfinyl o-substitutedacetophenones. J. Mol. Struct. (Theochem.), 618, 245-257.P.R.OLIVATO, R.RUIZ FILHO, J.ZUKERMAN-SCHPECTOR, M.DAL COLLE,and G.DISTEFANO (2001). “Comparative spectroscopic and theoreticalstudies on the confoormation of some some alfa-diethoxyphosphorylcarbonyl compounds and their some alfa-ethylsulfonyl analogues”, J.Chem. Soc. Perkin Trans. 2, 97-102.Instituto de Química - Pesquisa 2001 - 2002 82 Departamento de Química Fundamental