Raloxifene and arzoxifene are benzothiophene selective estrogen receptor modulators (SERMs) of clinical use in postmenopausal osteoporosis and treatment of breast cancer and potentially in hormone replacement therapy. The benefits of arzoxifene are attributed to improved bioavailability over raloxifene, whereas the arzoxifene metabolite, desmethylarzoxifene (DMA) is a more potent antiestrogen. ...

Three distinct procedures for obtaining the effective Gibbs energies of activation from computed a reaction involving multiple reactant-state (RS) and transition-state (TS) conformers are shown to be equivalent. If Boltzmann-weighted average RS TS evaluated, then energy contribution entropy mixing both must also included in order obtain correct value activation. Application solvolytic 4,4′-dime...

The ability for density functional theory with the B3LYP lanl2dz basis set to predict 1st (Wave 1) and 2nd 2) reductions of diazine ring in a series thirty-seven (37) 1,4-di-N-oxide quinoxaline-2-carboxamide derivatives dimethylformamide was examined. B3LYP/lanl2dz method had strong correlation low experimental potentials Wave 1 2, respectively. There are nine identifiable analogs based on simi...

Este ensaio busca analisar as masculinidades dos personagens detetivescos na ficção policial. Partindo do personagem Dupin, o detetive racional de Edgar Allan Poe, e passando por Philip Marlowe Sam Spade, os detetives “durões” Raymond Chandler Dashiell Hammett, respectivamente, pretendo me ater ao Espinosa, Luiz Alfredo Garcia-Roza, selecionando para análise romance O silêncio da chuva. Alio-me...

A series of paddlewheel diruthenium(ii, ii) complexes with various fluorine-substituted benzoate ligands were isolated as THF adducts and structurally characterized: [Ru(2)(F(x)PhCO(2))(4)(THF)(2)] (F(x)PhCO(2)(-) = o-fluorobenzoate, o-F; m-fluorobenzoate, m-F; p-fluorobenzoate, p-F; 2,6-difluorobenzoate, 2,6-F(2); 3,4-difluorobenzoate, 3,4-F(2); 3,5-difluorobenzoate, 3,5-F(2); 2,3,4-trifluorob...

Evaluation of a new proton sponge, bis-1,1,8,8-(tetramethylguanidino)naphtalene (TMGN), in substituted phenols O-alkylation by methyl iodide in DMF has been studied. Kinetic measurements were performed in N,N-dimethylformamide-d7 and followed by H NMR using stoichiometric amounts of reagents. Plot of the results shows that the reaction follows an almost perfect second order rate law. However th...

Acid dissociation constant (pKa) of some para-substituted benzohydroxamic, 4-XC6H4CONHOH, and N-methyl parasubstituted benzohydroxamic acids, 4XC6H4CON(OH)CH3, where X = H, CH3, CH3O, NO2, Cl, have been determined spectrophotometrically by nucleophilic substitution reactions of pnitrophenyl acetate with hydroxamate ions at 27± 0.1C. All reactions in this study follow pseudo-first order kinetics...

The paper is an overview of the application of the concept of linear free energy relationships (LFER), most notably through the Hammett equation, to investigations of reversible organic electrochemical reactions in aprotic solvents. In sequence the following topics are covered: the effect of solvent properties on the equilibrium, ion pairing effects, the direct application of Hammett's equation...