title: Determination of the optimized individual kinetic constants of the aminolysis reaction in basic medium of beta-lactam antibiotics by a numerical computational method.
abstract: The individual kinetic constants of the aminolysis reaction in basic medium of several beta-lactam compounds (6-aminopenicillanic acid, carbenicillin, 7-aminocephalosporanic acid, and cephalothin) are determined and improved by application of a computational method KINBETA. The method uses a modified version of the AGDC optimization algorithm adapted to the reaction system. Initial estimates of the constants for this reaction, obtained from the conventional methodology reported in the literature, were used. The computational method applied is self-consistent and affords both a considerable saving in experimental time and more reliable and exact results.
authors.affiliation: Departamento de QUIMICA FISICA, Facultad de Ciencias Químicas, Universidad, Salamanca, Spain.
authors.forename: A
authors.initials: A
authors.lastname: Lujan
authors.forename: J L
authors.initials: JL
authors.lastname: Gonzalez
authors.forename: M M
authors.initials: MM
authors.lastname: Canedo
authors.forename: C
authors.initials: C
authors.lastname: Grande
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry*; D007700:Kinetics; D008433:Mathematics; D012984:Software; D047090:beta-Lactams
chemical_list: D000900:Anti-Bacterial Agents; D047090:beta-Lactams