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Study of the adsorption and electroreduction behavior of cefpodoxime   proxetil, cefotaxime, desacetylcefotaxime, cefetamet, ceftriaxone,   ceftazidime, and cefuroxime axetile at the mercury electrode surface has been   performed using Cyclic (CV), Differential Pulse (DPV), and Adsorptive   Stripping Differential Pulse Voltammetry (AdSDPV). The Quantitative Structure   Property Relationship (QSPR) study of the seven cephalosporins adsorption at   the mercury electrode has been based on the density functional theory   DFT-B3LYP/6-31G (d,p) calculations of molecular orbitals, partial charges and   electron densities of analytes. The DFT-parameters and QSPR model explain   well the process of adsorption of the examined cephalosporins. QSPR study   defined that cefalosporins with lower charge of sulphur in the thiazine   moiety, lower electron density on the nitrogen atom of the N-O bond, higher   number of hydrogen bond accepting groups, and higher principal moment of   inertia should express high adsorption on the mercury electrode. [Projekat   Ministarstva nauke Republike Srbije, br. 172033

Voltammetric and theoretical studies of electrochemical behavior of cephalosporins at the mercury electrode