Józef Mazurkiewicz

Effect of the external electric field on selected tripeptides

The effect of external electric field (EEF) of 5.14, 25.70, and 51.40 MV/cm upon Cys-Asn-Ser, Glu-Arg-Leu, Glu-Cys-Glc, Ser-Asp-Leu, Ser-Glu-Met tripeptide inner salts was simulated involving HyperChem 8.0 software together with the AM1 method for optimization of the molecules’ conformation. The reaction to EEF is diverse and specific to particular peptides. EEF stimulated an increase in the positive charge density on the hydrogen atoms of the N+H3, peptide bond NH, NH2, and COOH groups as well decrease in the negative charge density on the oxygen atoms of the peptide bond carbonyl groups. Thus, EEF could control behavior and action of tripeptides, such as an increase in their catalytic activity.

Effect of External Electric Field Upon Selected Model Dipeptides

Effect of external electric field (EEF) of 0.001, 0.005 and 0.01 a.u. upon molecular energy, charge distribution and dipole moments of non-dissociated and inner salt forms of selected dipeptides formed from alanine (Ala), glutamic acid (GluA), and ornithine (Orn) that is, Ala-Ala, Ala-GluA, GluA-Ala, Ala-Orn, Orn-Ala involving α-amino group of Orn and Orn-Ala involving δ-amino group of Orn. For that purpose HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecules in a computer vacuum.