The neutral hydrolysis of formamide in water is a suitable reference to quantify the efficiency
of proteolytic enzymes. However, experimental data for this reaction has only very recently …

Herein we present an overview of the theoretical studies on the cleavage of the β-lactam CN
bond in aqueous solution and in enzymatic media. We discuss first the alkaline hydrolysis of …

The presence of antibiotic residues in milk has been one of the biggest challenges for public
health agencies. When these residues are above the established maximum limits, it …

A comprehensive study of Schiff base formation of vitamin B6 analogues by using DFT
calculations (B3LYP/6-31+ G*) and a study of the topology of the density charge function of …

The effect of an ancillary water molecule on the neutral and alkaline hydrolysis mechanisms
of a simple β-lactam molecule (N-methylazetidinone) has been studied at the Hartree− Fock …

SUMMARY A complete study of the alkaline and acidic hydrolysis of the β-lactam ring of
azetidin-2-one was carried out using ab initio molecular orbital calculations at the RHF/6 …

The Paal–Knorr pyrrole synthesis, which involves the reaction of 1, 4-dicarbonyls with
amines, is among the most classical methods of heterocyclic pyrrole ring synthesis. The …

In the present study, we have modelled the nucleophilic attack of water and a hydroxyl anion
on the carbonyl carbon of a succinimide derivative leading to aspartate and aspartic acid …

In this work we present a theoretical study of neutral and alkaline hydrolyses of N-
methylazetidinone as a model of biological hydrolysis of β-lactam antibiotics. Calculations …

A comprehensive study of Schiff base formation of vitamin b6 analogues in gas-phase and
water solvation environment is carried out using semiempirical (PM3) quantum mechanics …