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 intestinal oligopeptide transporter (OPT) mediates the absorption of di-/tripeptides, β-
lactam antibiotics, angiotensin converting enzyme (ACE) inhibitors and renin inhibitors. This …

We used semi‐empirical and ab initio calculations to investigate the nucleophilic attack of
the OH− ion on the β‐lactam carbonyl group. Both allowed us to detect reaction …

A comprehensive study of the alkaline hydrolysis of the β‐lactam ring of azetidin‐2‐one was
carried out using ab initio molecular‐orbital calculations at the RHF/6‐31+ G* level. The …

We used semiempirical and ab initio calculations to investigate the nucleophilic attack of the
hydroxyl ion on the β-lactam carbonyl group. Both allowed us to detect reaction …

A theoretical study of the gas-phase alkaline hydrolysis of penicillin G on the assumption of
a BAC2 mechanism is reported. Various semiempirical methods were used to determine the …

A theoretical study of the water‐assisted alkaline hydrolysis of 2‐azetidinone, 3‐formylamino‐
2‐azetidinone and 3‐formylamino‐2‐azetidine‐1‐sulfonate ion is carried out at the B3LYP/6 …

Semiempirical calculations (PM3) have been used to investigate the reaction mechanism
(BAC2) of the alkaline hydrolysis of N-methylazetidin-2-one. This mechanism involves the …

An amide bond in a four-membered ring is an interesting moiety in its own right, but
additionaly the ß-lactam ring is a key structural component of a major class of antibacterial …

The C1s spectra of β-lactam ie 2-azetidinone (C 3 H 5 NO), a drug and l-alanine (C 3 H 7
NO 2), an amino acid, exhibit striking similarities, which may be responsible for the …