Ab initio studies of the decomposition of nitrosourea in the presence of cations.
Self-consistent (Hartree-Fock) calculations of the process of decomposition of protonated and lithiated syn-N-nitrosourea show that the presence of cations perturbs the electron distribution significantly. The decomposition of nitrosourea is facilitated when a proton or lithium ion is positioned at the oxygen of the nitroso group. These results may suggest clinical experimentation with nitrosoureas used in conjunction with lithium salts.
Sapse
A M
AM
City University of New York, Graduate Center, New York 10019.
Allen
E B
EB
Fugler-Domenico
L
L
D004355:Drug Stability; D008094:Lithium; D009607:Nitrosourea Compounds; D011522:Protons
D009607:Nitrosourea Compounds; D011522:Protons; D008094:Lithium