ski-2053r and nedaplatin

This study reports the optimized structures and lowest-energy conformations/stereochemistry of five currently used platinum-based drugs: cisplatin, carboplatin, nedaplatin, oxaliplatin, and heptaplatin. Normal Raman and IR spectra of each drug are experimentally obtained and have been compared to various levels of density functional theory (DFT). Although some combination of structure, reactivity, or spectroscopy for these drugs has been studied by various groups, there are no known experimental normal Raman and IR spectra for nedaplatin, oxaliplatin, and heptaplatin in the literature. The detailed structural and vibration findings of these drugs are very important to understanding platinum behavior and drug dynamics. The following work explores the vibrational frequencies of these drugs particularly by focusing on the low-energy modes between 200 and 600 cm

Topics: Antineoplastic Agents; Carboplatin; Cisplatin; Malonates; Models, Chemical; Molecular Conformation; Organoplatinum Compounds; Oxaliplatin; Platinum; Quantum Theory; Spectrophotometry, Infrared; Spectrum Analysis, Raman; Stereoisomerism; Vibration