Density functional theory calculations were performed to support the experimental findings by elucidating the ground-state electronic structure and transitions, with particular emphasis on interactions between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO).
Nitika, Anshul Sharma, M. M. Pandey et al.· RSC Advances· 0 citations
Background: Taxanes have been a cornerstone in the management of a wide range of cancers, including ovarian, breast, and lung cancer, owing to their microtubule-stabilizing mechanism. Despite their clinical success, their therapeutic utility remains constrained by poor aqueous solubility, a need for toxic solubilizing...