In this study, a systematic DFT study is performed to explore the potential application of B 36
N 36 fullerene as a delivery agent for the hydroxyurea (CH 4 N 2 O 2) and nitrosourea (CH 3 …

In the present study, the targeted drug-carrying and detecting properties of the carmustine
anticancer drug by pure B 3 O 3 sheet have been explored with the help of periodic density …

In this study, the capability of pristine and Al-doped BN nanocages (B12N12 and AlB11N12)
as sensor and adsorbent for the detection and removal of cefalexin antibiotic as an …

The mercaptopurine (MP) molecule's interaction with the pristine covalent triazine-based
framework (CTF) was evaluated in the gas and the water medium. The S1 structure is the …

In the realm of drug design, achieving precise and effective drug delivery poses a significant
challenge. In this computational study, we explore the capacity of pristine C 24 nanocages …

In view of the intensifying research to study the comparative proficiency of innocuous and
bioavailable nanomaterials concordance with human systems for drug conveyance, this …

Predicting adsorption behavior of the Triacanthine (TRC) anticancer drug on the surface of B
12 N 12 nano-cage was investigated using DFT and TD-DFT methods by B3LYP/6-311+ G …

In this chapter, we presented an analysis of the recent advances in the applications of boron
clusters in biomedical fields such as the development of biosensors and drug delivery …

Herein our study, analysis on the adsorption of VX nerve agent on to X12Y12 (Al12N12,
Al12P12, C12Si12 and Mg12O12) nanocages is done using density functional theory (DFT) …

By the importance of developing novel drug delivery platforms, the current research work
was done to assess the metronidazole (MET) adsorption by an iron-enhanced nanocone …