Penicillamine functionalized B12N12 and B12CaN12 nanocages act as potential inhibitors of proinflammatory cytokines: A combined DFT analysis, ADMET and molecular docking study
Sign Up to like & getrecommendations! Published in 2021 at "Arabian Journal of Chemistry"
DOI: 10.1016/j.arabjc.2021.103200
Abstract: Abstract The adsorption of penicillamine (PCA) on pure B12N12 and B12CaN12 nanocages in aqueous and chloroform solvents has been evaluated using density functional theory (DFT) calculations. The interaction of PCA on B12N12 nanocages is chemisorption… read more here.
Keywords: pca; molecular docking; b12n12; b12can12 nanocages ... See more keywords
DFT Study to Reduce TCDD by B12N12 Nano-Cage: A Comparison of Calculating Spectroscopic Properties with NMR and NBO
Sign Up to like & getrecommendations! Published in 2018 at "Polycyclic Aromatic Compounds"
DOI: 10.1080/10406638.2016.1238399
Abstract: ABSTRACT According to human studies, one of the most hazardous chlorinated organic compounds is tetrachlorodibenzodioxin (TCDD). These studies have found an association between TCDD and lung cancer, soft-tissue sarcomas, lymphomas, stomach carcinomas, and so on.… read more here.
Keywords: b12n12; study reduce; tcdd; dft study ... See more keywords