Azuine MA et al (2004) Cancer chemo preventive effect of phenothiazines and related tri-heterocyclic derivatives in the 12-o-tetradecanoylphorbol-13-acetate promoted Epstein Barr virus early antigen activation and the mouse skin two-stage carcinogenesis models. Pharmacol Res 49:161–169. https://doi...
A high surface area AC was synthesized using groundnut shells as a cheap precursor after being subjected to pyrolysis and ZnCl2 activation. The generated AC was decorated by ceria with varying loading amounts to produce a nano-ceria decorated AC for the decolorization of MB-contaminated wastewater....
结合DFT计算和统计学校正方法用于准确计算化合物的物理化学性质-化学 化学信息学专业论文.docx,兰州大学2010硕士学位论文为0.29eV,数据的准确性有了大幅度的提高。说明LS.SVM对离子化的能校正 兰州大学2010硕士学位论文 为0.29eV,数据的准确性有了大幅度的提高。说明LS
In addition, DFT calculations clarified that the H2 dissociation is needs an activation energy of 21.80 and 12.62 kcal/mol, respectively, on the Mo- and S-edge of decorated MoS2 clusters on the GO with 50% coverage. It was also found that the HDS of DBT molecule could take place at the...
Formation of formic acid derivatives through activation and hydroboration of CO2 by Low-Valent Group 14 (Si, Ge, Sn, Pb) Catalysts. J. Phys. Chem. A 2020, 124, 1121–1133. [Google Scholar] [CrossRef] Trujillo, C.; Flood, A.; Sanchez-Sanz, G.; Twamley, B.; Rozas, I. Planarity ...
Table 3. Reaction Gibbs free energy (ΔrG, kcal/mol), Gibbs free energy of activation (ΔG≠, kcal/mol), reorganization energy (λ, kcal/mol), diffusion rate constant (kD, M−1 s−1), apparent rate constant (kapp, M−1 s−1), rate constant including molar fractions of radica...
The calculations were carried out using embedded atom method (EAM) potentials and density functional theory (DFT) and employed the site-occupation disorder code (SOD), the activation relaxation technique nouveau (ARTn) and the knowledge led master code (KLMC). We investigate stable structures and...
Structural and mechanistic insights into UHRF1-mediated DNMT1 activation in the maintenance DNA methylation. Nucleic Acids Res. 2018, 46, 3218–3231. [Google Scholar] [CrossRef] [Green Version] Schrödinger Maestro|Schrödinger. 2018. Available online: https://www.Schrödinger.com/materials-...
It facilitates platelet activation, adhesion, and aggregation, thereby contributing the clotting response [6,7,8]. Coxibs are widely used anti-inflammatory drugs and are renowned for their selective inhibition of COX-2. Surprisingly, it has been found that coxibs can tightly bind to COX-1 ...
The calculations were carried out using embedded atom method (EAM) potentials and density functional theory (DFT) and employed the site-occupation disorder code (SOD), the activation relaxation technique nouveau (ARTn) and the knowledge led master code (KLMC). We investigate stable structures and...