Molecular docking as a promising predictive model for silver nanoparticle-mediated inhibition of cytochrome P450 enzymes
N Wasukan, M Kuno… - Journal of Chemical …, 2019 - ACS Publications
Cytochrome P450 (CYP) enzymes are responsible for oxidative metabolisms of a large
number of xenobiotics. In this study, we investigated interactions of silver nanoparticles …
number of xenobiotics. In this study, we investigated interactions of silver nanoparticles …
Gelation processes in an aqueous solution of l-cysteine/AgNO3 under the influence of metal salts with various valencies
YV Andrianova, DV Vishnevetskii, AI Ivanova… - Russian Chemical …, 2023 - Springer
Processes of self-organization and gelation in a low-concentration aqueous solution of l-
cysteine and silver nitrate were studied using singly, doubly, and triply charged metal …
cysteine and silver nitrate were studied using singly, doubly, and triply charged metal …
Hydrogen evolution reaction of Ben+ H2O (n= 5–9) based on density functional theory
K Diao, S Shi, Y Song, L Tang, J Hu, J Jiang… - Physical Chemistry …, 2022 - pubs.rsc.org
The structural evolution of Ben clusters with n= 5–9, the adsorption energy created by the
Ben@ H2O (n= 5–9) complex, and the mechanism of the hydrogen evolution reaction of …
Ben@ H2O (n= 5–9) complex, and the mechanism of the hydrogen evolution reaction of …
Hydrogen evolution from water molecule reactions with Ge7 and Ge6Al clusters
JL Lei, SP Shi, W Guo, MJ Wan, M Yan, YL Liu… - International Journal of …, 2021 - Elsevier
The most stable structures of Ge 6 M (M= Ge, Al) clusters and reactions of Ge 6 M clusters
with a single water molecule are investigated theoretically by density functional theory (DFT) …
with a single water molecule are investigated theoretically by density functional theory (DFT) …
How O2-Binding Affects Structural Evolution of Medium Even-Sized Gold Clusters Aun– (n = 20–34)
We report the first joint anion photoelectron spectroscopy and theoretical study on how O2-
binding affects the structures of medium even-sized gold clusters, Au n–(n= 20–34), a …
binding affects the structures of medium even-sized gold clusters, Au n–(n= 20–34), a …
Suzuki–Miyaura Cross-Coupling Reaction Catalyzed by Al12M (M = Be, Al, C, and P) Superatoms with Different Numbers of Valence Electrons
WL Wang, ZC Zhang, D Yu, BL Ni, WM Sun - Inorganic Chemistry, 2024 - ACS Publications
The exploration of low-cost, efficient, environmentally safe, and selective catalysts for the
activation of carbon–halogen bonds has become an important and challenging topic in …
activation of carbon–halogen bonds has become an important and challenging topic in …
Design of High-Performance Inorganic–Organic Hybrid Nonlinear Optical Materials Using Superhalogen Al13 and Dianhydrides
N Hou, Y Yan, TT Liu - The Journal of Physical Chemistry A, 2024 - ACS Publications
Novel inorganic–organic hybrid complexes Al13–X (X represents the dianhydrides PMDA,
NTCDA, and PTCDA) are theoretically designed and studied using density functional theory …
NTCDA, and PTCDA) are theoretically designed and studied using density functional theory …
Molecular and dissociative adsorption of oxygen on Au–Pd bimetallic clusters: Role of composition and spin state of the cluster
Utilization of molecular oxygen as an oxidizing agent in industrially important reactions is the
ultimate goal to design environmentally benign processes under ambient conditions …
ultimate goal to design environmentally benign processes under ambient conditions …
Investigation of the electronic and optical properties of Al 13–dianhydride complexes by (time-dependent) density functional theory
Y Yan, Y Yang, N Hou - New Journal of Chemistry, 2024 - pubs.rsc.org
The electronic and nonlinear optical (NLO) properties of Al13–X and 2Al13–X (where X
represents dianhydrides BPDA, BTDA, ODPA, and 6FDA) were systematically investigated …
represents dianhydrides BPDA, BTDA, ODPA, and 6FDA) were systematically investigated …
Remarkable static and dynamic nonlinear optical responses of Al 13-TCNQ/F4-TCNQ complexes: a quantum chemical study
N Hou, TT Liu, XH Fang - New Journal of Chemistry, 2022 - pubs.rsc.org
The electronic and nonlinear optical (NLO) properties of Al13-TCNQ/F4-TCNQ were
systematically investigated using density functional theory methods. The Al13-TCNQ/F4 …
systematically investigated using density functional theory methods. The Al13-TCNQ/F4 …