How are N-methylcarbamates encapsulated by β-cyclodextrin: insight into the binding mechanism
X Bao, X Liu, R Dou, S Xu, D Liu, J Luo… - Physical Chemistry …, 2023 - pubs.rsc.org
Guest molecules containing chromophore groups encapsulated by β-cyclodextrin (β-CD)
generate circular dichroism (CD) signals, which enables a preliminary prediction of their …
generate circular dichroism (CD) signals, which enables a preliminary prediction of their …
DFT Investigation on the Complexation of β-Cyclodextrin and Hydroxypropyl-β-Cyclodextrin as Recognition Hosts with Trichloroethylene
In this investigation, the potential use of native β-cyclodextrin (β-CD) and hydroxypropyl-β-
cyclodextrin (HP-β-CD) as encapsulating agents for trichloroethylene (TCE) was assessed …
cyclodextrin (HP-β-CD) as encapsulating agents for trichloroethylene (TCE) was assessed …
Recent Progress in Theoretical Studies and Computer Modeling of Non-Covalent Interactions
AS Novikov - Crystals, 2023 - mdpi.com
It is not at all surprising that the topic of non-covalent interactions, a key pillar of
supramolecular chemistry, has seen interest grow enormously within the last decade. There …
supramolecular chemistry, has seen interest grow enormously within the last decade. There …
Computational insights on the adsorption of glycine, methionine, tyrosine and phenylalanine on the zinc oxide nanocluster Zn12O12
The current work investigated the interaction of ZnO nanoparticles (NPs) with glycine,
tyrosine, methionine and phenylalanine.(ZnO) 12 cage-like cluster was modeled using the …
tyrosine, methionine and phenylalanine.(ZnO) 12 cage-like cluster was modeled using the …
A proposed process for trichlorfon and β-cyclodextrinInclusion complexation by DFT investigation
The current investigation uses the density functional theory (DFT) with the M06-2X functional
and 6-31G (d, p) basis set to examine the interaction between trichlorfon (TCF) and the …
and 6-31G (d, p) basis set to examine the interaction between trichlorfon (TCF) and the …