Chiral recognition by cyclodextrins is of considerable importance, especially for
pharmaceutical industry, in view of the possible side effects of the second enantiometer of …

For many years on the basis of X-ray studies cyclodextrins were considered to have a rigid
truncated-cone structure although this concept was incompatible with the ease of their …

A new theoretical approach was recently addressed to predict cyclodextrin host–guest
binding constants with the GFN2-xTB semiempirical quantum method. Within such a …

(+)-Catechin is a polyphenolic compound of natural origin that presents anti-oxidant
properties of interest for therapeutics or cosmetics uses. Preliminary studies on inclusion into …

A theoretical and experimental study about the formation and structure of the inclusion
complex (−)-menthyl-O-β-D-glucopyranoside 1 with β-cyclodextrin (β-CD) 2 is presented as …

In this article we carried out a comprehensive investigation of true minima on the potential
energy surface (PES) for the α-cyclodextrin molecule using ab initio Hartree− Fock (HF) and …

A general method is proposed to model the behavior of cyclodextrins (CDs) and of their
inclusion compounds through energy minimizations and molecular dynamics (MD) …

The interaction of progesterone with β-cyclodextrin (β-CD) was studied by differential pulse
polarography. The aim of the present work was to study the effect of β-CD on the …

In this study, the influence of alkyl functional groups on thermal conductivity of graphene
oxide (GO) nanosheets is studied using a reverse non-equilibrium molecular dynamics …

Thymol and carvacrol belong to the class of terpenoids that usually contribute to the flavor,
color, and development of plants, and their complexation with CD has been recently …