This article aims to review the application of various quantum chemical methods (semi-
empirical, density functional theory (DFT), second order Møller–Plesset perturbation theory …

Two Schiff base ligands and some related bidentate and tetradentate Zn (II) complexes were
investigated for their biological activity profiles as anticancer agents by resazurin method …

Water is very important for human survival. Economic and industrial development has
caused urgent water pollution problems, especially pollution of water with aromatic …

In this study, umbelliferone and α-cyclodextrin host molecules have been mixed up through
a coprecipitation method to prepare a supramolecular complex to provide physical insights …

Cyclodextrins (CDs) have been discovered to provide an efficient solution to the limited
application of ester aroma molecules used in food, tobacco, and medication due to their …

This study describes a novel application of the use of molecular modeling tools for
investigating the adsorption of organic micropollutants (OMPs) from water by …

Given the widespread and diverse effects of transition metal ions such as copper and zinc in
multiple biological processes, this research endeavor addresses herein the microwave …

Puerarin with antioxidant ability has been applied in the food industry as well as in medicine.
However, Puerarin is poorly soluble in water and is unstable at high temperatures. A new …

In this work, the host-guest inclusion complexes of pyroquilon (Pyn) with two cucurbit [n] urils
(CB [7] and CB [8]) were investigated by the density functional theory including dispersion …

Cancer is a malignant disease characterized by uncontrolled multiplication of cancer cells in
certain organs. As an alternative therapy, Jacaranone could be used as an anticancer. The …