On the Inhibitability of Natural Products Isolated from towards Tyrosine Phosphatase 1B (PTP1B) and α-Glucosidase (3W37): An In Vitro and In Silico Study.

Folk experiences suggest natural products in can be effective inhibitors towards diabetes-related enzymes. The compounds were experimentally isolated, structurally elucidated, and tested in vitro for their inhibition effects on tyrosine phosphatase 1B (PTP1B) and α-glucosidase (3W37). Density functional theory and molecular docking techniques were utilized as computational methods to predict the stability of the ligands and simulate interaction between the studied inhibitory agents and the targeted proteins.

An Integrated MCDM Model for Conveyor Equipment Evaluation and Selection in an FMC Based on a Fuzzy AHP and Fuzzy ARAS in the Presence of Vagueness.

The conveyor system plays a vital role in improving the performance of flexible manufacturing cells (FMCs). The conveyor selection problem involves the evaluation of a set of potential alternatives based on qualitative and quantitative criteria. This paper presents an integrated multi-criteria decision making (MCDM) model of a fuzzy AHP (analytic hierarchy process) and fuzzy ARAS (additive ratio assessment) for conveyor evaluation and selection.

Theoretical study on the reaction of the methylidyne radical, CH(X(2)Π), with formaldehyde, CH2O.

A theoretical study of the mechanism and kinetics of the CH(X(2)Π) + H2C═O reaction was carried out by ab initio molecular orbital theory based on the CCSD(T)/aug-cc-pVTZ//BHandHLYP/aug-cc-pVDZ method in conjunction with statistical theoretical kinetic VTST and RRKM Master Equation calculations. The potential energy surface for the cis/trans-HCOH + CH reactions was also examined. Calculated results show that the association reaction of CH and CH2O occurs by addition of the CH radical onto the oxygen atom, cycloaddition onto the C═O bond, and, for a small fraction, insertion of CH into a C-H bond, forming CH2C-O-CH, cyclic H2COCH, and CH2CHO, respectively.