This study aims to shed light on the mechanism and kinetics of 1,4-dioxane degradation by hydroxyl radical (OH) across various solvation conditions to evaluate electronic and structural properties at the MP2/aug-cc-pVTZ level. Transition states (TS) structures determined in the gas phase and SMD solvation model reveal similar hydrogen abstraction patterns. In contrast, the explicit solvation model (ES) introduces significant changes, suggesting a kinetic preference for axial pathways.
View Article and Find Full Text PDFInt J Nanomedicine
January 2025
Background: The 3D printing of macro- and mesoporous biomimetic grafts composed of polycaprolactone (PCL) infused with nanosized synthetic smectic clay is a promising innovation in biomaterials for bone tissue engineering (BTE). The main challenge lies in achieving a uniform distribution of nanoceramics across low to high concentrations within the polymer matrix while preserving mechanical properties and biological performance essential for successful osseointegration.
Methods: This study utilized 3D printing to fabricate PCL scaffolds enriched with nanosized synthetic smectic clay (LAP) to evaluate its effects on structural, chemical, thermal, mechanical, and degradative properties, with a focus on in vitro biological performance and non-toxicity.
Background: , a notable plant species, has garnered interest for its medicinal properties, including anti-inflammatory, antibacterial and antiviral effects. A vaccine for Chikungunia virus is still under evaluation and no specific antiviral drug has been licensed to date.
Objective: The work investigated antiviral activity of ethyl acetate (EAEF) and methanolic (EMF) extracts from leaves in mammalian cells exposed to (CHIKV).