Influence of Crosslinking Concentration on the Properties of Biodegradable Modified Cassava Starch-Based Films for Packaging Applications.

Chitosan/modified cassava starch/curcumin (CS/S/Cur) films with a crosslinker were developed via the solvent casting technique for the application of food packaging. The effects of citric acid (CA) as a natural crosslinker were assessed at different concentrations (0-10.0%, w/w, on a dry base on CS and S content). To measure the most favorable film, chemical structure and physical, mechanical, and thermal properties were investigated. Successful crosslinking between CS and S was seen clearly in the Fourier Transform Infrared (FTIR) spectra. The properties of the water resistance of the CS/S/Cur films crosslinked with CA were enhanced when compared to those without CA. Furthermore, it was found that the addition of CA crosslinking would improve the mechanical properties of composite films to some extent. It had been reported that the CA crosslinking level of 7.5 wt% of CS/S/Cur film demonstrated high performance in terms of physical properties. The tensile strength of the crosslinked film increased from 8 ± 1 MPa to 12 ± 1 MPa with the increasing content of CA, while water vapor permeability (WVP), swelling degree (SD), and water solubility (WS) decreased. An effective antioxidant scavenging activity of the CS/S/Cur film decreased with an increase in CA concentrations. This study provides an effective pathway for the development of active films based on polysaccharide-based film for food packaging applications.

Binding interactions and in silico ADME prediction of isoconessimine derivatives as potent acetylcholinesterase inhibitors.

In pursuit of new acetylcholinesterase (AChE) inhibitors for treating Alzheimer's disease (AD), a series of ten previously synthesized isoconessimine compounds (7a-7j) was in silico investigated for their binding interactions with AChE and pharmacokinetics based on absorption, distribution, metabolism, and excretion (ADME) properties using molecular docking, ONIOM (Our own N-layered Integrated molecular Orbital and molecular Mechanics) method and SwissADME tools. Docking experiments showed that all compounds bind within the active site gorge of AChE (PDB entry 1C2B), posing its aryloxy-substitutional ethyl group to catalytic site and conessine skeleton to peripheral anionic site. ONIOM interaction energy was used as an ONIOM score to improve docking score, and it ranked 7b as the most potent AChE inhibitor, in agreement with previous experiment. Residues, ASP74, TRP86, GLY122, GLU202, TRP286, GLU292, SER293, ILE294, TYR337, TYR341, and HIS447 were identified as important for the binding of the AChE-isoconessimine complex. The SwissADME investigation suggested that four compounds (7a, 7c, 7d and 7f) agree with the rules of drug-likeness. The steric and electronic effects on the aryloxy-substitutional ethyl group as important factors in the AChE inhibition were also discussed, which brings a better understanding of Alzheimer's disease drug development.