Computational Modeling of the Interaction of Silver Clusters with Carbohydrates.

Silver nanoparticles are recognized for their numerous physical, biological, and pharmaceutical applications. In the present study, the interaction of silver clusters with monosaccharide molecules is examined to identify which molecule works better as a reducing agent in the application of a green synthesis approach. Geometry optimization of clusters containing one, three, and five silver atoms is performed along with the optimization of α-d-glucose, α-d-ribose, d-erythrose, and glyceraldehyde using density functional theory.

Molecular modeling of four Dermaseptin-related peptides of the gliding tree frog Agalychnis spurrelli.

In this research, we present a preliminary computational study of four Dermaseptin-related peptides from the skin exudate of the gliding tree frog Agalychnis spurrelli. Experimentally, the amino acid sequence of these peptides was elucidated through molecular cloning and tandem mass spectrometry and synthetic peptides were assayed against E. coli, S.

On the Reaction Mechanism of the 3,4-Dimethoxybenzaldehyde Formation from 1-(3',4'-Dimethoxyphenyl)Propene.

Lignin peroxidase (LiP) is an important enzyme for degrading aromatic hydrocarbons not only in nature but also in industry. In the presence of H₂O₂, this enzyme can easily decompose lignin and analogue compounds under mild conditions. In this reaction mechanism, LiP catalyzes the C-C cleavage of a propenyl side chain, being able to produce veratraldehyde (VAD) from 1-(3',4'-dimethoxyphenyl) propene (DMPP).