Insights into Cis-Amide-Modified Carbon Nanotubes for Selective Purification of CH and H from Gas Mixtures: A Comparative DFT Study.

Among a plethora of mixtures, the methane (CH) and hydrogen (H) mixture has garnered considerable attention for multiple reasons, especially in the framework of energy production and industrial processes as well as ecological considerations. Despite the fact that the CH/H mixture performs many critical tasks, the presence of other gases, such as carbon dioxide, sulfur compounds like HS, and water vapor, leads to many undesirable consequences. Thus purification of this mixture from these gases assumes considerable relevance.

Theoretical assessments on the interaction between amino acids and the g-MgN monolayer: dispersion corrected DFT and DFT-MD simulations.

The interaction of a few amino acids (AAs) with the graphene-like magnesium nitride (g-MgN) monolayer has been investigated with density functional theory (DFT) simulations. The Mg site was found to cause significant attraction with the polar active sites of AAs. Such AAs, are capable of producing electrostatics bonding with -48.

Superhydrophobicity: advanced biological and biomedical applications.

Superhydrophobic surfaces for broad applications in biological and biomedical sciences are good potential candidates for technological unsolved challenges. Using superhydrophobicity can supply a suitable and biocompatible strategy for making clean antibacterial surfaces, sensitive biosensors, significant methods for biocrystallization, tunable cell/platelet/blood adhesion surfaces, appropriate templates for gene/drug delivery and 3D cell engineering. Trapped air in surface roughness, surface convection and localizer effects, reduction in tissue-implant unwanted interactions and genes delivery pathways are some of the characteristics that superhydrophobic surfaces can provide to solve biological and biomedical technical restrictions.