Unveiling the Origin of Alkali Metal (Na, K, Rb, and Cs) Promotion in CO Dissociation over MoC Catalysts.

Molybdenum carbide (Mo2C) is a promising and low-cost catalyst for the reverse water−gas shift (RWGS) reaction. Doping the Mo2C surface with alkali metals can improve the activity of CO2 conversion, but the effect of these metals on CO2 conversion to CO remains poorly understood. In this study, the energies of CO2 dissociation and CO desorption on the Mo2C surface in the presence of different alkali metals (Na, K, Rb, and Cs) are calculated using density functional theory (DFT).

Biobased dynamic hydrogels by reversible imine bonding for controlled release of thymopentin.

Thymopentin (TP5) is widely used in the treatment of autoimmune diseases, but the short in vivo half-life of TP5 strongly restricts its clinical applications. A series of blank and TP5 loaded hydrogels were synthesized via reversible dual imine bonding by mixing water soluble O-carboxymethyl chitosan (CMCS) with a dynamer (Dy) prepared from Jeffamine and benzene-1,3,5-tricarbaldehyde. TP5 release from hydrogels was studied at 37 °C under in vitro conditions.

A Theoretical Study on Laser Cooling Feasibility of Group IVA Hydrides XH (X = Si, Ge, Sn, and Pb): The Role of Electronic State Crossing.

The feasibility of direct laser cooling of SiH, GeH, SnH, and PbH is investigated and assessed based upon first principles. The internally contracted multi-reference configuration interaction method with the Davidson correction is applied. Very good agreement is obtained between our computed spectroscopic constants and the available experimental data.