Advanced searches left 3/3

Carboxyl Group - Astrophysics Data System

Summarized by Plex Scholar
Last Updated: 15 January 2023

* If you want to update the article please login/register

Recalibrating the calcium trap in amino acid carboxyl groups via classical molecular dynamics simulations

The interactions between biomolecules, such as aspartic and glutamic acid, and dissolved ions are often investigated using standard biomolecular force fields, where biomolecules' interactions with cations are often not defined specifically. We've used metadynamics simulations to test Ca's various interactions with aspartic and glutamic acid in this research, as well as the Ca2+u2013carboxylate association's free energy profiles. In addition, we increased the u03c3ij value in the hetero-atomic Lennard-Jones interaction by 0. 5 percent to further improve Ca-carrier interactions, which is based on comparison with the experimentally determined association constant for Ca with the carboxylate group of l-aspartic acid. During biogenic and biomimetic calcium carbonate mineralisation, this refined force field was then used to investigate amino acids, calcium, and carbonate ions.

Source link: https://ui.adsabs.harvard.edu/abs/2023PCCP...25.1220K/abstract


A Copper-Organic Framework with Carboxylate Groups for Efficient C 2 -C 3 Hydrocarbons Capture

Increasing the ligand size may increase the pore volume of MOFs, which may even increase the gas adsorption capacity. NEM-5 has similar topology and larger pore volume in comparison to MOF 1, but the gas adsorption capacities are significantly reduced, which may be due to the large pore size and low framework density of NEM-5.

Source link: https://ui.adsabs.harvard.edu/abs/2022JPhCS2383a2143Y/abstract


Two acidic coordination polymers containing uncoordinated carboxyl groups: Syntheses, crystal structures and proton conductivities in Nafion composite membranes

[Cu] n and [Ni 2 ] n were synthesized at lower temperature and poorer acidity state, with lower temperature and weaker acidity. Both composite membrane and pure Nafion membrane composite membrane permeability determinations were shown that compounds 1-2 would boost proton conductivity of the composite membrane by 15. 97 percent and 24. 11% higher than those of pure Nafion membranes, respectively. The continuous hydrogen bonding chains in the crystal structure can be blamed for the increased proton conductivity of 2/Nafion.

Source link: https://ui.adsabs.harvard.edu/abs/2021JSSCh.29521932C/abstract

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions