aone water molecule whereas the phenolate species prefer to[translate] a胡老师,你知道吗 正在翻译,请等待...[translate] aboth water molecules are attached to the phenolate end of[translate]
The predicted AvrE/DspE channels have a diameter of 15–20 Å, much larger than the size of a water molecule or a simple ion. We reasoned that, in addition to ions and water, the AvrE and DspE channels may allow larger molecules to pass through. We conducted fluorescent dye permeabili...
Calculations show that a water-catalyzed [1,2]-hydrogen shift adopts a proton-transport catalysis strategy, in which the acetoxy group in the substrate is critical because it acts as either a proton acceptor when one water molecule is involved in catalysis or a proton-relay stabilizer when a ...
Hydrogen bonding (H-bonding) of water molecules confined in nanopores is of particular interest because it is expected to exhibit chemical features different from bulk water molecules due to their interaction with the wall lining the pores. Herein, we sh
The steric effect is achieved due to the hydrophobic side chains of the molecule of polycarboxylate ether. Addition of the polycarboxylate plasticizer makes it possible to: considerably decrease the amount of tempering water; increase the setting ti...
The weak adsorptive interaction between the π-electrons of the activated carbon basal planes and the loose electrons of the aromatic rings of the dye molecule also accounts for the efficient dye adsorption (Chatterjee et al. 2005; Giannakoudakis et al. 2016). Thus, efficient adsorption of dye...
The geometry optimizations of PRO, betaine, and ethylene glycol molecule were performed first by density functional theory using the B3LYP DEF2-TZVP method [40]. Water molecules were chosen to surround with an inhibitor molecule, especially on hydrophilic atoms. Then the clusters of PRO, betaine,...
Unlike many computational studies on POM catalysts [20,21] that perform stationary calculations in the gas phase or using implicit continuum solvation models [22,23], such a complex environment requires proper sampling of the molecule’s phase space through molecular dynamics methods and over rather...
From Photosynthesis to Biosensing: Chlorophyll Proves to Be a Versatile Molecule. Sens. Int. 2020, 1, 100058. [Google Scholar] [CrossRef] Sayyed, R.; Uarrotaaeditors, V.G. Secondary Metabolites and Volatiles of PGPR in Plant-Growth Promotion; Springer: Berlin/Heidelberg, Germany, 2022. [...
The H2O molecule is electrically neutral, but the positive and negative charges are not distributed uniformly. This is illustrated by the gradation in color in the schematic diagram here. The electronic (negative) charge is concentrated at the oxygen end of the molecule, owing partly to the non...