The influence of acceptor nucleophilicity on the glycosylation reaction mechanism.

The influence of acceptor nucleophilicity on the glycosylation reaction mechanism† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc04638j Click here for additional data file.

Experimental Studies, Response Surface Methodology and Molecular Modeling for Optimization and Mechanism Analysis of Methylene Blue Dye Removal by Different Clays

In this work, three types of natural clays including kaolinite, montmorillonite, and illite with different molecular structures, as adsorbents, are selected for the removal of methylene blue dye, and their performance is investigated. Also the optimization and the analysis of the dye adsorption mechanism are performed using the response surface methodology, molecular modeling, and experimental ...

Temperature differences for trans-glycosylation and hydrolysis reaction reveal an acceptor binding site in the catalytic mechanism of Trypanosoma cruzi trans-sialidase.

Trypanosoma cruzi, the agent of Chagas disease, expresses on its surface a trans-sialidase that catalyzes preferentially the transference of alpha-2,3-linked sialic acid to acceptors containing terminal beta-galactosyl residues, instead of the typical hydrolysis reaction, found in most sialidases. The trans-sialidase is responsible for the acquisition of the host sialic acid by this protozoan p...

Theoretical studies on corrosion inhibition of N-aroyl-N’-aryl thiourea derivatives using conceptual DFT approach

In this paper, quantum chemical parameters at density functional theory (DFT) B3LYP/6-31G** (d,p) level of theory were calculated for three organic corrosion inhibitors [N-benzoyl-N-(p-aminophenyl) thiourea, N-benzoyl-N-(thiazole) thiourea and N-acetyl-N-(dibenzyl) thiourea. The calculated molecular descriptors such as the HOMO, LUMO, dipole moment, chemical potential (μ), chemical hardness (ղ)...

The Effect of Organic Substituents on the Acceptor Properties of TIN (IV) Chlorides

The equilibrium constant of adduct formation between some triorganotin chloride of the type R3SnCl (R=C6H5, p-CH3C6H4, n-CH3)CH2)3, C6H5-CH2 and Lewis bases Cl¯, Br¯, and I¯, were measured in 50% v/v ethanol-water solvent spectrophotometrically. The average equilibrium co...