Density functional calculations of thio effects on the in-line mechanism of methanolysis of ethylene phosphate (a reverse reaction model for RNA phosphate transesterification) are presented. A total of 12 reaction mechanisms are examined using the B3LYP functional with large basis sets, and the effects of solvation were treated using the PCM, CPCM, and SM5 solvation models. Single thio substitu...

5-Substituted-4-thio-2'-deoxyuridine nucleosides have been chemically synthesized and studied by NMR and UV spectroscopy. The results have been analyzed and discussed in connection with the previous data. The imino proton signal and the carbon signal of the thiocarbonyl group in the 5-substituted-4-thio-2'-deoxyuridines were found to be at much lower field, offering a potential for monitoring t...

Known as a Lewis acid which acts as a natural catalyst, bentonite can be used to produce several arylidene  (thio) barbituric  acid  derivatives  through  conducting  a  Knoevenagel  reaction  between aromatic aldehydes and (thio) barbituric acid. Water is considered as the medium for this reaction and the results are at arange of good to excellent over a reasonable reaction time. This method i...

The aim of the work. 1,2,4-triazole derivatives possess a wide range pharmacological activity, so they are used for development drugs and active pharmaceutical ingredients. Due to reactivity 1,2,4-triazoles there many options their further structural modification on different reaction centers. Therefore, work was obtain new S-substituted 1,2,4-triazole-3-thiols, study physicochemical parameters...

We have already shown that the in-vacuum gas-phase Meerwein reaction of (thio)acylium ions is general in nature and useful for class-selective screening of cyclic (thio)epoxides. Herein we report that this gas-phase reaction can also be performed efficiently at atmospheric pressure under both electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) conditions. This alte...

β-carboline consists of a pyridine ring fused to an indole skeleton; it possesses numerous pharmacological activities, including anticancer. Previously, we reported satisfactory 2D and 3D QSAR study on derivatives. Based studies, designed, synthesized, characterized, screened fourteen derivatives for anticancer activity. Eleven them demonstrated potent activity against both liver (HepG2) adenoc...

A new click chemistry generated artificial metallonuclease is reported in the Research Article by Andrew Kellett et al. (e202305759). The oxidative DNA damaging properties of a polynuclear copper binding ligand called TC-Thio demonstrated. Copper-TC-Thio binds minor groove genomic and promotes damage via superoxide linked mechanism. inset picture shows ions, bound to ligand, melting into duplex...

The antibacterial activity of 2-thiouracil, 2-methylthiouracil, 2-hydrazinouracil, 2,4-dithiouracil, 2-thio-4-hydrazinouracil, 2-thio-6-azathymine, 2-hydrazino-6-azathymine, 2,4-dithio-6-azathymine, 2-thio-4-hydrazino-6-azathymine, 2,4-dimethylthio-6-azathymine, 2-methylthio-4-hydrazino-6-azathymine, 4-thio-6-azauracil and 4-hydrazino-6-azauracil has been studied on the growth o f : Staphylococ...

Whole-cell patch-clamp was used to assess the modulatory effect of thiopental (Thio) on glycine (Gly) receptor in mechanically dissociated rat spinal dorsal horn neurons. It was found that Thio inhibited the amplitude, accelerated the desensitization and prolonged the deactivation of Gly-induced currents (IGly) in a concentration-dependent manner. In addition, a rebound current occurred after w...