Synthesis, quantum chemical calculations, in silico and in vitro bioactivity of a sulfonamide-Schiff base derivative.

The sulfonamide Schiff base compound (E)-4-((4-(dimethylamino)benzylidene)amino)-N-(5-methylisoxazol-3-yl)benzenesulfonamide was successfully prepared and fully characterized. The foremost objective of this study was to explore the molecular geometry of the aforementioned compound and determine its drug likeness characteristics, docking ability as an insulysin inhibitor, anticancer and antioxidant activities. The molecular structure of this compound was optimized using the B3LYP/6-311G+(d,p) level of theory.

On Aethina Erichson of Northeast India (Coleoptera: Nitidulidae: Nitidulinae).

Four species of Aethina [Aethina (Aethina) vicina Grouvelle, 1894, Aethina (Idaethina) orientalis (Nietner, 1856), Aethina (Idaethina) subrugosa (Grouvelle, 1894b) and Aethina (Circopes) subquadrata (Motschulsky, 1858)] have been newly recorded from northeast Indian states. Hitherto, three species, viz., Aethina (Aethina) argus Grouvelle, 1890, Aethina (Aethina) cyaneipennis Grouvelle, 1903 and Aethina (Aethina) inconspicua Nakane, 1967 were known from Northeast India.

Computational and experimental insight into antituberculosis agent, ()-benzyl-2-(4-hydroxy-2-methoxybenzylidene) hydrazinecarbodithioate: ADME analysis.

A new Schiff base, ()-benzyl-2-(4-hydroxy-2-methoxybenzylidene)hydrazinecarbodithioate (compound ) has been synthesized and experimentally characterized by the IR, UV-Vis, H-NMR and mass spectroscopies. The theoretical study of the synthesized compound was evaluated using the density functional theory (DFT) at B3LYP/6-31G+(d,p) basis set. The electronic absorption spectrum of compound was evaluated using time-dependent density functional theory.

DFT studies on vibrational and electronic spectra, HOMO-LUMO, MEP, HOMA, NBO and molecular docking analysis of benzyl-3-N-(2,4,5-trimethoxyphenylmethylene)hydrazinecarbodithioate.

Benzyl-3-N-(2,4,5-trimethoxyphenylmethylene)hydrazinecarbodithioate (compound is a bidentate and nitrogen-sulfur containing Schiff base, which has been synthesized by the condensation reaction of S-benzylndithiocarbazate and 2,4,5-trimethoxybenzaldehyde. The theoretical calculations of the mentioned compound have been carried out using the more popular density functional theory method, Becke-3-Parameter-Lee-Yang-Parr (B3LYP) in 6-31G+(d,p) basis set. The computational results of the compound were compared with the obtained experimental value.

The effect of microwave roasting on the antioxidant properties of the Bangladeshi groundnut cultivar.

Background: Groundnut seeds are an important source of bioactive phenolic compounds with noteworthy antioxidant capacity, which may be enhanced by the microwave roasting process. The aim of this work is   to study the changes in antioxidant activity in groundnut seeds during microwave roasting, as a function of roasting time and extract concentration, in order to maximise the phenolic content and antioxidant activity of roasted seeds.

Methods: The study was conducted to evaluate total phenolic content (TPC), total flavonoid content (TFC), and antioxidative activity of methanolic (GME), ethanolic (GEE), and chloroform (GCE) extracts and methanolic extract of oil (GMO) from groundnut seeds exposed to microwaves.

A general route to mono- and disubstituted divinyl sulfones: acyclic Michael acceptors for the synthesis of polyfunctionalized cyclic sulfones.

Nucleophilic C-S bond formation using easily available β-hydroxysulfonate derivatives allowed direct access to new mono- and disubstituted divinyl sulfones. Our strategy uses thioethanol (HSCH(2)CH(2)OH) and its analogues such as HSCH(2)CH(Y)OH generated in situ. The strategy also allows the synthesis of modified divinyl sulfones attached to chiral appendages like carbohydrates.

First synthesis and antiprotozoal activities of divinyl sulfone-modified carbohydrates.

Divinyl sulfone-modified carbohydrates have been synthesized for the first time by reacting easily available carbohydrate epoxides with thioethanol in a regiospecific fashion. One of the modified divinyl sulfones initiated significant cell death in Entamoeba species and the influence of the anomeric configurations on the biological activities of these sugar-derived divinyl sulfones has been highlighted. The most active compound in this series was found to be devoid of any toxicity.

A surprising C-4 epimerization of 5-deoxy-5-sulfonylated pentofuranosides under Ramberg-Bäcklund reaction conditions.

Treatment of methyl 5-deoxy-2,3-O-isopropylidene-5-(benzylsulfonyl)-β-D-ribofuranoside with CBr(2)F(2)-KOH/Al(2)O(3) afforded the corresponding olefinic sugar. The methyl- and the isopropyl-analogues in contrast underwent epimerization at C-4 to generate the α-L-lyxo derivatives.

Diastereoselective michael initiated ring closure on vinyl sulfone-modified carbohydrates: a stereospecific and general route to alpha-substituted cyclopropanes.

Suitably designed vinyl sulfone-modified furanosides act as substrates for Michael initiated ring closure reactions yielding cyclopropanated carbohydrates. The strategy is general in nature and gives access to cyclopropanes with predefined chiralities on three consecutive carbons with varying substitutions at the alpha-position.

Diastereoselective C-C bond formation at C-5 of vinyl sulfone-modified hex-5-enofuranosyl carbohydrates: diversity-oriented synthesis of branched-chain sugars and beyond.

This is the first report on the diastereoselective addition of carbon nucleophiles to vinyl sulfone-modified hex-5-enofuranosides. The stereoelectronic properties of the substituents at the C-3 position and their interactions with the incoming carbon nucleophiles control the diastereoselectivity of addition at the C-5 position, favoring the formation of l-ido derivatives as major products in most of the cases studied. This new concept of stereocontrolled carbon-carbon bond formation in vinyl sulfone-modified carbohydrates is general in nature.