the structural requirements for the inhibitor activity of various furan carboxanilide derivatives against succinate dehydrogenase complex (sdc) activity in mitochondria of either wild or mutant strains of ustilago maydis were investigated with the aid of hansch qsar analysis. it has been found that the inhibitor activity against both types of enzymes is best related to the ??? or ??m of the sub...

stability of the π-π stacking interactions in the ben||substituted-coronene and hfben||substituted-coronene complexes was studied using the computational quantum chemistry methods (where ben and hfben are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four x groups, and x= nh2, ch3, oh, h, f, cf3, cn and no). ...

Alkene hydrosilylation is amongst the largest industrial homogenous catalysis processes. Cobalt offers a sustainable alternative to commonly used platinum catalysts achieve this transformation. Using two bisiminopyridine cobalt(II) regiodivergent of alkenes has been developed. Variation pre-catalyst activator and ligand substituents were investigated enable controlled, both aryl- alkyl-substitu...

the concept of resonance assisted hydrogen bond (rahb), which usually occurs in b diketons, has a remarkable role in chemistry. these molecules, which contain heteroatom particularly o and n, are species with biological interest in protein folding and dna pairing. therefore, the amplification of hydrogen bonds strength by substituents may be important in life sciences. in the current research, ...

The concept of Resonance Assisted Hydrogen Bond (RAHB), which usually occurs in b diketons, has a remarkable role in chemistry. These molecules, which contain heteroatom particularly O and N, are species with biological interest in protein folding and DNA pairing. Therefore, the amplification of hydrogen bonds strength by substituents may be important in life scie...

1-carboxymethyl-3-methylimidazolium chloride {[cmmim]cl} is utilized as a highly efficient and reusable catalyst for the synthesis of bis(indolyl)methanes by the condensation reaction of indole with arylaldehydes under solvent-free conditions at room temperature. in summary, the presented method have several advantages including simplicity, low cost, generality, efficiency, clean reaction profi...

Reactions between 1,8-dichloroanthracenes with substituents in position 10 and ortho-chloroaryne afford mixtures of 1,8,13- (syn) and 1,8,16-trichlorotriptycenes (anti). The syn/anti ratio is dependent on these substituents. Electropositive substituents like SiMe3 and GeMe3 lead to preferred formation of the syn-isomer, whereas CMe3 groups exclusively afford the anti-isomer. Different quantum c...

A new mathematical model has been developed that expresses the toxicities (EC₅₀ values) of a wide variety of ionic liquids (ILs) towards the freshwater flea Daphnia magna by means of a quantitative structure-activity relationship (QSAR). The data were analyzed using summed contributions from the cations, their alkyl substituents and anions. The model employed multiple linear regression analysis...

prepared, and their Ca2+ -antagonistic activity was evaluated. Among these compounds, the N-Me derivatives with m-OMe, p-F, p-Cl, 3,4-(OM4 and 3,5-(OMe)2 substituents on the A ring were found to show higher Ca2+ -antagonistic activity than verapamil . The effect of substituents on the A ring was examined quantitatively using physicochemical substituent parameters and regression analysis. The an...

The effect on catalyst performance of altering substituents at the 2-position of the Macmillan imidazolidinone has been examined. Condensation of L-phenylalanine N-methyl amide with acetophenone derivatives results in a series of imidazolidinones whose salts can be used to accelerate the Diels-Alder cycloaddition. Electron withdrawing groups significantly increase the overall rate of cycloaddit...