In the present investigation, corrosion inhibition potency of five pyridine derivatives was computationally simulated and investigated by utilizing Density Functional Theory (DFT) technique using a basis set B3LYP/6-31++G (d,p). The predicted capacity shown to improve in order 6-(trifluoromethyl) nicotinic acid > 4-(trifluoromethyl) N-methyl-4-chloropyridine-2-carboxamide 2-chloro-6-trifluor...

Abstract Four compounds with the composition Cd(NCSe) 2 (3‐ClPy) 4 ( 1 ), [Cd(NCSe) ] ⋅ 3‐ClPy 3 ) and = 3‐chloropyridine were synthesized. In structure of discrete complexes are observed, whereas in Cd cations linked by pairs selenocyanato anions into chains between solvate molecules embedded. compound each two anionic ligands dinuclear units, that further connected layers μ‐1,3 single bridgin...

The human nuclear single-stranded (ss) DNA- binding protein, replication protein A (RPA), is a heterotrimer consisting of three subunits: p70, p32 and p14. The protein-DNA interaction is mediated by several DNA-binding domains (DBDs): two major (A and B, also known as p70A and p70B) and several minor (C and D, also known as p70C and p32D, and, presumably, by p70N). Here, using crosslinking expe...

An N-heterocyclic carbene-ligated palladium catalyst was discovered to mediate living, chain-growth polymerizations of both phenylene- and thiophene-based monomers. Polymerization of a fluorene-based monomer, on the other hand, did not proceed through a living, chain-growth pathway. Excitingly, block copolymerizations of phenylene and thiophene proceeded via a chain-growth pathway, regardless o...

sulfur mustard (sm, bis- (2-chloroethyl) sulphide) is a chemical warfare agent that causes dna alkylation, protein modification and membrane damage. sm can trigger several molecular pathways involved in inflammation and oxidative stress, which cause cell necrosis and apoptosis, and loss of cells integrity and function. epigenetic regulation of gene expression is a growing research topic and is ...

A new chiral ruthenium complex 6, featured with an N,O-mixed polydentate ligand, was synthesized and characterized. This ruthenium complex showed high efficiency in catalytic cyclopropanations of alkenes with diazoacetates. High trans/cis selectivity and enantioselectivity (up to 96%) were achieved with the readily accessible ethyl diazoacetate as the reagent. © 2002 Elsevier Science Ltd. All r...