High-level ab initio electronic structure calculations, including extrapolations to the complete basis set (CBS) limit, were performed, and highly precise relative energies of five-member N-heterocycles were determined. Nitrogen-containing heterocycles studied included tautomers of tetrazole (CH(2)N(4)) and triazoles (C(2)H(3)N(3)). Valence focal-point analysis of 1H-tetrazole, 2H-tetrazole, 5H...

Recently, branching and click chemistry strategies have been combined to design a series of optically active chromophores built from triazole moieties. These triazole-based multipolar chromophores have been shown to be promising candidates for two-photon absorption (TPA) transparency optimization in perspective of optical limiting in the visible region. In this work, the nature of one- and two-...

In the previous years the synthesis of high nitrogen containing heterocyclic systems has been attracted to many pharmaceutical and agrochemical industries. The triazole nucleus is one of the most important heterocycles which is a feature of natural products and medicinal agents. Triazole nucleus is enjoying their importance as being the center of activity. The nitrogen containing heterocyclics ...

Triazole is a five member heterocyclic nucleus has attracted a wide consideration in exploration for the new remedial agents. This nucleus acts very important role in biological fields for various biologically active molecules. The chemistry of triazole compounds has expected considerable interest due to their synthetic and effective biological properties likes analgesic, antinflammatory, antio...

We performed first principles molecular dynamics simulations to elucidate the mechanism and role of 1,2,3-triazole in proton transport while it is mixed with phosphoric acid (PA) and a phosphoric acid imidazole mixture. PA doped imidazole based polymer acts as an efficient polyelectrolyte membrane for fuel cells. The conductivity of this membrane increases when triazole is added to the system. ...

Amorphophallus campanulatus (Elephant Foot Yam) is a rich source of starch, essential amino acids and therefore, used as a vegetable. It is cultivated and utilized in various regions of South India. Triazole compounds are widely used systemic fungicides to control diseases in plants and animals. Many of the triazole compounds have both fungi toxic and plant growth regulating properties. Hence, ...

Article is based on the different pharmacological activity of the triazole ring, from a last decade a lot of work is going on, on the triazole ring , scientists develop a lot of new compounds related to this moiety and screened them for there different pharmacological activities to get a molecule which have good pharmacological activity and lesser side effect. This review article reflects vario...

We report 1H-1,2,3-triazole as an active group to dramatically enhance proton conduction in a polymer electrolyte membrane (PEM). The conductivities of a poly(4-vinyl-1H-1,2,3-triazole) membrane without any acidic dopants are about 105 times greater than those of poly(4-vinylimidazole) in dry air at 50-150 degrees C. Polymers with groups promoting proton conduction attached to the backbone have...

The ligands 1-(cyclohexyl)-4-(2-pyridyl)-1,2,3-triazole (1), 1-(2,6-diisopropylphenyl)-4-(2-pyridyl)-1,2,3-triazole (2), 1-(4-butoxyphenyl)-4-(2-pyridyl)-1,2,3-triazole (3) and 1-(methyl)-4-(2-pyridyl)-1,2,3-triazole (4) were synthesized by the Cu(I) catalyzed "Click" reaction between 2-pyridylacetylene and the corresponding azides. The ligands were then reacted with NiBr(2)·3H(2)O to generate ...

A series of 2-(4-nitro-1-imidazolylmethyl)-1,3,4-oxadiazole, 1,3,4-triazole and 3-(4-nitro-1-imidazolylmethyl)-1,2,4-triazole derivatives were synthesized and tested for their antimicrobial activity. Some of the tested compounds were active against Staphylococcus aureus, Staphylococcus epidermidis, Bacillus subtilis, Clostridium difficile, Aspergillus niger and Cryptococcus neoformans.