Acute psychoactive and toxic effects of D. metel on mice explained by H NMR based metabolomics approach.

Datura metel L. (D. metel) is one well-known folk medical herb with wide application and also the most abused plants all over the world, mainly for spiritual or religious purpose, over-dosing of which often produces poisonous effects.

H NMR-based metabolomics study of liver damage induced by ginkgolic acid (15:1) in mice.

Ginkgolic acid (15:1) is a major toxic component in extracts obtained from Ginkgo biloba (EGb) that has allergic and genotoxic effects. This study is the first to explore the hepatotoxicity of ginkgolic acid (15:1) using a NMR (nuclear magnetic resonance)-based metabolomics approach in combination with biochemistry assays. Mice were orally administered two doses of ginkgolic acid (15:1), and mouse livers and serum were then collected for NMR recordings and biochemical assays.

Pyrazinamide-induced hepatotoxicity and gender differences in rats as revealed by a H NMR based metabolomics approach.

Pyrazinamide (PZA) is a well-known first line anti-tuberculosis drug used in combination with other drugs such as isoniazid and rifampicin. Unfortunately, PZA suffered from a high rate of hepatotoxicity and hyperuricemia, which has not been clearly elucidated, hindering its wide application for therapeutic purposes. The purpose of this investigation was to develop a model of rat sub-acute hepatotoxicity induced by PZA and to explore the affected metabolic pathways by a H NMR-based metabolomics approach complemented with histopathological analysis and clinical chemistry.

Improving the alkaline stability of imidazolium cations by substitution.

Imidazolium cations are promising candidates for preparing anion-exchange membranes because of their good alkaline stability. Substitution of imidazolium cations is an efficient way to improve their alkaline stability. By combining density functional theory calculations with experimental results, it is found that the LUMO energy correlates with the alkaline stability of imidazolium cations.

Effects of substituents and substitution positions on alkaline stability of imidazolium cations and their corresponding anion-exchange membranes.

Imidazolium cations with butyl groups at various substitution positions (N1-, C2-, and N3-), 1-butyl-2,3-dimethylimidazolium ([N1-BDMIm](+)), 2-butyl-1,3-dimethylimidazolium ([C2-BDMIm](+)), and 3-butyl-1,2-dimethylimidazolium ([N3-BDMIm](+)), were synthesized. Quantitative (1)H NMR spectra and density functional theory calculation were applied to investigate the chemical stability of the imidazolium cations in alkaline solutions. The results suggested that the alkaline stability of the imidazolium cations was drastically affected by the C2-substitution groups.