Metabolic profiling of four synthetic stimulants, including the novel indanyl-cathinone 5-PPDi, after human hepatocyte incubation / 药物分析学报

Synthetic cathinones are new psychoactive substances that represent a health risk worldwide. For most of the 130 reported compounds, information about toxicology and/or metabolism is not available, which hampers their detection (and subsequent medical treatment) in intoxication cases. The principles of forensic analytical chemistry and the use of powerful analytical techniques are indispensable for stab-lishing the most appropriate biomarkers for these substances. Human metabolic fate of synthetic cathinones can be assessed by the analysis of urine and blood obtained from authentic consumers;however, this type of samples is limited and difficult to access. In this work, the metabolic behaviour of three synthetic cathinones (4-CEC, 4-CPrC and 5-PPDi) and one amphetamine (3-FEA) has been evalu-ated by incubation with pooled human hepatocytes and metabolite identification has been performed by high-resolution mass spectrometry. This in vitro approach has previously shown its feasibility for obtaining excretory human metabolites. 4-CEC and 3-FEA were not metabolised, and for 4-CPrC only two minor metabolites were obtained. On the contrary, for the recently reported 5-PPDi, twelve phase I metabolites were elucidated. Up to our knowledge, this is the first metabolic study of an indanyl-cathinone. Data reported in this paper will allow the detection of these synthetic stimulants in intoxi-cation cases, and will facilitate future research on the metabolic behaviour of other indanyl-based cathinones.

Volatile organic compounds profiles emitted by Cochliobolus miyabeanus, a causal agent of brown spot disease of rice

Aims@#Brown spot disease is among the important crop diseases of rice caused by the infection of a pathogenic fungus, Cochliobolus miyabeanus that results in yield losses. Nowadays, limited studies on volatile organic compounds (VOCs) have been carried out using pathogenic fungal isolate. Hence, this study was conducted to identify VOCs produced by C. miyabeanus wild-type isolate, WK1C, a causal agent of brown spot disease using gas chromatography-mass spectrometry (GC-MS). @*Methodology and results@#Fungal isolate WK1C was cultured on potato dextrose agar (PDA) and in potato dextrose broth (PDB) for extraction. The extracts were analysed using GC-MS and the profiles of VOCs were obtained. Cochliobolus miyabeanus WK1C isolate showed a significant presence of various types of organic compound including ester, alcohol, phenol, alkane, alkene, ketone, carboxylic acid, amide and aldehyde. @*Conclusion, significance and impact of study@#This study important for a preliminary assessment of VOCs profiles of C. miyabeanus, a causal agent of brown spot disease. In order to identify the compounds contribute to pathogenicity, further study can be conducted to identify the virulence factor of brown spot disease using different approaches

Progress of Application of LC-MS/MS Technology in Analysis of in Vivo Drug Metabolites / 中国药学杂志

The rapid development of modern analytical technology provides many methods of detecting drugs and their metabolites. LC-MS/MS technology has become one of the most commonly used methods in drug metabolites analysis with its characteristics of simpleness and high efficiency. In this paper, based on the published articles of in vivo drug metabolites study by LC-MS/MS in recent years, the processes of data acquisition and processing, metabolites detecting and identification and software-assisting were summarized. This article provides references for research on drug metabolism using LC-MS/MS.

Quercetin-3-O-β-D-glucopyranosyl-(4→1)-α-L-rhamnoside metabolites in the rat using UPLC-Q-TOF/MS / 中国天然药物

Ultraperformance liquid chromatography/quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF/MS) and the Metabolynx™ software, combined with mass defect filtering, were applied to identity the metabolites of quercetin-3-O-β-D-gluco-pyranosyl-(4→1)-α-L-rhamnoside (QGR) in rats after intravenous administration. MS(E) was used for simultaneous acquisition of precursor ion information and fragment ion data at high and low collision energy in one analytical run, which facilitated the rapid structural characterization of eight metabolites in rat plasma, urine and bile. The results indicated that methylation and glucuronidation were the major metabolic pathways of QGR in vivo. The present study provided important information about the metabolism of QGR which will be useful for fully understanding the mechanism of action of this compound. Furthermore, this work demonstrated the potential of the UPLC-Q-TOF/MS approach using Metabolynx for rapid and automated research of the metabolites of natural products.

Metabonomics analytical technologies and metabolite identification / 国际药学研究杂志

In recent years, the metabonomics technologies have been widely used in numerous science fields. The rapid, accurate analysis and identification for a large number of small molecular metabolites is the key of metabonomics studies, which relies largely on the progress in relevant technologies. The development and combination of many technologies, such as nuclear magnetic resonance (NMR), mass spectrometry (MS), chromatography and capillary electrophoresis, make them possible for the wide application of metabonomics. NMR and MS are the most important technical platforms in metabonomics studies. The unambiguous identification of metabolites is the basic task of metabonomics studies. The research progress in metabonomics analytical technologies and metabolite identification is reviewed in this paper.