The use of chemometric methods of data analysis for the identification and typification of petroleum and petroleum products
T15N3
T.A. Bolotnik, Yu.V. Timchenko, I.V. Plyushchenko, V.V. Levkina,
A.V. Pirogov, A.D. Smolenkov, M.V. Popik, O.A. Shpigun
A method for identifying straits of rocket kerosene (RG-1 and T-1 brands) and various types of hydrocarbon fuels in the soil (aviation fuel ТС-1 and diesel fuel) has been developed. The proposed variant of identification is based on the preliminary separation of the main components by gas chromatography and their mass spectrometric detection, and processing of the obtained data with chemometric methods of analysis (principal component analysis and projection on latent structures with discriminant analysis) using the programs «MZmine2», «iMet-Q» and «MetaboAnalyst». The opportunity of application of the developed approach for the typification of saturated fractions of oils from different origins is illustrated.
Determination of thiodiglycol and its oxide in biomedical samples by gas chromatography/mass spectrometry
T14N2
N.L. Koryagina, E.I. Savel’eva, N.S. Khlebnikova, A.S. Radilov
An unified procedure for the determination of thiodiglycol (TDG) and its oxide (TDGO) as markers of exposure to sulfur mustard (SM) in biomedical samples (urine, blood plasma, hairs) by means of gas chromatography/mass spectrometry with electron ionization was suggested. The detection limit of the procedure compares with the lowest level of endogenous TDG in biosamples (1 ng ml–1). Solid-phase microextraction of the derivatized analytes from the reaction mixture allows the reduction of the matrix effect. The procedure was used for the analysis of rat biosamples obtained after in vivo exposure to SM. The procedure was found to offer a higher potential in the retrospective determination of the total TDG and TDGO level in rat urine (within 7 days after exposure to 2 mg kg–1 SM) compared to the determination of the same markers of SM in blood plasma. Blood plasma can be used for confirmatory analysis, provided the samples are taken within 2 days after exposure. Hair were found to be the least suitable biomatrix in view of the variability of their background TDG level and the possibility of TDG contamination from other sources.
Chemical structure elucidation of gas chromatographic artifact of synthetic cannabinoid N-(1-carbamoyl-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazol-3-carboxamide by means of high resolution mass spectrometry
T13N4
V.A. Shevyrin
Synthetic cannabinoids are the most popular psychoactive compounds within illegal market. In a course of gas chromatographic determination, some synthetic cannabinoids undergo chemical transformations due to their thermal interaction with chromatographic system. The present paper is devoted to structure elucidation of gas chromatographic artifact formed from synthetic cannabinoid N-(1-carbamoyl-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazol-3-carboxamide as a result of dehydratation of its terminal carbamoyl moiety. Structure of the artifact was determined by means of high resolution mass spectrometry.
Эффективность сочетания масс-селективного и атомно-эмиссионного детектирования при хроматографическом анализе качества воды
Sorry, this entry is only available in Русский.
Анализ тенденций развития инструментального состава хроматомасс-спектрометров
Sorry, this entry is only available in Русский.
