32 results about "Non targeted metabolomics" patented technology

The invention discloses marker screening identification and application of non-concentrated reduced apple juice based on non-targeted metabonomics, and relates to the technical field of fruit juice identification. The invention discloses a marker for identifying non-concentrated reduced apple juice. The marker is selected from the following molecules: gallocatechin, catechin, taxifolin, p-hydroxybenzaldehyde, 5-methoxysalicylic acid, azelaic acid, caffeic acid, chlorogenic acid, epicatechin, eriodictyol, ferulic acid, isoquercetin, naringenin, fructosyl isoleucine, p-coumalaldehyde, p-coumaricacid, phloretin, phlorizin, procyanidine B1, quercetin-3-O-galactoside and rutin. The marker can be used for identifying non-concentrated reduced apple juice and concentrated reduced apple juice, andhas high accuracy.

The invention discloses a GC-MS-based plant non-targeted metabolomics sample pretreatment method. The method comprises the steps of 1) mixing up a plant sample, an internal standard substance and a hydrophilic organic solvent, wherein the hydrophilic organic solvent is pre-cooled to be -20 to 4 DEG C; cooling the obtained mixture to be -80 to -10 DEG C, grinding, crushing and conducting the supersonic extraction in the ice-water bath; 2) then respectively adding a lipophilic organic solvent and water, uniformly mixing up, conducting the supersonic extraction in the ice-water bath, conducting the high-speed centrifugation at the temperature of 0 to 16 DEG C, obtaining the aqueous phase and evaporating; 3) adding an oximation reagent, and conducting the oximation reaction at the temperature of 30 to 45 DEG C; 4) finally adding a derivatization reagent and n-hexane, and conducting the derivatization reaction at the temperature of 60 to 80 DEG C. According to the technical scheme of the invention, based on the above pretreatment method, the primary metabolites of a plant sample can be fully extracted, so that the abundant metabolite spectrum data information can be obtained. Meanwhile, both the change of metabolites during the extraction process, and the pollution of liposoluble substances to a gas chromatographic column can be avoided as much as possible. Therefore, the better sample reproducibility is realized.

The present disclosure relates to methods and apparatus for identifying metabolic pathways and metabolites in complex biological samples. In particular, the present disclosure relates to a method and apparatus to increase the confidence of metabolite identification in metabolomics, such as in untargeted metabolomics data, using various statistical tools, such as over representation and enrichment analysis.

The invention relates to a method for identifying the variety of honey by use of a non-target metabonomics technology. The method is characterized in that through a simple sample pre-treatment process, then lots of high-resolution mass spectrometric data are acquired through an ultra-high performance liquid chromatography-quadrupole / electrostatic field orbitrap high-resolution mass spectrometry method, interference caused by deviation and variation in experimental data through background deduction, chromatographic peak extraction, normalization, data conversion and data scaling, and after that, a real feature marker capable of distinguishing the variety of honey can be discovered and confirmed through principal component analysis, t-checkout, volcano plots and variable importance projection drawings. When the feature marker is utilized to identify the quality of honey, the identification results are objective and accurate. The method is used for not only source-tracing identification of the variety of honey but also variety source tracing and origin tracing identification of other agricultural products.

The invention relates to blood metabolite markers and applications for diagnosing multiple myeloma. First, through non-targeted metabolomics detection of bone marrow and peripheral blood samples from healthy donors (HD) and newly diagnosed patients with multiple myeloma (MM), five metabolites were screened out in bone marrow and peripheral blood. There are significant differences in blood, respectively L_Proline (proline), L_Aspartic acid (aspartic acid), L_Cystine (cystine), Stearic acid (stearic acid), Palmitic acid (palmitic acid). The results of ROC curve analysis showed that the five differential metabolites as a whole could diagnose MM more accurately. Targeted metabolomics detection further confirmed that the metabolite composed of 5 metabolites is an ideal method for MM diagnosis. The invention can accurately diagnose MM, and has great significance for promoting basic research, diagnosis and clinical treatment of MM.

The invention relates to the field of liquid chromatography / mass spectrometry detection and particularly relates to different coffee extraction method characteristic markers and a screening method andapplication thereof. The method comprises: 1) carrying out grouping according to an extraction method of a coffee sample to obtain standard samples, 2) performing liquid chromatography-mass spectrometry analysis on each group of the standard samples, 3) performing statistical analysis on the obtained data to obtain different substances in the standard samples in each group, and 4) characterizingthe structures of the different substances. The screening method is simple, fast, accurate and stable. The ultra-high performance liquid chromatography tandem quadrupole / time-of-flight high-resolutionmass spectrometry-based non-targeted metabolomics technology is used for identification of coffee. The method has great significance for strengthening the research on the identification of coffee brewing methods, exploring the change of coffee components in the brewing process, improving the quality of coffee and ensuring the health of consumers.

The invention belongs to the technical field of oolong tea identification, and relates to the application of a metabolomics analysis technique to identify Yashixiang Dancong tea. In the metabolomics analysis technique, the Log 2 Fold Change, adj .p , VIP value to identify the characteristic components of Yashixiang Dancong tea, the screening condition is ∣Log 2 Fold Change∣>1.5, adj .p <0.01 and VIP>1. A comprehensive, non-discriminatory, non-targeted metabolomics analysis method for Yashixiang was established using metabolomics analysis technology, which can analyze the metabolic components of different varieties of tea and accurately find out the characteristic components of Yashixiang; Based on the chemical composition, a metabolomics analysis method for the characteristic components of Yashixiang Dancong tea was established. Combined with chemometric analysis, screening from big data is conducive to the identification of true and false, geographical traceability and high-quality variety screening of Yashixiang. Characteristic markers of duck feces aroma for applications such as flavor regulation and so on.

The invention discloses a method for screening myocardial ischemia resisting pharmacodynamic material basis of yang exhaustion treating decoction. The method comprises the following steps: 1, determining myocardial ischemia resisting endogenous metabolin of the yang exhaustion treating decoction and measuring the peak area; 2, determining in-vivo migration constituents in the yang exhaustion treating decoction and measuring the peak area; 3, performing correlation analysis on the peak area of the myocardial ischemia resisting endogenous metabolin of the yang exhaustion treating decoction and the peak area of the in-vivo migration constituents in the yang exhaustion treating decoction and screening out myocardial ischemia resisting pharmacodynamic material basis of the yang exhaustion treating decoction. The method disclosed by the invention is based on isoproterenol-induced rat myocardial ischemia model; an ultrahigh performance liquid chromatography-quadrupole rod-flight time mass spectrum non-targeted metabonomic technology and a targeted metabonomic technology based on an ultrahigh performance liquid chromatography-triple quadrupole rod mass spectrum are utilized to screen out 12 kinds of myocardial ischemia resisting pharmacodynamic material basis of the yang exhaustion treating decoction; thus, accuracy of the myocardial ischemia resisting pharmacodynamic material basis ofthe yang exhaustion treating decoction is improved, a screening period is shortened, and screening consumption cost is reduced.