Metabolomics is the holistic qualification and quantification of metabolites in vivo. Metabolomics explores the relative relationship between metabolites and physiological or pathological changes. Its characteristics of integrity, high throughput and the ‘end of the end’ has a prominent advantage in the study of the Chinese medicine overall efficacy and the mechanisms of multitarget effects. Th...

One of the new expanding areas in functional genomics is metabolomics: measuring the metabolome of an organism. Data being generated in metabolomics studies are very diverse in nature depending on the design underlying the experiment. Traditionally, variation in measurements is conceptually broken down in systematic variation and noise where the latter contains, e.g. technical variation. There ...

Metabolomics holds the promise as a new technology to diagnose highly heterogeneous diseases. Conventionally, metabolomics data analysis for diagnosis is done using various statistical and machine learning based classification methods. However, it remains unknown if deep neural network, a class of increasingly popular machine learning methods, is suitable to classify metabolomics data. Here we ...

Metabolomics, along with other "omics" approaches, is rapidly becoming one of the major approaches aimed at understanding the organization and dynamics of metabolic networks. Mass spectrometry is often a technique of choice for metabolomics studies due to its high sensitivity, reproducibility and wide dynamic range. High resolution mass spectrometry (HRMS) is a widely practiced technique in ana...

Elmsjö, A. 2017. Selectivity in NMR and LC-MS Metabolomics. The Importance of Sample Preparation and Separation, and how to Measure Selectivity in LC-MS Metabolomics. Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Pharmacy 232. 40 pp. Uppsala: Acta Universitatis Upsaliensis. ISBN 978-91-554-9879-5. Until now, most metabolomics protocols have been optimized towards ...

Lung cancer is the leading cause of cancer-related death. Next-generation metabolomics is becoming a powerful emerging technology for studying the systems biology and chemistry of health and disease. This mini review summarized the main platforms of next-generation metabolomics and its main applications in lung cancer including early diagnosis, pathogenesis, classifications and precision medici...

AIM The aim was to determine if metabolomics could be used to build a predictive model for type 2 diabetes (T2D) risk that would improve prediction of T2D over current risk markers. METHODS Gas chromatography-tandem mass spectrometry metabolomics was used in a nested case-control study based on a screening sample of 64-year-old Caucasian women (n = 629). Candidate metabolic markers of T2D wer...

Prostate cancer (PCa) is the most frequently diagnosed cancer and the second leading cause of cancer death among men in Western countries. Current screening techniques are based on the measurement of serum prostate specific antigen (PSA) levels and digital rectal examination. A decisive diagnosis of PCa is based on prostate biopsies; however, this approach can lead to false-positive and false-n...