Metabolomics approach based on utra‐performance liquid chromatography coupled to mass spectrometry with chemometrics methods for high‐throughput analysis of metabolite biomarkers to explore the abnormal metabolic pathways associated with myocardial dysfunction

Abstract

Ultra‐performance liquid chromatography/mass spectrometry‐based metabolomics can been used for discovery of metabolite biomarkers to explore the metabolic pathway of diseases. Identification of metabolic pathways is key to understanding the pathogenesis and mechanism of disease. Myocardial dysfunction induced by sepsis (SMD) is a severe complication of septic shock and represents major causes of death in intensive care units; however its pathological mechanism is still not clear. In this study, ultrahigh‐pressure liquid chromatography with mass spectrometry‐based metabolomics with chemometrics anaylsis and multivariate pattern recognition analysis were used to detect urinary metabolic profile changes in a lipopolysaccharide‐induced SMD mouse model. Multivariate statistical analysis including principal component analysis and orthogonapartial least squares discriminant analysis for the discrimination of SMD was conducted to identify potential biomarkers. A total of 19 differential metabolites were discovered by high‐resolution mass spectrometry‐based urinary metabolomics strategy. The altered biochemical pathways based on these metabolites showed that tyrosine metabolism, phenylalanine metabolism, ubiquinone biosynthesis and vitamin B6 metabolism were closely connected to the pathological processes of SMD. Consequently, integrated chemometric analyses of these metabolic pathways are necessary to extract information for the discovery of novel insights into the pathogenesis of disease.

High-Throughput Metabolomics Discovers Metabolic Biomarkers and Pathways to Evaluating the Efficacy and Exploring Potential Mechanisms of Osthole Against Osteoporosis Based on UPLC/Q-TOF-MS Coupled With Multivariate Data Analysis

“…Metabolomics as an instantly emerging “omics” device points to qualitative and quantitative analysis of endogenic small metabolites in cells, tissues, organs or biological fluids, and help understand the metabolomic profiling changes indicating the details of the underlying pathways in response to endogenous and exogenous impetus, such as food, drug, and pathogen ( Sakaguchi et al, 2019 ; Xie et al, 2019 ; Xiong et al, 2019 ). Recently, modern high-throughput technology including nuclear magnetic resonance spectroscopy (NMR), gas chromatography mass spectrometry (GC-MS), liquid chromatography mass spectrometry (LC-MS), or capillary electro-phoresis mass spectrometry (CE-MS) coupled with multivariate analysis was successfully performed multiparametric metabolic responses to pathophysiological and environmental perturbations in metabolomics research ( Sun et al, 2013b ; Zhang et al, 2017 ; Sun et al, 2019 ; Zhao et al, 2020 ). It has been widely used in early diagnosis, disease staging, and treatment evaluation of osteoporosis ( Lv et al, 2016 ; Zhao et al, 2018 ; Xia et al, 2019 ; Zhang et al, 2019 ; Ye et al, 2020 ).…”

Extracting Information and Enhancing the Quality of Separation Data: A Review on Chemometrics-Assisted Analysis of Volatile, Soluble and Colloidal Samples

“…Moreover, they can be non-invasive for the patients if carried out on urine or saliva, which should be greatly encouraged, and the use of chemometric tools becomes crucial to evaluate the contemporary effect of several metabolites. In this sense, Zhao et al [116] used PCA and OPLS-DA in a preliminary search for metabolite biomarkers to explore the abnormal urinary metabolic pathways associated with myocardial dysfunction. Similarly, Yao et al [117] used PCA and PLS-DA on HPLC-MS data to investigate the effect of an hepatoprotective treatment in liver-injured rats, finding differences in metabolic pathways of plasma and urine.…”

Comprehensive Evaluation of Caloric Restriction-Induced Changes In The Metabolome Profile of Mice

“…Gas chromatography-mass spectrometry (GC-MS), liquid chromatography or capillary electrophoresis coupled with MS (LC-MS/CE-MS), and nuclear magnetic resonance (NMR) are tools for high-throughput screening of biomarkers and metabolite pro ling that are increasingly being applied to medical diagnostics [7][8][9]. Metabolomic analysis using these methods allows evaluation of changes in the relative abundance of low molecular weight metabolites such as amino acids (AAs), fatty acids (FAs), amines, organic acids, and nucleosides in physiologic and pathologic contexts.…”