Machine learning applications for mass spectrometry-based metabolomics

UW Liebal, ANT Phan, M Sudhakar, K Raman… - Metabolites, 2020 - mdpi.com
The metabolome of an organism depends on environmental factors and intracellular
regulation and provides information about the physiological conditions. Metabolomics helps …

Current approaches and challenges for the metabolite profiling of complex natural extracts

JL Wolfender, G Marti, A Thomas, S Bertrand - Journal of Chromatography …, 2015 - Elsevier
Metabolite profiling is critical in many aspects of the life sciences, particularly natural product
research. Obtaining precise information on the chemical composition of complex natural …

Analysis of the human adult urinary metabolome variations with age, body mass index, and gender by implementing a comprehensive workflow for univariate and …

EA Thévenot, A Roux, Y Xu, E Ezan… - Journal of proteome …, 2015 - ACS Publications
Urine metabolomics is widely used for biomarker research in the fields of medicine and
toxicology. As a consequence, characterization of the variations of the urine metabolome …

Evidence for intramyocardial disruption of lipid metabolism and increased myocardial ketone utilization in advanced human heart failure

KC Bedi Jr, NW Snyder, J Brandimarto, M Aziz… - Circulation, 2016 - Am Heart Assoc
Background—The failing human heart is characterized by metabolic abnormalities, but
these defects remains incompletely understood. In animal models of heart failure there is a …

Metabolomics: A way forward for crop improvement

A Razzaq, B Sadia, A Raza, M Khalid Hameed… - Metabolites, 2019 - mdpi.com
Metabolomics is an emerging branch of “omics” and it involves identification and
quantification of metabolites and chemical footprints of cellular regulatory processes in …

Nutrimetabolomics: an integrative action for metabolomic analyses in human nutritional studies

MM Ulaszewska, CH Weinert… - Molecular nutrition & …, 2019 - Wiley Online Library
The life sciences are currently being transformed by an unprecedented wave of
developments in molecular analysis, which include important advances in instrumental …

Metabolite induction via microorganism co-culture: a potential way to enhance chemical diversity for drug discovery

S Bertrand, N Bohni, S Schnee, O Schumpp… - Biotechnology …, 2014 - Elsevier
Microorganisms have a long track record as important sources of novel bioactive natural
products, particularly in the field of drug discovery. While microbes have been shown to …

Interactive XCMS Online: simplifying advanced metabolomic data processing and subsequent statistical analyses

H Gowda, J Ivanisevic, CH Johnson… - Analytical …, 2014 - ACS Publications
XCMS Online (xcmsonline. scripps. edu) is a cloud-based informatic platform designed to
process and visualize mass-spectrometry-based, untargeted metabolomic data. Initially, the …

Occurrence of pharmaceuticals and personal care products in effluent-dominated Saudi Arabian coastal waters of the Red Sea

AM Ali, HT Rønning, W Alarif, R Kallenborn… - Chemosphere, 2017 - Elsevier
The occurrence of selected pharmaceuticals and personal care products (PPCPs) and the
pesticide atrazine were investigated in seawater samples collected from stations located at …

[PDF][PDF] Serum metabolites as diagnostic biomarkers for cholangiocarcinoma, hepatocellular carcinoma, and primary sclerosing cholangitis

JM Banales, M Iñarrairaegui, A Arbelaiz… - …, 2019 - Wiley Online Library
Early and differential diagnosis of intrahepatic cholangiocarcinoma (iCCA) and
hepatocellular carcinoma (HCC) by noninvasive methods represents a current clinical …