Software and computational tools for LC-MS-based epilipidomics: Challenges and solutions

T Damiani, S Bonciarelli, GG Thallinger… - Analytical …, 2023 - ACS Publications
Lipids play a crucial role in cellular structure and functions, including cell signaling,
membrane plasticity, and trafficking. Alterations of the lipid composition in cells, tissues, or …

Phosphoinositides in autophagy: current roles and future insights

L Palamiuc, A Ravi, BM Emerling - The FEBS journal, 2020 - Wiley Online Library
Today, the importance of autophagy in physiological processes and pathological conditions
is undeniable. Initially, autophagy merely was described as an evolutionarily conserved …

Phospholipid removal for enhanced chemical exposomics in human plasma

K Sdougkou, H **e, S Papazian… - Environmental …, 2023 - ACS Publications
The challenge of chemical exposomics in human plasma is the 1000-fold concentration gap
between endogenous substances and environmental pollutants. Phospholipids are the …

A relative quantitative positive/negative ion switching method for untargeted lipidomics via high resolution LC-MS/MS from any biological source

SB Breitkopf, SJH Ricoult, M Yuan, Y Xu, DA Peake… - Metabolomics, 2017 - Springer
Introduction Advances in high-resolution mass spectrometry have created renewed interest
for studying global lipid biochemistry in disease and biological systems. Objectives Here, we …

Flow cytometry has a significant impact on the cellular metabolome

A Binek, D Rojo, J Godzien, FJ Rupérez… - Journal of proteome …, 2018 - ACS Publications
The characterization of specialized cell subpopulations in a heterogeneous tissue is
essential for understanding organ function in health and disease. A popular method of cell …

Untargeted metabolomics and inflammatory markers profiling in children with Crohn's disease and ulcerative colitis—A preliminary study

U Daniluk, J Daniluk, R Kucharski… - Inflammatory Bowel …, 2019 - academic.oup.com
Background Metabolic profiling might be used to identify disease biomarkers. The aim of our
study was to determine the usefulness of untargeted metabolomics analysis to detect …

Comprehensive characterization of bovine milk lipids: Phospholipids, sphingolipids, glycolipids, and ceramides

Z Liu, C Li, J Pryce, S Rochfort - Journal of agricultural and food …, 2020 - ACS Publications
A comprehensive survey on phospholipids (PLs), sphingolipids, glycolipids, and ceramides
(Cer) of bovine milk was conducted by liquid chromatography tandem-mass spectrometry. A …

Automated annotation of untargeted all-ion fragmentation LC–MS metabolomics data with MetaboAnnotatoR

G Graca, Y Cai, CHE Lau, PA Vorkas… - Analytical …, 2022 - ACS Publications
Untargeted metabolomics and lipidomics LC–MS experiments produce complex datasets,
usually containing tens of thousands of features from thousands of metabolites whose …

Knowledge-based metabolite annotation tool: CEU Mass Mediator

AG de la Fuente, J Godzien, MF López… - … of pharmaceutical and …, 2018 - Elsevier
Abstract CEU Mass Mediator (CMM) is an on-line tool for aiding researchers when
performing metabolite annotation. Its database is comprised of 279,318 real compounds …

Assessment of lemon juice adulteration by targeted screening using LC-UV-MS and untargeted screening using UHPLC-QTOF/MS with machine learning

W Lyu, B Yuan, S Liu, JE Simon, Q Wu - Food chemistry, 2022 - Elsevier
The aim of this work was to develop an approach combining LC-MS-based metabolomics
and machine learning to distinguish between and predict authentic and adulterated lemon …