Reference-standard free metabolite identification using infrared ion spectroscopy
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Mass Spectrometry"
DOI: 10.1016/j.ijms.2019.05.015
Abstract: Abstract Liquid chromatography-mass spectrometry (LC-MS) is, due to its high sensitivity and selectivity, currently the method of choice in (bio)analytical studies involving the (comprehensive) profiling of metabolites in body fluids. However, as closely related isomers… read more here.
Keywords: reference; spectroscopy; free metabolite; metabolite identification ... See more keywords
Leveraging the HMBC to Facilitate Metabolite Identification.
Sign Up to like & getrecommendations! Published in 2022 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.2c02902
Abstract: The accuracy and ease of metabolite assignments from a complex mixture are expected to be facilitated by employing a multispectral approach. The two-dimensional (2D) 1H-13C heteronuclear single quantum coherence (HSQC) and 2D 1H-1H-total correlation spectroscopy… read more here.
Keywords: metabolite assignments; leveraging hmbc; metabolite identification; metabolite ... See more keywords
PICA: Pixel Intensity Correlation Analysis for Deconvolution and Metabolite Identification in Mass Spectrometry Imaging
Sign Up to like & getrecommendations! Published in 2023 at "Analytical Chemistry"
DOI: 10.1021/acs.analchem.2c04778
Abstract: In-source fragmentation (ISF) is a naturally occurring phenomenon in various ion sources including soft ionization techniques such as matrix-assisted laser desorption/ionization (MALDI). It has traditionally been minimized as it makes the dataset more complex and… read more here.
Keywords: pica pixel; identification; pica; correlation ... See more keywords
Development of a Liquid Chromatography-High Resolution Mass Spectrometry Metabolomics Method with High Specificity for Metabolite Identification Using All Ion Fragmentation Acquisition.
Sign Up to like & getrecommendations! Published in 2017 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.7b00925
Abstract: High-resolution mass spectrometry (HRMS)-based metabolomics approaches have made significant advances. However, metabolite identification is still a major challenge with significant bottleneck in translating metabolomics data into biological context. In the current study, a liquid chromatography… read more here.
Keywords: high resolution; mass; metabolite identification; ion ... See more keywords
Fast Metabolite Identification in Nuclear Magnetic Resonance Metabolomic Studies: Statistical Peak Sorting and Peak Overlap Detection for More Reliable Database Queries.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of proteome research"
DOI: 10.1021/acs.jproteome.7b00617
Abstract: A lot of time is spent by researchers in the identification of metabolites in NMR-based metabolomic studies. The usual metabolite identification starts employing public or commercial databases to match chemical shifts thought to belong to… read more here.
Keywords: peak overlap; detection; database; metabolite identification ... See more keywords
Recent advances and prospects of computational methods for metabolite identification: a review with emphasis on machine learning approaches
Sign Up to like & getrecommendations! Published in 2019 at "Briefings in Bioinformatics"
DOI: 10.1093/bib/bby066
Abstract: Abstract Motivation: Metabolomics involves studies of a great number of metabolites, which are small molecules present in biological systems. They play a lot of important functions such as energy transport, signaling, building block of cells… read more here.
Keywords: machine; machine learning; metabolite identification; advances prospects ... See more keywords
An Investigation on Glucuronidation Metabolite Identification, Isozyme Contribution, and Species Differences of GL-V9 In Vitro and In Vivo
Sign Up to like & getrecommendations! Published in 2019 at "Molecules"
DOI: 10.3390/molecules24081576
Abstract: GL-V9 is a prominent derivative of wogonin with a wide therapeutic spectrum and potent anti-tumor activity. The metabolism characteristics of GL-V9 remain unclear. This study aimed to clarify the metabolic pathway of GL-V9 and investigate… read more here.
Keywords: vitro vivo; glucuronidation; metabolism; metabolite identification ... See more keywords
Pharmacokinetic Study and Metabolite Identification of CAM106 in Rats by Validated UHPLC-MS/MS
Sign Up to like & getrecommendations! Published in 2023 at "Pharmaceuticals"
DOI: 10.3390/ph16050728
Abstract: Given the limitations of existing antiviral drugs and vaccines, there is still an urgent need for new anti-influenza drugs. CAM106, a rupestonic acid derivative, was studied for its potent antiviral activity and showed a favorable… read more here.
Keywords: pharmacokinetic study; study metabolite; cam106; metabolite identification ... See more keywords