AI Article Synopsis
- Human metabolomics studies typically identify only about 10% of the molecular features present in samples.
- The authors propose a new method that uses reference data to match metabolomics tandem mass spectrometry (MS/MS) data against annotated source data, effectively creating a pseudo-MS/MS library.
- This new approach significantly improves the usage of MS/MS spectra by 5.1 times compared to traditional methods, enabling better analysis of dietary patterns from untargeted metabolomic data.
Article Abstract
Human untargeted metabolomics studies annotate only ~10% of molecular features. We introduce reference-data-driven analysis to match metabolomics tandem mass spectrometry (MS/MS) data against metadata-annotated source data as a pseudo-MS/MS reference library. Applying this approach to food source data, we show that it increases MS/MS spectral usage 5.1-fold over conventional structural MS/MS library matches and allows empirical assessment of dietary patterns from untargeted data.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10277029 | PMC |
| http://dx.doi.org/10.1038/s41587-022-01368-1 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Dual-purpose elemental sulfur for capturing and accelerating biodegradation of petroleum hydrocarbons in anaerobic environment.
Water Res X
January 2025
MOE Key Laboratory of Pollution Processes and Environmental Criteria, Tianjin Key Laboratory of Environmental Remediation and Pollution Control, Nankai University, No. 38 Tongyan Road, Jinnan District, Tianjin 300350, PR China.
Hydrophobic organic pollutants in aqueous environments are challenging to biodegrade due to limited contact between microorganisms, the pollutants and the electron acceptor, particularly under anaerobic or anoxic conditions. Here, we propose a novel strategy that uses inexpensive, dual-function elemental sulfur (S) to enhance biodegradation. Using petroleum hydrocarbons as the target pollutants, we demonstrated that hydrophobic and nonpolar S° can concentrate hydrocarbons while simultaneously serving as an electron acceptor to enrich hydrocarbon-degrading bacteria.
View Article and Find Full Text PDFIntegrative metabolomic-proteomic analysis uncovers a new therapeutic approach in targeting rheumatoid arthritis.
Arthritis Res Ther
December 2024
Integrative and Functional Biology Department, Council of Scientific & Industrial Research (CSIR)-Institute of Genomics and Integrative Biology, Mall Road, Delhi University Campus, Delhi, 110007, India.
Objective: Rheumatoid arthritis (RA) is a chronic inflammatory condition that, despite available approaches to manage the disease, lacks an efficient treatment and timely diagnosis. Using the most advanced omics technique, metabolomics and proteomics approach, we explored varied metabolites and proteins to identify unique metabolite-protein signatures involved in the disease pathogenesis of RA.
Methods: Untargeted metabolomics (n = 20) and proteomics (n = 60) of RA patients' plasma were carried out by HPLC/LC-MS/MS and SWATH, respectively and analyzed by Metaboanalyst.
Integrative multi-omic analysis reveals potential biomarkers in the cervicovaginal fluid of patients with placenta accrete spectrum.
BMC Pregnancy Childbirth
December 2024
Department of Obstetrics and Gynecology, Peking University Third Hospital, Beijing, China.
Objective: This study aimed to detect the proteins and metabolites in the cervicovaginal fluid to observe their relationship with the occurrence of placenta accreta spectrum and the potential biomarkers with predictive value.
Methods: Cervicovaginal fluid samples were collected before delivery from 6 participants of PAS and 6 controls subjects with similar gestational ages. The severity of PAS was evaluated by ultrasound and MRI scoring system and confirmed by the intraoperative findings or pathological examination.
Lc-ms-based untargeted metabolomics reveals potential mechanisms of histologic chronic inflammation promoting prostate hyperplasia.
PLoS One
December 2024
Clinical Medical College, North China University of Science and Technology, Tangshan, China.
Background: Chronic prostatitis may be a risk factor for developing proliferative changes in the prostate, although the underlying mechanisms are not entirely comprehended.
Materials And Methods: Fifty individual prostate tissues were examined in this study, consisting of 25 patients diagnosed with prostatic hyperplasia combined with histologic chronic inflammation and 25 patients diagnosed with prostatic hyperplasia alone. We employed UPLC-Q-TOF-MS-based untargeted metabolomics using ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry to identify differential metabolites that can reveal the mechanisms that underlie the promotion of prostate hyperplasia by histologic chronic inflammation.
Targeted and untargeted cross-sectional study for sex-specific identification of plasma biomarkers of COVID-19 severity.
Anal Bioanal Chem
December 2024
Departamento de Análisis Instrumental, Facultad de Farmacia, Universidad de Concepción, Concepción, Chile.
Coronavirus disease 2019 is a highly contagious respiratory illness caused by the coronavirus SARS-CoV-2. Symptoms can range from mild to severe and typically appear 2-14 days after virus exposure. While vaccination has significantly reduced the incidence of severe complications, strategies for the identification of new biomarkers to assess disease severity remains a critical area of research.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!