Stratification of follicular thyroid tumours using data‐independent acquisition proteomics and a comprehensive thyroid tissue spectral library
Sign Up to like & getrecommendations! Published in 2022 at "Molecular Oncology"
DOI: 10.1002/1878-0261.13198
Abstract: Thyroid nodules occur in about 60% of the population. A major challenge in thyroid nodule diagnosis is to distinguish between follicular adenoma (FA) and carcinoma (FTC). Here, we present a comprehensive thyroid spectral library covering… read more here.
Keywords: thyroid; comprehensive thyroid; thyroid tumours; follicular thyroid ... See more keywords
The Generation of a Comprehensive Spectral Library for the Analysis of the Guinea Pig Proteome by SWATH‐MS
Sign Up to like & getrecommendations! Published in 2019 at "Proteomics"
DOI: 10.1002/pmic.201900156
Abstract: Advances in liquid chromatography‐mass spectrometry have facilitated the incorporation of proteomic studies to many biology experimental workflows. Data‐independent acquisition platforms, such as sequential window acquisition of all theoretical mass spectra (SWATH‐MS), offer several advantages for… read more here.
Keywords: guinea; guinea pig; comprehensive spectral; swath ... See more keywords
Pharmaceutical metabolite identification in lettuce (Lactuca sativa) and earthworms (Eisenia fetida) using liquid chromatography coupled to high-resolution mass spectrometry and in silico spectral library
Sign Up to like & getrecommendations! Published in 2024 at "Analytical and Bioanalytical Chemistry"
DOI: 10.1007/s00216-024-05515-2
Abstract: Pharmaceuticals released into the aquatic and soil environments can be absorbed by plants and soil organisms, potentially leading to the formation of unknown metabolites that may negatively affect these organisms or contaminate the food chain.… read more here.
Keywords: mass spectrometry; eisenia fetida; metabolite; mass ... See more keywords
BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds.
Sign Up to like & getrecommendations! Published in 2020 at "Phytochemistry"
DOI: 10.1016/j.phytochem.2020.112427
Abstract: The Bioinformatics & Molecular Design Research Center Mass Spectral Library - Natural Products (BMDMS-NP) is a library containing the mass spectra of natural compounds, especially plant specialized metabolites. At present, the library contains the electrospray… read more here.
Keywords: natural compounds; esi spectral; bmdms comprehensive; comprehensive esi ... See more keywords
Discovery of N-Acyl Amino Acids and Novel Related N-, O-Acyl Lipids by Integrating Molecular Networking and an Extended In Silico Spectral Library.
Sign Up to like & getrecommendations! Published in 2023 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.2c04822
Abstract: Research on novel bioactive lipids has garnered increasing interest. Although lipids can be identified by searching mass spectral libraries, the discovery of novel lipids remains challenging as the query spectra of such lipids are not… read more here.
Keywords: spectral library; acyl lipids; extended silico; molecular networking ... See more keywords
An In Silico Infrared Spectral Library of Molecular Ions for Metabolite Identification.
Sign Up to like & getrecommendations! Published in 2023 at "Analytical chemistry"
DOI: 10.1021/acs.analchem.3c01078
Abstract: Infrared ion spectroscopy (IRIS) continues to see increasing use as an analytical tool for small-molecule identification in conjunction with mass spectrometry (MS). The IR spectrum of an m/z selected population of ions constitutes a unique… read more here.
Keywords: infrared spectral; identification; spectral library; molecular ions ... See more keywords
Discovery of Glycation Products: Unraveling the Unknown Glycation Space Using a Mass Spectral Library from In Vitro Model Systems
Sign Up to like & getrecommendations! Published in 2024 at "Analytical Chemistry"
DOI: 10.1021/acs.analchem.3c05540
Abstract: The nonenzymatic reaction between amino acids (AAs) and reducing sugars, also known as the Maillard reaction, is the primary source of free glycation products (GPs) in vivo and in vitro. The limited number of MS/MS… read more here.
Keywords: glycation products; gps; mass spectral; glycation ... See more keywords
Fourier-Transform Infrared Spectral Library of MXenes
Sign Up to like & getrecommendations! Published in 2024 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.4c01536
Abstract: Fourier-transform infrared (FTIR) spectroscopy characterization is a powerful and easy-to-use technique frequently employed for the characterization and fingerprinting of materials. Although MXenes are a large and fastest growing family of inorganic 2D materials, the lack… read more here.
Keywords: spectroscopy; fourier transform; ftir spectroscopy; transform infrared ... See more keywords
Mass Spectral Library for DNA Adductomics.
Sign Up to like & getrecommendations! Published in 2024 at "Chemical research in toxicology"
DOI: 10.1021/acs.chemrestox.3c00302
Abstract: Endogenous electrophiles, ionizing and non-ionizing radiation, and hazardous chemicals present in the environment and diet can damage DNA by forming covalent adducts. DNA adducts can form in critical cancer driver genes and, if not repaired,… read more here.
Keywords: dna adducts; mass spectral; dna adductomics; dna adduct ... See more keywords
Investigation of Effects of the Spectral Library on Analysis of diaPASEF Data.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of proteome research"
DOI: 10.1021/acs.jproteome.1c00899
Abstract: Targeted analysis of data-independent acquisition (DIA) data needs a spectral library, which is generated by data-dependent acquisition (DDA) experiments or directly from DIA data. A comparison of the DDA library and DIA library in analyzing… read more here.
Keywords: dia data; spectral library; diapasef data; analysis diapasef ... See more keywords
Sensitive and Specific Spectral Library Searching with CompOmics Spectral Library Searching Tool and Percolator.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of proteome research"
DOI: 10.1021/acs.jproteome.2c00075
Abstract: Maintaining high sensitivity while limiting false positives is a key challenge in peptide identification from mass spectrometry data. Here, we investigate the effects of integrating the machine learning-based postprocessor Percolator into our spectral library searching… read more here.
Keywords: spectral library; percolator; compomics spectral; searching tool ... See more keywords