Zobrazeno 1 - 10
of 93
pro vyhledávání: '"David F. Grant"'
Autor:
Caroline H. Johnson, Toby J. Athersuch, Gwen W. Collman, Suraj Dhungana, David F. Grant, Dean P. Jones, Chirag J. Patel, Vasilis Vasiliou
Publikováno v:
Human Genomics, Vol 11, Iss 1, Pp 1-8 (2017)
Abstract The exposome is defined as “the totality of environmental exposures encountered from birth to death” and was developed to address the need for comprehensive environmental exposure assessment to better understand disease etiology. Due to
Externí odkaz:
https://doaj.org/article/e2150a20689a411f9b015b823034d8d5
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 5, Iss 6 (2013)
The identification of compounds in complex mixtures remains challenging despite recent advances in analytical techniques. At present, no single method can detect and quantify the vast array of compounds that might be of potential interest in metabolo
Externí odkaz:
https://doaj.org/article/b9082faa5b5a4a2a8d9b32f5ea198a82
Publikováno v:
Metabolites, Vol 6, Iss 2, p 17 (2016)
Metabolite structure identification remains a significant challenge in nontargeted metabolomics research. One commonly used strategy relies on searching biochemical databases using exact mass. However, this approach fails when the database does not c
Externí odkaz:
https://doaj.org/article/ffc439b59be541c7b6e797042d03640e
Autor:
David F. Grant, Dennis W. Hill, Stefan Grimme, Philipp Pracht, Erandika Karunaratne, José A. Gascón
Publikováno v:
Anal Chem
The high-throughput identification of unknown metabolites in biological samples remains challenging. Most current non-targeted metabolomics studies rely on mass spectrometry, followed by computational methods that rank thousands of candidate structur
Publikováno v:
Anal Chem
Liquid chromatography coupled with electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) is a major analytical technique used for nontargeted identification of metabolites in biological fluids. Typically, in LC-ESI-MS/MS based database assi
Publikováno v:
J Chem Theory Comput
Vibrational spectroscopy is a valuable and widely used analytical tool for the characterization of chemical substances. We investigate the performance of semiempirical quantum mechanical GFN tight-binding and force-field methods for the calculation o
Publikováno v:
Methods in Molecular Biology ISBN: 9781071600290
Structure elucidation of metabolites (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cac8ee1f38da2864d42a8029e693e856
https://doi.org/10.1007/978-1-0716-0030-6_18
https://doi.org/10.1007/978-1-0716-0030-6_18
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 2084
Structure elucidation of metabolites (1000 Da) in biofluids is extremely challenging due to the diversity and complexity of chemical structure space. Generally, due to lack of reference tandem mass data (MS
Autor:
Suraj Dhungana, Chirag J. Patel, Dean P. Jones, Vasilis Vasiliou, Caroline H. Johnson, David F. Grant, Toby J. Athersuch, Gwen W. Collman
Publikováno v:
Human Genomics, Vol 11, Iss 1, Pp 1-8 (2017)
Human Genomics
Human Genomics
The exposome is defined as “the totality of environmental exposures encountered from birth to death” and was developed to address the need for comprehensive environmental exposure assessment to better understand disease etiology. Due to the compl
Autor:
Lowell H. Hall, Shannon Cawley, David F. Grant, Dennis W. Hill, Ming-Hui Chen, Kelly Bugden, L. Mark Hall
Publikováno v:
J Chem Inf Model
The MolFind application has been developed as a nontargeted metabolomics chemometric tool to facilitate structure identification when HPLC biofluids analysis reveals a feature of interest. Here synthetic compounds are selected and measured to form th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9583f106aac7b950af47f0b521c49611
https://europepmc.org/articles/PMC8404481/
https://europepmc.org/articles/PMC8404481/