iMet: A computational tool for structural annotation of unknown metabolites from tandem mass spectra [PDF]
, 2016 Untargeted metabolomic studies are revealing large numbers of naturally occurring metabolites that cannot be characterized because their chemical structures and MS/MS spectra are not available in databases. Here we present iMet, a computational tool based on experimental tandem mass spectrometry that could potentially allow the annotation of ...
arxiv +1 more source
Mucin glycosylation and sulphation in airway epithelial cells is not influenced by cystic fibrosis transmembrane conductance regulator expression [PDF]
, 2005 Abnormalities in mucus properties and clearance make a major contribution to the pathology of cystic fibrosis (CF). Our aim was to test the hypothesis that the defects in CF mucus are a direct result of mutations in the CF transmembrane conductance ...
Dell, Anne +6 more
core +1 more source
Statistical Characterization of a 1D Random Potential Problem - with applications in score statistics of MS-based peptide sequencing [PDF]
, 2008 We provide a complete thermodynamic solution of a 1D hopping model in the presence of a random potential by obtaining the density of states. Since the partition function is related to the density of states by a Laplace transform, the density of states determines completely the thermodynamic behavior of the system.
arxiv +1 more source
Bidimensional Tandem Mass Spectrometry for Selective Identification of Nitration Sites in Proteins. [PDF]
, 2007 Nitration of protein tyrosine residues is very often regarded as a molecular signal of peroxynitrite formation during development, oxidative stress, and aging.
AMORESANO, ANGELA +4 more
core +1 more source
Analytical Chemistry, 2015 MicroRNAs (miRNAs) are small noncoding RNAs that regulate gene networks and participate in many physiological and pathological pathways. To date, miRNAs have been characterized mostly by genetic technologies, which have the advantages of being very ...
H. Nakayama +3 more
semanticscholar +1 more source
PLoS ONE, 2019 Canine oral tumors are relatively common neoplasms in dogs. For disease monitoring and early diagnosis, salivary biomarkers are appropriate because saliva collection is non-invasive and requires no professional skills.
Sekkarin Ploypetch +5 more
doaj +1 more source
Liquid Chromatography Tandem Mass Spectrometry Quantification of 13C-Labeling in Sugars
Metabolites, 2020 Subcellular compartmentation has been challenging in plant 13C-metabolic flux analysis. Indeed, plant cells are highly compartmented: they contain vacuoles and plastids in addition to the regular organelles found in other eukaryotes.
Jean-Christophe Cocuron +2 more
doaj +1 more source
MassFormer: Tandem Mass Spectrum Prediction for Small Molecules using Graph Transformers [PDF]
arXiv, 2021 Tandem mass spectra capture fragmentation patterns that provide key structural information about a molecule. Although mass spectrometry is applied in many areas, the vast majority of small molecules lack experimental reference spectra. For over seventy years, spectrum prediction has remained a key challenge in the field.
arxiv
Tandem Mass Spectrometry in Newborn Screening
, 2004 Since 1961 newborn screening for errors of metabolism (EM) has improved the diagnosis, treatment and outcome of newborns with an EM. Recently, advances in laboratory technology with tandem mass spectrometry (MS/MS) has increased the identification of ...
Banta-Wright, Sandra, Steiner, Robert
core +1 more source
Coupling electron capture dissociation and the modified Kendrick mass defect for sequencing of a poly(2-ethyl-2-oxazoline) polymer [PDF]
, 2018 With increasing focus on the structural elucidation of polymers, advanced tandem mass spectrometry techniques will play a crucial role in the characterization of these compounds.
Barrow, Mark P. +6 more
core +3 more sources