FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2170047209> ?p ?o ?g. }

• W2170047209 endingPage "1050" @default.
• W2170047209 startingPage "1045" @default.
• W2170047209 abstract "Esomeprazole analogs are a class of important proton pump inhibitors for the treatment of gastro-esophageal reflux diseases. Understanding the fragmentation reaction mechanism of the protonated esomeprazole analogs will facilitate the characterization of their complex metabolic fate in humans. In this paper, the kinetic method and theoretical calculations were applied to evaluate the fragmentation of protonated esomeprazole analogs.All collision-induced dissociation (CID) mass spectrometry experiments were carried out using electrospray ionization (ESI) ion trap mass spectrometry in positive ion mode. Also the accurate masses of fragments were measured on by ESI quadrupole time-of-flight (QTOF) MS in positive ion mode. Theoretical calculations were carried out by the density functional theory (DFT) method with the 6-31G(d) basis set in the Gaussian 03 program.In the fragmentation of the protonated esomeprazole analogs, C-S bond breakage is observed, which gives rise to protonated 2-(sulfinylmethylene)pyridines and protonated benzimidazoles. DFT calculations demonstrate that the nitrogen atom of the pyridine part is the thermodynamically most favorable protonation site, and the C-S bond cleavage is triggered by the transfer of this ionizing proton from the nitrogen atom of the pyridine part to the carbon atom of the benzimidazole part to which the sulfinyl is attached. Moreover, with the kinetic plot, the intensity ratios of two protonated product ions yield a linear relationship with the differences in proton affinities of the corresponding neutral molecules, which provides strong experimental evidence that the reaction proceeds via proton-bound 2-(sulfinylmethylene)pyridine/benzimidazole complex intermediates.The kinetic method combined with theoretical calculations was successfully applied to probe the proton transfer reaction by proton-bound 2-(sulfinylmethylene)pyridine/benzimidazole complexes in the fragmentation of protonated esomeprazole analogs by ESI CID MS, which is a strong evidence that the kinetic method can be applied in identifying a proton-bound dimeric intermediate in the fragmentation of protonated ions." @default.
• W2170047209 created "2016-06-24" @default.
• W2170047209 creator A5001367448 @default.
• W2170047209 creator A5041403989 @default.
• W2170047209 creator A5044031273 @default.
• W2170047209 creator A5052024318 @default.
• W2170047209 creator A5055213066 @default.
• W2170047209 creator A5056305313 @default.
• W2170047209 creator A5073215933 @default.
• W2170047209 date "2014-03-25" @default.
• W2170047209 modified "2023-10-05" @default.
• W2170047209 title "Identifying the proton transfer reaction mechanism via a proton-bound dimeric intermediate for esomeprazoles by a kinetic method combined with density functional theory calculations" @default.
• W2170047209 cites W1563715901 @default.
• W2170047209 cites W1596967597 @default.
• W2170047209 cites W1601342989 @default.
• W2170047209 cites W1603263504 @default.
• W2170047209 cites W1842905390 @default.
• W2170047209 cites W1992058328 @default.
• W2170047209 cites W2002745817 @default.
• W2170047209 cites W2008555016 @default.
• W2170047209 cites W2016127056 @default.
• W2170047209 cites W2018019041 @default.
• W2170047209 cites W2018068732 @default.
• W2170047209 cites W2052496154 @default.
• W2170047209 cites W2060175878 @default.
• W2170047209 cites W2060374353 @default.
• W2170047209 cites W2065879217 @default.
• W2170047209 cites W2079431335 @default.
• W2170047209 cites W2110397939 @default.
• W2170047209 cites W2110840954 @default.
• W2170047209 cites W2125971898 @default.
• W2170047209 cites W2131240425 @default.
• W2170047209 cites W2150752593 @default.
• W2170047209 doi "https://doi.org/10.1002/rcm.6877" @default.
• W2170047209 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24677526" @default.
• W2170047209 hasPublicationYear "2014" @default.
• W2170047209 type Work @default.
• W2170047209 sameAs 2170047209 @default.
• W2170047209 citedByCount "4" @default.
• W2170047209 countsByYear W21700472092015 @default.
• W2170047209 countsByYear W21700472092018 @default.
• W2170047209 countsByYear W21700472092022 @default.
• W2170047209 crossrefType "journal-article" @default.
• W2170047209 hasAuthorship W2170047209A5001367448 @default.
• W2170047209 hasAuthorship W2170047209A5041403989 @default.
• W2170047209 hasAuthorship W2170047209A5044031273 @default.
• W2170047209 hasAuthorship W2170047209A5052024318 @default.
• W2170047209 hasAuthorship W2170047209A5055213066 @default.
• W2170047209 hasAuthorship W2170047209A5056305313 @default.
• W2170047209 hasAuthorship W2170047209A5073215933 @default.
• W2170047209 hasConcept C111233374 @default.
• W2170047209 hasConcept C111919701 @default.
• W2170047209 hasConcept C121332964 @default.
• W2170047209 hasConcept C145148216 @default.
• W2170047209 hasConcept C147597530 @default.
• W2170047209 hasConcept C152365726 @default.
• W2170047209 hasConcept C155647269 @default.
• W2170047209 hasConcept C162356407 @default.
• W2170047209 hasConcept C176107965 @default.
• W2170047209 hasConcept C178790620 @default.
• W2170047209 hasConcept C185592680 @default.
• W2170047209 hasConcept C191015642 @default.
• W2170047209 hasConcept C2779485729 @default.
• W2170047209 hasConcept C30095370 @default.
• W2170047209 hasConcept C31827203 @default.
• W2170047209 hasConcept C32909587 @default.
• W2170047209 hasConcept C40684141 @default.
• W2170047209 hasConcept C41008148 @default.
• W2170047209 hasConcept C43617362 @default.
• W2170047209 hasConcept C53323650 @default.
• W2170047209 hasConcept C54516573 @default.
• W2170047209 hasConcept C62520636 @default.
• W2170047209 hasConcept C71240020 @default.
• W2170047209 hasConceptScore W2170047209C111233374 @default.
• W2170047209 hasConceptScore W2170047209C111919701 @default.
• W2170047209 hasConceptScore W2170047209C121332964 @default.
• W2170047209 hasConceptScore W2170047209C145148216 @default.
• W2170047209 hasConceptScore W2170047209C147597530 @default.
• W2170047209 hasConceptScore W2170047209C152365726 @default.
• W2170047209 hasConceptScore W2170047209C155647269 @default.
• W2170047209 hasConceptScore W2170047209C162356407 @default.
• W2170047209 hasConceptScore W2170047209C176107965 @default.
• W2170047209 hasConceptScore W2170047209C178790620 @default.
• W2170047209 hasConceptScore W2170047209C185592680 @default.
• W2170047209 hasConceptScore W2170047209C191015642 @default.
• W2170047209 hasConceptScore W2170047209C2779485729 @default.
• W2170047209 hasConceptScore W2170047209C30095370 @default.
• W2170047209 hasConceptScore W2170047209C31827203 @default.
• W2170047209 hasConceptScore W2170047209C32909587 @default.
• W2170047209 hasConceptScore W2170047209C40684141 @default.
• W2170047209 hasConceptScore W2170047209C41008148 @default.
• W2170047209 hasConceptScore W2170047209C43617362 @default.
• W2170047209 hasConceptScore W2170047209C53323650 @default.
• W2170047209 hasConceptScore W2170047209C54516573 @default.
• W2170047209 hasConceptScore W2170047209C62520636 @default.
• W2170047209 hasConceptScore W2170047209C71240020 @default.
• W2170047209 hasIssue "9" @default.
• W2170047209 hasLocation W21700472091 @default.

• next