Matches in SemOpenAlex for { <https://semopenalex.org/work/W4200469324> ?p ?o ?g. }
Showing items 1 to 63 of
63
with 100 items per page.
- W4200469324 abstract "The study answers to a question: How are 3D molecular and electronic structures; energetics; thermodynamics, kinetics and diffusion of mass spectrometric (MS) ions correlate quantitatively? Despite, irreplaceable application of the mass spectrometry to many interdisciplinary research fields as a robust analytical instrumentation, due to superior method performances, there is a lacuna in this issue, which as yet is not been unambiguously resolved. Our innovative stochastic dynamic (SD) quantitative MS approach has emerged in recent few years and empirically justified in claiming that exact functions among measurable variable intensity of peaks of ions; their 3D molecular and electronic structures, reaction rates, free Gibbs energy and diffusion exist, and the relations behave as our model formulas say. They treat MS variables highly accurately, precisely, selectively, sensitively, and exactly, respectively. It seems clearly that, we must have reliable empirical facts for such claims, because of many MS ionization phenomena are still far from well understood. However, the SD equations provide reasons to think that they might be warranted in moving toward an exact answer to the question. Herein, we provide new empirical facts and pro-arguments, examining ESI(+)-CID-MSn data (n = 1–4) on apigenin-O-glucoside (1) via the SD formulas. The study argues for that the SD theory provides best quantitative explanation of MS observable subtle electronic effects of complex molecules from perspective of electronic structures, exhibiting a set of tautomers, proton and charge transfer effects, like analyte (1). Ab initio and semi-empirical static methods, molecular dynamics and chemometrics were carried out, as well." @default.
- W4200469324 created "2021-12-31" @default.
- W4200469324 creator A5049611769 @default.
- W4200469324 creator A5050311802 @default.
- W4200469324 date "2021-11-02" @default.
- W4200469324 modified "2023-09-26" @default.
- W4200469324 title "Mass spectrometric and quantum chemical treatments of molecular and ionic interactions of apigenine-O-glucoside – stochastic dynamics" @default.
- W4200469324 doi "https://doi.org/10.3390/ecmc2021-11340" @default.
- W4200469324 hasPublicationYear "2021" @default.
- W4200469324 type Work @default.
- W4200469324 citedByCount "3" @default.
- W4200469324 countsByYear W42004693242021 @default.
- W4200469324 countsByYear W42004693242022 @default.
- W4200469324 crossrefType "proceedings-article" @default.
- W4200469324 hasAuthorship W4200469324A5049611769 @default.
- W4200469324 hasAuthorship W4200469324A5050311802 @default.
- W4200469324 hasBestOaLocation W42004693241 @default.
- W4200469324 hasConcept C121332964 @default.
- W4200469324 hasConcept C121864883 @default.
- W4200469324 hasConcept C145148216 @default.
- W4200469324 hasConcept C147597530 @default.
- W4200469324 hasConcept C151304367 @default.
- W4200469324 hasConcept C159467904 @default.
- W4200469324 hasConcept C162356407 @default.
- W4200469324 hasConcept C178790620 @default.
- W4200469324 hasConcept C185592680 @default.
- W4200469324 hasConcept C198291218 @default.
- W4200469324 hasConcept C2182769 @default.
- W4200469324 hasConcept C32848918 @default.
- W4200469324 hasConcept C43617362 @default.
- W4200469324 hasConcept C59593255 @default.
- W4200469324 hasConcept C62520636 @default.
- W4200469324 hasConceptScore W4200469324C121332964 @default.
- W4200469324 hasConceptScore W4200469324C121864883 @default.
- W4200469324 hasConceptScore W4200469324C145148216 @default.
- W4200469324 hasConceptScore W4200469324C147597530 @default.
- W4200469324 hasConceptScore W4200469324C151304367 @default.
- W4200469324 hasConceptScore W4200469324C159467904 @default.
- W4200469324 hasConceptScore W4200469324C162356407 @default.
- W4200469324 hasConceptScore W4200469324C178790620 @default.
- W4200469324 hasConceptScore W4200469324C185592680 @default.
- W4200469324 hasConceptScore W4200469324C198291218 @default.
- W4200469324 hasConceptScore W4200469324C2182769 @default.
- W4200469324 hasConceptScore W4200469324C32848918 @default.
- W4200469324 hasConceptScore W4200469324C43617362 @default.
- W4200469324 hasConceptScore W4200469324C59593255 @default.
- W4200469324 hasConceptScore W4200469324C62520636 @default.
- W4200469324 hasLocation W42004693241 @default.
- W4200469324 hasOpenAccess W4200469324 @default.
- W4200469324 hasPrimaryLocation W42004693241 @default.
- W4200469324 hasRelatedWork W2030031827 @default.
- W4200469324 hasRelatedWork W2079024976 @default.
- W4200469324 hasRelatedWork W2081598578 @default.
- W4200469324 hasRelatedWork W2092964835 @default.
- W4200469324 hasRelatedWork W2158593935 @default.
- W4200469324 hasRelatedWork W2323803549 @default.
- W4200469324 hasRelatedWork W2346305128 @default.
- W4200469324 hasRelatedWork W3144264856 @default.
- W4200469324 hasRelatedWork W4221144999 @default.
- W4200469324 hasRelatedWork W4281654480 @default.
- W4200469324 isParatext "false" @default.
- W4200469324 isRetracted "false" @default.
- W4200469324 workType "article" @default.