Matches in SemOpenAlex for { <https://semopenalex.org/work/W2896768429> ?p ?o ?g. }
- W2896768429 endingPage "16658" @default.
- W2896768429 startingPage "16654" @default.
- W2896768429 abstract "Many HNO-scavenging pathways exist to regulate its biological and pharmacological activities. Such reactions often involve ferric heme proteins and form an important basis for HNO probe development. However, mechanisms of HNO reactions with ferric heme proteins are largely unknown. We performed a computational investigation using metmyoglobin and catalase as representative ferric heme proteins with neutral and negatively charged axial ligands to provide the first detailed pathways. The results reproduced experimental barriers well with an average error of 0.11 kcal mol-1 . The rate-limiting step was found to be dissociation of the resting ligand or HNO coordination when there is no resting ligand. For both heme proteins, in contrast to the non-heme case, the reductive nitrosylation step was found to be barrierless proton-coupled electron transfer, which provides the major thermodynamic driving force for the overall reaction. The origin of the difference in reactivity between metmyoglobin and catalase was also revealed." @default.
- W2896768429 created "2018-10-26" @default.
- W2896768429 creator A5043451082 @default.
- W2896768429 creator A5075500520 @default.
- W2896768429 date "2018-11-21" @default.
- W2896768429 modified "2023-10-12" @default.
- W2896768429 title "Mechanisms of HNO Reactions with Ferric Heme Proteins" @default.
- W2896768429 cites W1572341324 @default.
- W2896768429 cites W1590750995 @default.
- W2896768429 cites W1750720387 @default.
- W2896768429 cites W1924358630 @default.
- W2896768429 cites W1963571629 @default.
- W2896768429 cites W1972297823 @default.
- W2896768429 cites W1973173280 @default.
- W2896768429 cites W1977678718 @default.
- W2896768429 cites W1985937289 @default.
- W2896768429 cites W1992281852 @default.
- W2896768429 cites W1993948452 @default.
- W2896768429 cites W1994986468 @default.
- W2896768429 cites W1995042715 @default.
- W2896768429 cites W1996778006 @default.
- W2896768429 cites W2004325558 @default.
- W2896768429 cites W2010361160 @default.
- W2896768429 cites W2015677976 @default.
- W2896768429 cites W2025151994 @default.
- W2896768429 cites W2027056314 @default.
- W2896768429 cites W2033017716 @default.
- W2896768429 cites W2036189255 @default.
- W2896768429 cites W2048467721 @default.
- W2896768429 cites W2061561689 @default.
- W2896768429 cites W2062435426 @default.
- W2896768429 cites W2070505919 @default.
- W2896768429 cites W2074038490 @default.
- W2896768429 cites W2075758641 @default.
- W2896768429 cites W2076703496 @default.
- W2896768429 cites W2078494563 @default.
- W2896768429 cites W2080042997 @default.
- W2896768429 cites W2093713486 @default.
- W2896768429 cites W2122282115 @default.
- W2896768429 cites W2137691301 @default.
- W2896768429 cites W2147004705 @default.
- W2896768429 cites W2169232518 @default.
- W2896768429 cites W2191665487 @default.
- W2896768429 cites W2197653088 @default.
- W2896768429 cites W2219822644 @default.
- W2896768429 cites W2271315119 @default.
- W2896768429 cites W2317742324 @default.
- W2896768429 cites W2319850587 @default.
- W2896768429 cites W2321911673 @default.
- W2896768429 cites W2325005167 @default.
- W2896768429 cites W2338761425 @default.
- W2896768429 cites W2532264661 @default.
- W2896768429 cites W2540297028 @default.
- W2896768429 cites W2554142923 @default.
- W2896768429 cites W2950503471 @default.
- W2896768429 cites W4244514832 @default.
- W2896768429 doi "https://doi.org/10.1002/anie.201807699" @default.
- W2896768429 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6522253" @default.
- W2896768429 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30347123" @default.
- W2896768429 hasPublicationYear "2018" @default.
- W2896768429 type Work @default.
- W2896768429 sameAs 2896768429 @default.
- W2896768429 citedByCount "9" @default.
- W2896768429 countsByYear W28967684292019 @default.
- W2896768429 countsByYear W28967684292021 @default.
- W2896768429 countsByYear W28967684292022 @default.
- W2896768429 countsByYear W28967684292023 @default.
- W2896768429 crossrefType "journal-article" @default.
- W2896768429 hasAuthorship W2896768429A5043451082 @default.
- W2896768429 hasAuthorship W2896768429A5075500520 @default.
- W2896768429 hasBestOaLocation W28967684292 @default.
- W2896768429 hasConcept C102931765 @default.
- W2896768429 hasConcept C109358031 @default.
- W2896768429 hasConcept C116569031 @default.
- W2896768429 hasConcept C123669783 @default.
- W2896768429 hasConcept C139066938 @default.
- W2896768429 hasConcept C142724271 @default.
- W2896768429 hasConcept C170493617 @default.
- W2896768429 hasConcept C178790620 @default.
- W2896768429 hasConcept C179104552 @default.
- W2896768429 hasConcept C181199279 @default.
- W2896768429 hasConcept C185592680 @default.
- W2896768429 hasConcept C204787440 @default.
- W2896768429 hasConcept C20705724 @default.
- W2896768429 hasConcept C2776217839 @default.
- W2896768429 hasConcept C2776910235 @default.
- W2896768429 hasConcept C2778063876 @default.
- W2896768429 hasConcept C2778979269 @default.
- W2896768429 hasConcept C2780534640 @default.
- W2896768429 hasConcept C55493867 @default.
- W2896768429 hasConcept C71924100 @default.
- W2896768429 hasConcept C75473681 @default.
- W2896768429 hasConceptScore W2896768429C102931765 @default.
- W2896768429 hasConceptScore W2896768429C109358031 @default.
- W2896768429 hasConceptScore W2896768429C116569031 @default.
- W2896768429 hasConceptScore W2896768429C123669783 @default.
- W2896768429 hasConceptScore W2896768429C139066938 @default.
- W2896768429 hasConceptScore W2896768429C142724271 @default.