{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,26]],"date-time":"2026-08-26T11:01:54Z","timestamp":1787742114461,"version":"build-2784847793"},"reference-count":59,"publisher":"Wiley","issue":"51","license":[{"start":{"date-parts":[[2018,11,21]],"date-time":"2018-11-21T00:00:00Z","timestamp":1542758400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["GM085774"],"award-info":[{"award-number":["GM085774"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Angew Chem Int Ed"],"published-print":{"date-parts":[[2018,12,17]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Many HNO\u2010scavenging 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\u2005kcal\u2009mol\n                    <jats:sup>\u22121<\/jats:sup>\n                    . The rate\u2010limiting 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\u2010heme case, the reductive nitrosylation step was found to be barrierless proton\u2010coupled 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.\n                  <\/jats:p>","DOI":"10.1002\/anie.201807699","type":"journal-article","created":{"date-parts":[[2018,10,22]],"date-time":"2018-10-22T16:12:43Z","timestamp":1540224763000},"page":"16654-16658","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":18,"title":["Mechanisms of HNO Reactions with Ferric Heme Proteins"],"prefix":"10.1002","volume":"57","author":[{"given":"Yelu","family":"Shi","sequence":"first","affiliation":[{"name":"Department of Chemistry and Chemical Biology Stevens Institute of Technology 1 Castle Point on Hudson Hoboken NJ 07030 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7207-6416","authenticated-orcid":false,"given":"Yong","family":"Zhang","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Chemical Biology Stevens Institute of Technology 1 Castle Point on Hudson Hoboken NJ 07030 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2018,11,21]]},"reference":[{"key":"e_1_2_2_1_1","unstructured":"\u00a0"},{"key":"e_1_2_2_2_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2004.08.010"},{"key":"e_1_2_2_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr950056p"},{"key":"e_1_2_2_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jinorgbio.2004.11.005"},{"key":"e_1_2_2_5_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2007.04.012"},{"key":"e_1_2_2_6_2","doi-asserted-by":"publisher","DOI":"10.1007\/s12272-009-1805-x"},{"key":"e_1_2_2_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2011.04.012"},{"key":"e_1_2_2_8_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1031571100"},{"key":"e_1_2_2_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbabio.2009.04.015"},{"key":"e_1_2_2_10_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.96.25.14617"},{"key":"e_1_2_2_11_1","doi-asserted-by":"crossref","first-page":"545","DOI":"10.1016\/S0022-3565(24)39267-5","volume":"293","author":"Boje K. 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