{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,19]],"date-time":"2026-08-19T19:19:00Z","timestamp":1787167140069,"version":"build-2736575974"},"reference-count":119,"publisher":"Wiley","issue":"15","license":[{"start":{"date-parts":[[2021,2,16]],"date-time":"2021-02-16T00:00:00Z","timestamp":1613433600000},"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":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry A European J"],"published-print":{"date-parts":[[2021,3,12]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    The interconversion of NO and HNO, via copper zinc superoxide dismutase (CuZnSOD), is important in biomedicine and for HNO detection. Many mechanistic questions, including the decades\u2010long debate on reversibility, were resolved in this work. Calculations of various active\u2010site and full\u2010protein models show that the basic mechanism is proton\u2010coupled electron transfer with a computed barrier of 10.98\u2005kcal\u2009mol\n                    <jats:sup>\u22121<\/jats:sup>\n                    , which is in excellent agreement with experimental results (10.62\u2005kcal\u2009mol\n                    <jats:sup>\u22121<\/jats:sup>\n                    ), and this nonheme protein\u2010mediated reaction has many significant mechanistic differences compared with the conversions mediated by heme proteins due to geometric and electronic factors. The reasons for the irreversible nature of this conversion and models with the first thermodynamically favorable and kinetically feasible mechanism for the experimental reverse reaction were discovered. Such results are the first for nonheme enzyme mediated HNO to NO conversions, which shall facilitate other related studies and HNO probe development.\n                  <\/jats:p>","DOI":"10.1002\/chem.202100015","type":"journal-article","created":{"date-parts":[[2021,1,4]],"date-time":"2021-01-04T22:01:07Z","timestamp":1609797667000},"page":"5019-5027","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["HNO to NO Conversion Mechanism with Copper Zinc Superoxide Dismutase, Comparison with Heme Protein Mediated Conversions, and the Origin of Questionable Reversibility"],"prefix":"10.1002","volume":"27","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"},{"name":"College of Science and Technology Wenzhou-Kean University  88 Daxue Rd Wenzhou, Zhejiang 325060 P.R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Matthew A.","family":"Michael","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"}]},{"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":[[2021,2,16]]},"reference":[{"key":"e_1_2_7_1_1","unstructured":"\u00a0"},{"key":"e_1_2_7_2_2","doi-asserted-by":"publisher","DOI":"10.1038\/327524a0"},{"key":"e_1_2_7_3_2","doi-asserted-by":"publisher","DOI":"10.1042\/CS20140759"},{"key":"e_1_2_7_4_2","doi-asserted-by":"publisher","DOI":"10.7326\/0003-4819-120-3-199402010-00009"},{"key":"e_1_2_7_5_2","doi-asserted-by":"publisher","DOI":"10.1038\/346069a0"},{"key":"e_1_2_7_6_2","doi-asserted-by":"publisher","DOI":"10.1111\/j.1476-5381.1987.tb11367.x"},{"key":"e_1_2_7_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-291X(87)80299-1"},{"key":"e_1_2_7_8_2","doi-asserted-by":"publisher","DOI":"10.1111\/j.1476-5381.1987.tb11310.x"},{"key":"e_1_2_7_9_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.7522345"},{"key":"e_1_2_7_10_2","doi-asserted-by":"publisher","DOI":"10.1080\/08941930802709470"},{"key":"e_1_2_7_11_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.1361684"},{"key":"e_1_2_7_12_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0031-6997(25)06663-3"},{"key":"e_1_2_7_13_2","doi-asserted-by":"publisher","DOI":"10.1016\/0166-2236(91)90022-M"},{"key":"e_1_2_7_14_2","doi-asserted-by":"publisher","DOI":"10.1038\/nrd2466"},{"key":"e_1_2_7_15_2","doi-asserted-by":"publisher","DOI":"10.1038\/ni1001-907"},{"key":"e_1_2_7_16_1","unstructured":"\u00a0"},{"key":"e_1_2_7_17_2","doi-asserted-by":"publisher","DOI":"10.1021\/tx0496800"},{"key":"e_1_2_7_18_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.041481598"},{"key":"e_1_2_7_19_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2008.08.005"},{"key":"e_1_2_7_20_2","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.200400271"},{"key":"e_1_2_7_21_1","unstructured":"\u00a0"},{"key":"e_1_2_7_22_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm400057r"},{"key":"e_1_2_7_23_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.freeradbiomed.2005.10.058"},{"key":"e_1_2_7_24_1","unstructured":"\u00a0"},{"key":"e_1_2_7_25_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.181191198"},{"key":"e_1_2_7_26_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1031571100"},{"key":"e_1_2_7_27_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm050151i"},{"key":"e_1_2_7_28_2","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms5381"},{"key":"e_1_2_7_29_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0891-5849(02)01179-6"},{"key":"e_1_2_7_30_1","unstructured":"\u00a0"},{"key":"e_1_2_7_31_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-291X(82)80144-7"},{"key":"e_1_2_7_32_2","doi-asserted-by":"publisher","DOI":"10.1016\/0006-291X(84)90483-2"},{"key":"e_1_2_7_33_2","doi-asserted-by":"publisher","DOI":"10.1016\/0741-8329(85)90027-8"},{"key":"e_1_2_7_34_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-2952(98)00080-X"},{"key":"e_1_2_7_35_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm00174a001"},{"key":"e_1_2_7_36_2","doi-asserted-by":"publisher","DOI":"10.1016\/0091-3057(83)90185-5"},{"key":"e_1_2_7_37_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.freeradbiomed.2006.11.015"},{"key":"e_1_2_7_38_1","unstructured":"\u00a0"},{"key":"e_1_2_7_39_2","doi-asserted-by":"publisher","DOI":"10.1006\/abbi.1997.0565"},{"key":"e_1_2_7_40_2","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.274.30.20909"},{"key":"e_1_2_7_41_2","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M006174200"},{"key":"e_1_2_7_42_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2004.08.010"},{"key":"e_1_2_7_43_1","unstructured":"\u00a0"},{"key":"e_1_2_7_44_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00324a049"},{"key":"e_1_2_7_45_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00312a031"},{"key":"e_1_2_7_46_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00210a047"},{"key":"e_1_2_7_47_1","unstructured":"\u00a0"},{"key":"e_1_2_7_48_2","doi-asserted-by":"publisher","DOI":"10.1006\/bbrc.1993.2307"},{"key":"e_1_2_7_49_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.88.23.10860"},{"key":"e_1_2_7_50_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0896-6273(00)80859-4"},{"key":"e_1_2_7_51_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0891-5849(98)00256-1"},{"key":"e_1_2_7_52_1","unstructured":"\u00a0"},{"key":"e_1_2_7_53_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.93.25.14492"},{"key":"e_1_2_7_54_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.91.23.10992"},{"key":"e_1_2_7_55_2","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M004337200"},{"key":"e_1_2_7_56_1","unstructured":"\u00a0"},{"key":"e_1_2_7_57_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja909148v"},{"key":"e_1_2_7_58_2","doi-asserted-by":"publisher","DOI":"10.1021\/ol103077q"},{"key":"e_1_2_7_59_2","doi-asserted-by":"publisher","DOI":"10.1021\/jz5002902"},{"key":"e_1_2_7_60_2","doi-asserted-by":"publisher","DOI":"10.1039\/C5CC00787A"},{"key":"e_1_2_7_61_1","unstructured":"\u00a0"},{"key":"e_1_2_7_62_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic302793w"},{"key":"e_1_2_7_63_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja500315x"},{"key":"e_1_2_7_64_2","doi-asserted-by":"publisher","DOI":"10.1039\/C5SC00880H"},{"key":"e_1_2_7_65_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b12825"},{"key":"e_1_2_7_66_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201807699"},{"key":"e_1_2_7_66_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201807699"},{"key":"e_1_2_7_67_1","unstructured":"\u00a0"},{"key":"e_1_2_7_68_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic050018g"},{"key":"e_1_2_7_69_2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.7b03589"},{"key":"e_1_2_7_70_1","unstructured":"\u00a0"},{"key":"e_1_2_7_71_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00331a048"},{"key":"e_1_2_7_72_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic00227a024"},{"key":"e_1_2_7_73_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100004a039"},{"key":"e_1_2_7_74_1","unstructured":"\u00a0"},{"key":"e_1_2_7_75_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja204072j"},{"key":"e_1_2_7_76_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja501127j"},{"key":"e_1_2_7_77_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.473558"},{"key":"e_1_2_7_78_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.475428"},{"key":"e_1_2_7_79_1","unstructured":"\u00a0"},{"key":"e_1_2_7_80_2","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5b12008"},{"key":"e_1_2_7_81_2","doi-asserted-by":"publisher","DOI":"10.1039\/C6DT03860C"},{"key":"e_1_2_7_82_1","doi-asserted-by":"publisher","DOI":"10.1002\/qua.22025"},{"key":"e_1_2_7_83_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1430507100"},{"key":"e_1_2_7_84_1","unstructured":"\u00a0"},{"key":"e_1_2_7_85_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(18)60942-1"},{"key":"e_1_2_7_86_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340190105"},{"key":"e_1_2_7_87_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr4005296"},{"key":"e_1_2_7_88_1","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.9b02272"},{"key":"e_1_2_7_89_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.112202099"},{"key":"e_1_2_7_90_1","doi-asserted-by":"publisher","DOI":"10.1139\/v82-306"},{"key":"e_1_2_7_91_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja103768r"},{"key":"e_1_2_7_92_1","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1999.2610"},{"key":"e_1_2_7_93_1","unstructured":"\u00a0"},{"key":"e_1_2_7_94_2","unstructured":"R. Dennington T.\u2005A. Keith J.\u2005M. Millam inGaussView Version 6.1 Semichem Inc. Shawnee Mission KS 2016;"},{"key":"e_1_2_7_95_2","unstructured":"R. Dennington T.\u2005A. Keith J.\u2005M. Millam Semichem Inc. Shawnee Mission KS 2016."},{"key":"e_1_2_7_96_1","unstructured":"\u00a0"},{"key":"e_1_2_7_97_2","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201308431"},{"key":"e_1_2_7_97_3","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201308431"},{"key":"e_1_2_7_98_2","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.2643"},{"key":"e_1_2_7_99_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja0211104"},{"key":"e_1_2_7_100_1","unstructured":"Gaussian 09 Revision D.01 M.\u2005J. Frisch G.\u2005W. Trucks H.\u2005B. Schlegel G.\u2005E. Scuseria M.\u2005A. Robb J.\u2005R. Cheeseman G. Scalmani V. Barone B. Mennucci G.\u2005A. Petersson H. Nakatsuji M. Caricato X. Li H.\u2005P. Hratchian A.\u2005F. Izmaylov J. Bloino G. Zheng J.\u2005L. Sonnenberg M. Hada M. Ehara K. Toyota R. Fukuda J. Hasegawa M. Ishida T. Nakajima Y. Honda O. Kitao H. Nakai T. Vreven J.\u2005A. Montgomery \u2005Jr. E. Peralta F. Ogliaro M. Bearpark J.\u2005J. Heyd E. Brothers K.\u2005N. Kudin V.\u2005N. Staroverov T. Keith R. Kobayashi J. Normand K. Raghavachari A. Rendell J.\u2005C. Burant S.\u2005S. Iyengar J. Tomasi M. Cossi N. Rega J.\u2005M. Millam M. Klene J.\u2005E. Knox J.\u2005B. Cross V. Bakken C. Adamo J. Jaramillo R. Gomperts R.\u2005E. Stratmann O. Yazyev A.\u2005J. Austin R. Cammi C. Pomelli J.\u2005W. Ochterski R.\u2005L. Martin K. Morokuma V.\u2005G. Zakrzewski G.\u2005A. Voth P. Salvador J.\u2005J. Dannenberg S. Dapprich A.\u2005D. Daniels O. Farkas J.\u2005B. Foresman J.\u2005V. Ortiz J. Cioslowski D.\u2005J Fox Gaussian Inc. Wallingford CT 2013."},{"key":"e_1_2_7_101_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.448799"},{"key":"e_1_2_7_102_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-007-0310-x"},{"key":"e_1_2_7_103_1","doi-asserted-by":"publisher","DOI":"10.1039\/b810189b"},{"key":"e_1_2_7_104_1","unstructured":"\u00a0"},{"key":"e_1_2_7_105_2","doi-asserted-by":"publisher","DOI":"10.1021\/ct050289g"},{"key":"e_1_2_7_106_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja016589z"},{"key":"e_1_2_7_107_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja103530v"},{"key":"e_1_2_7_108_2","doi-asserted-by":"publisher","DOI":"10.1021\/ct1005592"},{"key":"e_1_2_7_109_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00124a002"},{"key":"e_1_2_7_110_1","unstructured":"\u00a0"},{"key":"e_1_2_7_111_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540050204"},{"key":"e_1_2_7_112_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540110404"},{"key":"e_1_2_7_113_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201608539"},{"key":"e_1_2_7_113_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201608539"},{"key":"e_1_2_7_114_1","unstructured":"\u00a0"},{"key":"e_1_2_7_115_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10084"},{"key":"e_1_2_7_116_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00002a004"}],"container-title":["Chemistry \u2013 A European Journal"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/chem.202100015","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/chem.202100015","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/chem.202100015","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T09:03:29Z","timestamp":1760259809000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/chem.202100015"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,2,16]]},"references-count":119,"journal-issue":{"issue":"15","published-print":{"date-parts":[[2021,3,12]]}},"alternative-id":["10.1002\/chem.202100015"],"URL":"https:\/\/doi.org\/10.1002\/chem.202100015","archive":["Portico"],"relation":{},"ISSN":["0947-6539","1521-3765"],"issn-type":[{"value":"0947-6539","type":"print"},{"value":"1521-3765","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,2,16]]},"assertion":[{"value":"2021-01-04","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2021-02-16","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}