{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,1]],"date-time":"2026-05-01T00:22:47Z","timestamp":1777594967872,"version":"3.51.4"},"reference-count":79,"publisher":"Royal Society of Chemistry (RSC)","issue":"2","license":[{"start":{"date-parts":[[2021,11,2]],"date-time":"2021-11-02T00:00:00Z","timestamp":1635811200000},"content-version":"am","delay-in-days":305,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100008530","name":"European Regional Development Fund","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100008530","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100006111","name":"Minist\u00e9rio da Ci\u00eancia, Tecnologia e Ensino Superior","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100006111","id-type":"DOI","asserted-by":"crossref"}]},{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","award":["01\/SAICT\/2016 - 022153"],"award-info":[{"award-number":["01\/SAICT\/2016 - 022153"]}]},{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","award":["PTDC\/QUI-QFI\/31689\/2017"],"award-info":[{"award-number":["PTDC\/QUI-QFI\/31689\/2017"]}]},{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","award":["SFRH\/BD\/115396\/2016"],"award-info":[{"award-number":["SFRH\/BD\/115396\/2016"]}]},{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","award":["UIDB\/04378\/2020"],"award-info":[{"award-number":["UIDB\/04378\/2020"]}]},{"name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","award":["UIDB\/50006\/2020"],"award-info":[{"award-number":["UIDB\/50006\/2020"]}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Inorg. Chem. Front."],"abstract":"<p>In this article, quantum mechanical\/molecular mechanical (QM\/MM) methods were used to study the full catalytic mechanism of xanthine oxidase (XO).<\/p>","DOI":"10.1039\/d0qi01029d","type":"journal-article","created":{"date-parts":[[2020,11,2]],"date-time":"2020-11-02T11:46:24Z","timestamp":1604317584000},"page":"405-416","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":31,"title":["The complete catalytic mechanism of xanthine oxidase: a computational study"],"prefix":"10.1039","volume":"8","author":[{"given":"Pedro M. G.","family":"Ribeiro","sequence":"first","affiliation":[{"name":"UCIBIO@REQUIMTE"},{"name":"BioSIM"},{"name":"Departamento de Biomedicina"},{"name":"Faculdade de Medicina da Universidade do Porto"},{"name":"Alameda Professor Hern\u00e2ni Monteiro"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9280-1838","authenticated-orcid":false,"given":"Henrique S.","family":"Fernandes","sequence":"additional","affiliation":[{"name":"UCIBIO@REQUIMTE"},{"name":"BioSIM"},{"name":"Departamento de Biomedicina"},{"name":"Faculdade de Medicina da Universidade do Porto"},{"name":"Alameda Professor Hern\u00e2ni Monteiro"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6901-6591","authenticated-orcid":false,"given":"Lu\u00edsa B.","family":"Maia","sequence":"additional","affiliation":[{"name":"LAQV"},{"name":"REQUIMTE"},{"name":"NOVA School of Science and Technology"},{"name":"Campus de Caparica"},{"name":"2829-516 Caparica"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6560-5284","authenticated-orcid":false,"given":"S\u00e9rgio F.","family":"Sousa","sequence":"additional","affiliation":[{"name":"UCIBIO@REQUIMTE"},{"name":"BioSIM"},{"name":"Departamento de Biomedicina"},{"name":"Faculdade de Medicina da Universidade do Porto"},{"name":"Alameda Professor Hern\u00e2ni Monteiro"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4726-2388","authenticated-orcid":false,"given":"Jos\u00e9 J. G.","family":"Moura","sequence":"additional","affiliation":[{"name":"LAQV"},{"name":"REQUIMTE"},{"name":"NOVA School of Science and Technology"},{"name":"Campus de Caparica"},{"name":"2829-516 Caparica"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0342-7424","authenticated-orcid":false,"given":"Nuno M. F. S. A.","family":"Cerqueira","sequence":"additional","affiliation":[{"name":"UCIBIO@REQUIMTE"},{"name":"BioSIM"},{"name":"Departamento de Biomedicina"},{"name":"Faculdade de Medicina da Universidade do Porto"},{"name":"Alameda Professor Hern\u00e2ni Monteiro"}]}],"member":"292","published-online":{"date-parts":[[2021]]},"reference":[{"key":"D0QI01029D-(cit1)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"725","DOI":"10.1021\/np8007123","volume":"72","author":"Pauff","year":"2009","journal-title":"J. Nat. Prod."},{"key":"D0QI01029D-(cit2)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"353","DOI":"10.1080\/07315724.1992.10718238","volume":"11","author":"Brule","year":"1992","journal-title":"J. Am. Coll. Nutr."},{"key":"D0QI01029D-(cit3)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2450","DOI":"10.1056\/NEJMoa050373","volume":"353","author":"Becker","year":"2005","journal-title":"N. Engl. J. Med."},{"key":"D0QI01029D-(cit4)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"916","DOI":"10.1002\/art.20935","volume":"52","author":"Becker","year":"2005","journal-title":"Arthritis Rheum."},{"key":"D0QI01029D-(cit5)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"893","DOI":"10.1517\/13543784.14.7.893","volume":"14","author":"Schumacher Jr.","year":"2005","journal-title":"Expert Opin. Invest. Drugs"},{"key":"D0QI01029D-(cit6)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"S55","DOI":"10.1097\/RHU.0b013e3181896921","volume":"14","author":"Chen","year":"2008","journal-title":"J. Clin. Rheumatol."},{"key":"D0QI01029D-(cit7)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"318","DOI":"10.1016\/S0140-6736(09)60883-7","volume":"375","author":"Richette","year":"2010","journal-title":"Lancet"},{"key":"D0QI01029D-(cit8)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1007\/s004390100477","volume":"108","author":"Sakamoto","year":"2001","journal-title":"Hum. Genet."},{"key":"D0QI01029D-(cit9)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2391","DOI":"10.1172\/JCI119421","volume":"99","author":"Ichida","year":"1997","journal-title":"J. Clin. Invest."},{"key":"D0QI01029D-(cit10)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1124\/pr.58.1.6","volume":"58","author":"Pacher","year":"2006","journal-title":"Pharmacol. Rev."},{"key":"D0QI01029D-(cit11)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1200\/JCO.2000.18.8.1758","volume":"18","author":"Smalley","year":"2000","journal-title":"J. Clin. Oncol."},{"key":"D0QI01029D-(cit12)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"799","DOI":"10.1042\/bj1930799","volume":"193","author":"Kela","year":"1981","journal-title":"Biochem. J."},{"key":"D0QI01029D-(cit13)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"127523","DOI":"10.1016\/j.molstruc.2019.127523","volume":"1204","author":"Gundu\u011fdu","year":"2020","journal-title":"J. Mol. Struct."},{"key":"D0QI01029D-(cit14)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"670","DOI":"10.1177\/0897190017734427","volume":"31","author":"Huneycutt","year":"2018","journal-title":"J. Pharm. Pract."},{"issue":"2","key":"D0QI01029D-(cit15)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"51","DOI":"10.3390\/ph11020051","volume":"11","author":"Jordan","year":"2018","journal-title":"Pharmaceuticals"},{"key":"D0QI01029D-(cit16)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1073","DOI":"10.1002\/med.21457","volume":"38","author":"Kumar","year":"2018","journal-title":"Med. Res. Rev."},{"key":"D0QI01029D-(cit17)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"714","DOI":"10.1002\/cmdc.201900034","volume":"14","author":"Luna","year":"2019","journal-title":"ChemMedChem"},{"key":"D0QI01029D-(cit18)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"123","DOI":"10.2174\/1568026619666190206122640","volume":"19","author":"Malik","year":"2019","journal-title":"Curr. Top. Med. Chem."},{"key":"D0QI01029D-(cit19)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"100","DOI":"10.1016\/j.phytochem.2018.07.006","volume":"155","author":"Masuoka","year":"2018","journal-title":"Phytochemistry"},{"key":"D0QI01029D-(cit20)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1111\/cbdd.13437","volume":"93","author":"Mehmood","year":"2019","journal-title":"Chem. Biol. Drug Des."},{"key":"D0QI01029D-(cit21)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1080\/13543776.2017.1261111","volume":"27","author":"Ojha","year":"2017","journal-title":"Expert Opin. Ther. Pat."},{"key":"D0QI01029D-(cit22)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"743","DOI":"10.1016\/S0140-6736(15)60692-4","volume":"386","author":"Global","year":"2015","journal-title":"Lancet"},{"key":"D0QI01029D-(cit23)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1093\/jb\/mvm053","volume":"141","author":"Yamaguchi","year":"2007","journal-title":"J. Biochem."},{"key":"D0QI01029D-(cit24)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"14885","DOI":"10.1021\/ja9045394","volume":"131","author":"Metz","year":"2009","journal-title":"J. Am. Chem. Soc."},{"key":"D0QI01029D-(cit25)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1506","DOI":"10.1021\/jp909999s","volume":"114","author":"Metz","year":"2010","journal-title":"J. Phys. Chem. B"},{"key":"D0QI01029D-(cit26)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"17080","DOI":"10.1021\/ja1077574","volume":"132","author":"Okamoto","year":"2010","journal-title":"J. Am. Chem. Soc."},{"key":"D0QI01029D-(cit27)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1093\/jb\/mvm053","volume":"141","author":"Yamaguchi","year":"2007","journal-title":"J. Biochem."},{"key":"D0QI01029D-(cit28)\/*[position()=1]","doi-asserted-by":"publisher","DOI":"10.2210\/pdb2ckj\/pdb","volume-title":"Human Milk Xanthine Dehydrogenase is Incompletely Converted to the Oxidase Form in the Absence of Proteolysis. A Structural Explanation","author":"Pearson","year":"2006","unstructured":"A. R. Pearson  ,  B.L.J.Godber ,  R.Eisenthal ,  G.L.Taylor  and  R.Harrison ,  Human Milk Xanthine Dehydrogenase is Incompletely Converted to the Oxidase Form in the Absence of Proteolysis. A Structural Explanation ,  2006 ,  10.2210\/pdb2ckj\/pdb"},{"key":"D0QI01029D-(cit29)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3389","DOI":"10.1093\/nar\/25.17.3389","volume":"25","author":"Altschul","year":"1997","journal-title":"Nucleic Acids Res."},{"key":"D0QI01029D-(cit30)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5101","DOI":"10.1111\/j.1742-4658.2005.04945.x","volume":"272","author":"Altschul","year":"2005","journal-title":"FEBS J."},{"issue":"Suppl 1","key":"D0QI01029D-(cit31)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"S162","DOI":"10.1002\/elps.200900140","volume":"30","author":"Guex","year":"2009","journal-title":"Electrophoresis"},{"key":"D0QI01029D-(cit32)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1093\/bioinformatics\/btq662","volume":"27","author":"Benkert","year":"2011","journal-title":"Bioinformatics"},{"key":"D0QI01029D-(cit33)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"D313","DOI":"10.1093\/nar\/gkw1132","volume":"45","author":"Bienert","year":"2017","journal-title":"Nucleic Acids Res."},{"key":"D0QI01029D-(cit34)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"W296","DOI":"10.1093\/nar\/gky427","volume":"46","author":"Waterhouse","year":"2018","journal-title":"Nucleic Acids Res."},{"key":"D0QI01029D-(cit35)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","volume":"25","author":"Wang","year":"2004","journal-title":"J. Comput. Chem."},{"key":"D0QI01029D-(cit36)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"712","DOI":"10.1002\/prot.21123","volume":"65","author":"Hornak","year":"2006","journal-title":"Proteins"},{"key":"D0QI01029D-(cit37)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2538","DOI":"10.1021\/acs.jctc.8b00137","volume":"14","author":"Ferreira","year":"2018","journal-title":"J. Chem. Theory Comput."},{"key":"D0QI01029D-(cit39)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"525","DOI":"10.1021\/ct100578z","volume":"7","author":"Olsson","year":"2011","journal-title":"J. Chem. Theory Comput."},{"key":"D0QI01029D-(cit40)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2284","DOI":"10.1021\/ct200133y","volume":"7","author":"S\u00f8ndergaard","year":"2011","journal-title":"J. Chem. Theory Comput."},{"key":"D0QI01029D-(cit41)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10096","DOI":"10.1063\/1.1808117","volume":"121","author":"Price","year":"2004","journal-title":"J. Chem. Phys."},{"key":"D0QI01029D-(cit42)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1007\/BF01008729","volume":"9","author":"Zwanzig","year":"1973","journal-title":"J. Stat. Phys."},{"key":"D0QI01029D-(cit43)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","volume":"81","author":"Berendsen","year":"1984","journal-title":"J. Chem. Phys."},{"key":"D0QI01029D-(cit44)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"669","DOI":"10.1002\/cphc.201700339","volume":"19","author":"Cerqueira","year":"2018","journal-title":"ChemPhysChem"},{"key":"D0QI01029D-(cit45)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1344","DOI":"10.1002\/jcc.25189","volume":"39","author":"Fernandes","year":"2018","journal-title":"J. Comput. Chem."},{"key":"D0QI01029D-(cit46)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Graphics"},{"key":"D0QI01029D-(cit47)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1170","DOI":"10.1002\/jcc.540160911","volume":"16","author":"Maseras","year":"1995","journal-title":"J. Comput. Chem."},{"key":"D0QI01029D-(cit48)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"19357","DOI":"10.1021\/jp962071j","volume":"100","author":"Svensson","year":"1996","journal-title":"J. Phys. Chem."},{"key":"D0QI01029D-(cit49)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0166-1280(98)00475-8","volume":"461","author":"Dapprich","year":"1999","journal-title":"J. Mol. Struct.: THEOCHEM"},{"key":"D0QI01029D-(cit50)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1016\/j.cplett.2004.06.011","volume":"393","author":"Yanai","year":"2004","journal-title":"Chem. Phys. Lett."},{"key":"D0QI01029D-(cit51)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"724","DOI":"10.1063\/1.1674902","volume":"54","author":"Ditchfield","year":"1971","journal-title":"J. Chem. Phys."},{"key":"D0QI01029D-(cit52)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2257","DOI":"10.1063\/1.1677527","volume":"56","author":"Hehre","year":"1972","journal-title":"J. Chem. Phys."},{"key":"D0QI01029D-(cit53)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1007\/BF00533485","volume":"28","author":"Hariharan","year":"1973","journal-title":"Theor. Chim. Acta"},{"key":"D0QI01029D-(cit54)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3654","DOI":"10.1063\/1.444267","volume":"77","author":"Francl","year":"1982","journal-title":"J. Chem. Phys."},{"key":"D0QI01029D-(cit55)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2797","DOI":"10.1021\/ja00374a017","volume":"104","author":"Gordon","year":"1982","journal-title":"J. Am. Chem. Soc."},{"key":"D0QI01029D-(cit56)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"299","DOI":"10.1063\/1.448975","volume":"82","author":"Hay","year":"1985","journal-title":"J. Chem. Phys."},{"key":"D0QI01029D-(cit58)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"650","DOI":"10.1063\/1.438955","volume":"72","author":"Krishnan","year":"1980","journal-title":"J. Chem. Phys."},{"key":"D0QI01029D-(cit59)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5639","DOI":"10.1063\/1.438980","volume":"72","author":"McLean","year":"1980","journal-title":"J. Chem. Phys."},{"key":"D0QI01029D-(cit60)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1002\/jcc.540040303","volume":"4","author":"Clark","year":"1983","journal-title":"J. Comput. Chem."},{"key":"D0QI01029D-(cit61)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3265","DOI":"10.1063\/1.447079","volume":"80","author":"Frisch","year":"1984","journal-title":"J. Chem. Phys."},{"key":"D0QI01029D-(cit62)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1109","DOI":"10.1002\/jcc.540080807","volume":"8","author":"Spitznagel","year":"1987","journal-title":"J. Comput. Chem."},{"issue":"11","key":"D0QI01029D-(cit63)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4519","DOI":"10.1021\/acs.jcim.9b00739","volume":"59","author":"Fernandes","year":"2019","journal-title":"J. Chem. Inf. Model."},{"key":"D0QI01029D-(cit64)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"655","DOI":"10.1002\/ijch.202000014","volume":"60","author":"Magalh\u00e3es","year":"2020","journal-title":"Isr. J. Chem."},{"key":"D0QI01029D-(cit65)\/*[position()=1]","first-page":"e1281","volume":"7","author":"Sousa","year":"2017","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D0QI01029D-(cit66)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"9162","DOI":"10.1002\/chem.201701375","volume":"23","author":"Fernandes","year":"2017","journal-title":"Chemistry"},{"key":"D0QI01029D-(cit67)\/*[position()=1]","doi-asserted-by":"publisher","first-page":"10096","DOI":"10.1021\/acscatal.8b02321","author":"Fernandes","year":"2018","journal-title":"ACS Catal."},{"key":"D0QI01029D-(cit68)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1002\/cctc.201901505","volume":"12","author":"Teixeira","year":"2020","journal-title":"ChemCatChem"},{"key":"D0QI01029D-(cit69)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5925","DOI":"10.1039\/D0CY01170C","volume":"10","author":"Sudhakara","year":"2020","journal-title":"Catal. Sci. Technol."},{"key":"D0QI01029D-(cit70)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5301","DOI":"10.1021\/acs.jctc.0c00156","volume":"16","author":"Ren","year":"2020","journal-title":"J. Chem. Theory Comput."},{"key":"D0QI01029D-(cit71)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"25658","DOI":"10.1039\/C9CP03565F","volume":"21","author":"Bai","year":"2019","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D0QI01029D-(cit72)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"518","DOI":"10.1039\/C9OB02254F","volume":"18","author":"McClory","year":"2020","journal-title":"Org. Biomol. Chem."},{"key":"D0QI01029D-(cit73)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1007\/s00894-019-4001-z","volume":"25","author":"Yu","year":"2019","journal-title":"J. Mol. Model."},{"key":"D0QI01029D-(cit74)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2875","DOI":"10.1021\/acs.accounts.5b00333","volume":"48","author":"Cerqueira","year":"2015","journal-title":"Acc. Chem. Res."},{"key":"D0QI01029D-(cit75)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2466","DOI":"10.1002\/jcc.21280","volume":"30","author":"Cerqueira","year":"2009","journal-title":"J. Comput. Chem."},{"key":"D0QI01029D-(cit76)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10766","DOI":"10.1021\/ic3028034","volume":"52","author":"Cerqueira","year":"2013","journal-title":"Inorg. Chem."},{"key":"D0QI01029D-(cit77)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4684","DOI":"10.1038\/s41598-018-22751-6","volume":"8","author":"Caldararu","year":"2018","journal-title":"Sci. Rep."},{"key":"D0QI01029D-(cit78)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1243","DOI":"10.1007\/s00775-018-1608-y","volume":"23","author":"Dong","year":"2018","journal-title":"JBIC, J. Biol. Inorg. Chem."},{"key":"D0QI01029D-(cit79)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"274","DOI":"10.1016\/j.redox.2018.08.020","volume":"19","author":"Maia","year":"2018","journal-title":"Redox Biol."},{"key":"D0QI01029D-(cit80)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2757","DOI":"10.1021\/cr950061t","volume":"96","author":"Hille","year":"1996","journal-title":"Chem. Rev."},{"key":"D0QI01029D-(cit81)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"9276","DOI":"10.1021\/acscatal.0c02627","volume":"10","author":"Ferreira","year":"2020","journal-title":"ACS Catal."}],"container-title":["Inorganic Chemistry Frontiers"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2021\/QI\/D0QI01029D","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,4,18]],"date-time":"2024-04-18T02:11:00Z","timestamp":1713406260000},"score":1,"resource":{"primary":{"URL":"https:\/\/xlink.rsc.org\/?DOI=D0QI01029D"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021]]},"references-count":79,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2021,1,26]]}},"URL":"https:\/\/doi.org\/10.1039\/d0qi01029d","relation":{},"ISSN":["2052-1553"],"issn-type":[{"value":"2052-1553","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021]]},"assertion":[{"value":"This document is Similarity Check deposited","name":"similarity_check","explanation":{"URL":"https:\/\/www.crossref.org\/services\/similarity-check\/"},"group":{"name":"similarity_check","label":"SIMILARITY CHECK"}},{"value":"Supplementary Information","URL":"https:\/\/doi.org\/10.1039\/D0QI01029D","name":"related_data","group":{"name":"related_data","label":"RELATED DATA"}},{"value":"Henrique S. Fernandes (ORCID)","URL":"http:\/\/orcid.org\/0000-0002-9280-1838","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Henrique S. Fernandes (ResearcherID)","URL":"http:\/\/www.researcherid.com\/rid\/D-1620-2016","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Lu\u00edsa B. Maia (ORCID)","URL":"http:\/\/orcid.org\/0000-0002-6901-6591","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Lu\u00edsa B. Maia (ResearcherID)","URL":"http:\/\/www.researcherid.com\/rid\/F-8106-2011","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"S\u00e9rgio F. Sousa (ORCID)","URL":"http:\/\/orcid.org\/0000-0002-6560-5284","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"S\u00e9rgio F. Sousa (ResearcherID)","URL":"http:\/\/www.researcherid.com\/rid\/A-5062-2008","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Jos\u00e9 J. G. Moura (ORCID)","URL":"http:\/\/orcid.org\/0000-0002-4726-2388","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Jos\u00e9 J. G. Moura (ResearcherID)","URL":"http:\/\/www.researcherid.com\/rid\/D-6426-2013","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Nuno M. F. S. A. Cerqueira (ORCID)","URL":"http:\/\/orcid.org\/0000-0003-0342-7424","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Nuno M. F. S. A. Cerqueira (ResearcherID)","URL":"http:\/\/www.researcherid.com\/rid\/A-5182-2008","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Single-blind","order":2,"name":"peer_review_method","group":{"name":"peer_review_method","label":"PEER REVIEW METHOD"}},{"value":"Received 25 August 2020; Accepted 30 October 2020;  Accepted Manuscript published 2 November 2020;  Advance Article published 18 November 2020;  Version of Record published 26 January 2021","order":1,"name":"history","group":{"name":"publication_history","label":"PUBLICATION HISTORY"}}]}}