{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,4]],"date-time":"2026-11-04T08:15:09Z","timestamp":1793780109227,"version":"4.6.1"},"reference-count":89,"publisher":"American Chemical Society (ACS)","issue":"16","license":[{"start":{"date-parts":[[2024,8,14]],"date-time":"2024-08-14T00:00:00Z","timestamp":1723593600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,8,14]],"date-time":"2024-08-14T00:00:00Z","timestamp":1723593600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,8,14]],"date-time":"2024-08-14T00:00:00Z","timestamp":1723593600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100004281","name":"Narodowe Centrum Nauki","doi-asserted-by":"publisher","award":["2015\/17\/B\/NZ3\/03764"],"award-info":[{"award-number":["2015\/17\/B\/NZ3\/03764"]}],"id":[{"id":"10.13039\/501100004281","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2024,8,26]]},"DOI":"10.1021\/acs.jcim.4c00394","type":"journal-article","created":{"date-parts":[[2024,8,14]],"date-time":"2024-08-14T14:24:02Z","timestamp":1723645442000},"page":"6521-6541","source":"Crossref","is-referenced-by-count":4,"title":["Quantum Chemical and Biological Insights into Redox Activity of Metallacarborane Complexes in Cancer Cells"],"prefix":"10.1021","volume":"64","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6675-0670","authenticated-orcid":true,"given":"Katarzyna","family":"Bednarska-Szczepaniak","sequence":"first","affiliation":[{"name":"Laboratory of Medicinal Chemistry, Polish Academy of Sciences, Institute of Medical Biology, 106 Lodowa, 92-232 Lodz, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6412-2910","authenticated-orcid":true,"given":"Krzysztof","family":"Ha\u0142agan","sequence":"additional","affiliation":[{"name":"Department of Molecular Physics, Faculty of Chemistry, Lodz University of Technology, \u017beromskiego 116, 90-924 Lodz, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2102-3741","authenticated-orcid":true,"given":"Marzena","family":"Szwed","sequence":"additional","affiliation":[{"name":"Department of Medical Biophysics, Faculty of Biology and Environmental Protection, University of Lodz, Institute of Biophysics, Pomorska 141\/143, 90-236 Lodz, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8819-6121","authenticated-orcid":true,"given":"Ewelina","family":"Przelaz\u0142y","sequence":"additional","affiliation":[{"name":"Laboratory of Medicinal Chemistry, Polish Academy of Sciences, Institute of Medical Biology, 106 Lodowa, 92-232 Lodz, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3158-5796","authenticated-orcid":true,"given":"Zbigniew J.","family":"Le\u015bnikowski","sequence":"additional","affiliation":[{"name":"Laboratory of Medicinal Chemistry, Polish Academy of Sciences, Institute of Medical Biology, 106 Lodowa, 92-232 Lodz, Poland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,8,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/s41580-024-00730-2"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/s00204-023-03562-9"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/nrc3399"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/s41573-021-00233-1"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/cr900134a"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.3390\/cancers13153855"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s00280-016-2976-z"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.3390\/ijms232314773"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1042\/BSR20212160"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.202400120"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.jare.2023.11.033"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1186\/s12929-023-00956-w"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/S0010-8545(00)00262-9"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/c2cs15338f"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/D1CC05111C"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.5b00125"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202111493"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1039\/c4cc01283f"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201913257"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1126\/science.1093846"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/ic062096p"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/om00060a043"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.jorganchem.2007.07.026"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c02222"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.bios.2013.07.026"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.jorganchem.2017.04.006"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1039\/C6SC01567K"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/D1CC06979A"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioelechem.2011.10.005"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00198"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27061761"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1039\/D2CC00424K"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1039\/C5DT01464F"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200902558"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201406244"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2005.12.009"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.jelechem.2022.116165"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/ic50202a066"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ic300882r"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2006.05.006"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref42\/cit42","unstructured":"Perdew, J. P. Electronic Structure of Solids \u201991: Proceedings of the 75. WE-Heraeus-Seminar and 21st Annual International Symposium on Electronic Structure of Solids Held in Gaussig; 1991; pp 11\u201315."},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1039\/b810189b"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1039\/b508541a"},{"key":"ref47\/cit47","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 16 Rev. C.01. Wallingford, CT 2016."},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(81)85090-2"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/cr9904009"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.3c00422"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201000157"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200401202"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/om051025f"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1007\/BF00549096"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/ja00293a005"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540080430"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/ct200866d"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.1740588"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540050204"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540110404"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/ct600295n"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540110311"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1063\/1.449486"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1016\/j.theochem.2006.08.052"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.3390\/ijms17040519"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1039\/C9DT04695J"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/jp803441m"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00722"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1016\/j.jssc.2014.08.004"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1039\/b923891c"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/jp202531c"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202001237"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1007\/BF02903660"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540100208"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-007-0233-4"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1007\/s00894-012-1667-x"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b01176"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560390106"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1002\/1097-461X(2001)81:3<187::AID-QUA1>3.0.CO;2-B"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.3390\/molecules28134917"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1016\/j.jinorgbio.2019.110779"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1016\/S1387-2656(05)11004-7"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1016\/j.acthis.2018.02.005"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-021-84146-4"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1080\/10520295.2020.1802065"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1177\/1747519819861626"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1002\/chem.200500288"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.2174\/1871520619666190118113201"},{"key":"ref89\/cit89","unstructured":"Open\nResearch Data Repository of Lodz University of Technology (RDB.open). https:\/\/doi.org\/10.34658\/RDB.RAVEAV."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c00394","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c00394","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,8,26]],"date-time":"2024-08-26T08:11:09Z","timestamp":1724659869000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c00394"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8,14]]},"references-count":89,"journal-issue":{"issue":"16","published-print":{"date-parts":[[2024,8,26]]}},"alternative-id":["10.1021\/acs.jcim.4c00394"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c00394","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,8,14]]}}}