{"id":"https://openalex.org/W7225622283","doi":"https://doi.org/10.1007/s11224-026-02900-8","title":"Challenges of the element with atomic number 85: strengthening the metal-astatide bond by complex formation with triazacyclononane ligands","display_name":"Challenges of the element with atomic number 85: strengthening the metal-astatide bond by complex formation with triazacyclononane ligands","publication_year":2026,"publication_date":"2026-11-09","ids":{"openalex":"https://openalex.org/W7225622283","doi":"https://doi.org/10.1007/s11224-026-02900-8"},"language":"en","primary_location":{"id":"doi:10.1007/s11224-026-02900-8","doi":"https://doi.org/10.1007/s11224-026-02900-8","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s11224-026-02900-8","pdf_url":"https://link.springer.com/content/pdf/10.1007/s11224-026-02900-8.pdf","source":{"id":"https://openalex.org/S30784254","display_name":"Structural Chemistry","issn_l":"1040-0400","issn":["1040-0400","1572-9001"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Structural Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/s11224-026-02900-8.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5052335305","display_name":"Attila Kov\u00e1cs","orcid":"https://orcid.org/0000-0001-8169-3547","observed_orcids":["https://orcid.org/0000-0001-8169-3547"]},"institutions":[{"id":"https://openalex.org/I4210133948","display_name":"Joint Research Centre","ror":"https://ror.org/02ptz5951","country_code":"DE","type":"government","lineage":["https://openalex.org/I1320481043","https://openalex.org/I2800387288","https://openalex.org/I4210133948","https://openalex.org/I4210161702"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Attila Kov\u00e1cs","raw_affiliation_strings":["European Commission, Joint Research Centre (JRC), Karlsruhe, Germany"],"raw_orcid":"https://orcid.org/0000-0001-8169-3547","affiliations":[{"raw_affiliation_string":"European Commission, Joint Research Centre (JRC), Karlsruhe, Germany","institution_ids":["https://openalex.org/I4210133948"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5077412380","display_name":"Zolt\u00e1n Varga","orcid":"https://orcid.org/0000-0002-9324-798X","observed_orcids":["https://orcid.org/0000-0002-9324-798X"]},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zolt\u00e1n Varga","raw_affiliation_strings":["Department of Chemistry, Chemical Theory Center, Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, MN, 55455, USA"],"raw_orcid":"https://orcid.org/0000-0002-9324-798X","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Chemical Theory Center, Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, MN, 55455, USA","institution_ids":["https://openalex.org/I130238516"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5052335305"],"corresponding_institution_ids":["https://openalex.org/I4210133948"],"apc_list":{"value":3990,"currency":"USD","value_usd":3990},"apc_paid":{"value":3990,"currency":"USD","value_usd":3990},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11395","display_name":"Radiopharmaceutical Chemistry and Applications","score":0.86080002784729,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11395","display_name":"Radiopharmaceutical Chemistry and Applications","score":0.86080002784729,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10973","display_name":"Radioactive element chemistry and processing","score":0.08569999784231186,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.010499999858438969,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/astatine","display_name":"astatine","score":0.9670000076293945},{"id":"https://openalex.org/keywords/triazacyclononane","display_name":"triazacyclononane","score":0.8790000081062317},{"id":"https://openalex.org/keywords/macrocyclic-chelators","display_name":"macrocyclic chelators","score":0.9449999928474426},{"id":"https://openalex.org/keywords/targeted-alpha-therapy","display_name":"targeted alpha therapy","score":0.6830000281333923},{"id":"https://openalex.org/keywords/astatine-211","display_name":"astatine-211","score":0.8199999928474426},{"id":"https://openalex.org/keywords/chelate-stability","display_name":"chelate stability","score":0.7239999771118164},{"id":"https://openalex.org/keywords/dissociation-energy","display_name":"dissociation energy","score":0.8989999890327454},{"id":"https://openalex.org/keywords/rhodium","display_name":"rhodium","score":0.6710000038146973},{"id":"https://openalex.org/keywords/cobalt","display_name":"cobalt","score":0.9810000061988831},{"id":"https://openalex.org/keywords/yttrium","display_name":"yttrium","score":0.996999979019165},{"id":"https://openalex.org/keywords/lutetium","display_name":"lutetium","score":0.9819999933242798},{"id":"https://openalex.org/keywords/iridium","display_name":"iridium","score":0.9990000128746033}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8934999704360962},{"id":"https://openalex.org/C197404232","wikidata":"https://www.wikidata.org/wiki/Q319827","display_name":"Chelation","level":2,"score":0.6093000173568726},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6069999933242798},{"id":"https://openalex.org/C62396407","wikidata":"https://www.wikidata.org/wiki/Q863696","display_name":"Bond-dissociation energy","level":3,"score":0.5882999897003174},{"id":"https://openalex.org/C102931765","wikidata":"https://www.wikidata.org/wiki/Q189673","display_name":"Dissociation (chemistry)","level":2,"score":0.5863999724388123},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.5199999809265137},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.49810001254081726},{"id":"https://openalex.org/C124681953","wikidata":"https://www.wikidata.org/wiki/Q339062","display_name":"Decomposition","level":2,"score":0.4948999881744385},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.48829999566078186},{"id":"https://openalex.org/C61782718","wikidata":"https://www.wikidata.org/wiki/Q23809","display_name":"Atomic number","level":2,"score":0.43619999289512634},{"id":"https://openalex.org/C178213299","wikidata":"https://www.wikidata.org/wiki/Q44424","display_name":"Chemical bond","level":2,"score":0.4352000057697296},{"id":"https://openalex.org/C164304813","wikidata":"https://www.wikidata.org/wiki/Q25276","display_name":"Isotope","level":2,"score":0.4235000014305115},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.40630000829696655},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.39160001277923584},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.38749998807907104},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3677000105381012},{"id":"https://openalex.org/C125485243","wikidata":"https://www.wikidata.org/wiki/Q905186","display_name":"Electron density","level":3,"score":0.3650999963283539},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.35580000281333923},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.34299999475479126},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.3301999866962433},{"id":"https://openalex.org/C531082785","wikidata":"https://www.wikidata.org/wiki/Q999","display_name":"Astatine","level":3,"score":0.32839998602867126},{"id":"https://openalex.org/C122032599","wikidata":"https://www.wikidata.org/wiki/Q2914535","display_name":"Bond energy","level":3,"score":0.32679998874664307},{"id":"https://openalex.org/C3019440265","wikidata":"https://www.wikidata.org/wiki/Q238156","display_name":"Complex formation","level":2,"score":0.31060001254081726},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.30630001425743103},{"id":"https://openalex.org/C54281723","wikidata":"https://www.wikidata.org/wiki/Q428830","display_name":"Main group element","level":4,"score":0.2822999954223633},{"id":"https://openalex.org/C198179714","wikidata":"https://www.wikidata.org/wiki/Q3075223","display_name":"Electron localization function","level":3,"score":0.2752000093460083},{"id":"https://openalex.org/C139066938","wikidata":"https://www.wikidata.org/wiki/Q185056","display_name":"Radical","level":2,"score":0.273499995470047},{"id":"https://openalex.org/C2992751792","wikidata":"https://www.wikidata.org/wiki/Q105789","display_name":"Heavy element","level":3,"score":0.27300000190734863},{"id":"https://openalex.org/C63385615","wikidata":"https://www.wikidata.org/wiki/Q2869600","display_name":"Atoms in molecules","level":3,"score":0.2685999870300293},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.2685000002384186},{"id":"https://openalex.org/C135788738","wikidata":"https://www.wikidata.org/wiki/Q19577","display_name":"Actinide","level":2,"score":0.2538999915122986},{"id":"https://openalex.org/C199164860","wikidata":"https://www.wikidata.org/wiki/Q6822745","display_name":"Metal ions in aqueous solution","level":3,"score":0.251800000667572},{"id":"https://openalex.org/C192386470","wikidata":"https://www.wikidata.org/wiki/Q210390","display_name":"Aromaticity","level":3,"score":0.2517000138759613}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s11224-026-02900-8","doi":"https://doi.org/10.1007/s11224-026-02900-8","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s11224-026-02900-8","pdf_url":"https://link.springer.com/content/pdf/10.1007/s11224-026-02900-8.pdf","source":{"id":"https://openalex.org/S30784254","display_name":"Structural Chemistry","issn_l":"1040-0400","issn":["1040-0400","1572-9001"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Structural Chemistry","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1007/s11224-026-02900-8","doi":"https://doi.org/10.1007/s11224-026-02900-8","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s11224-026-02900-8","pdf_url":"https://link.springer.com/content/pdf/10.1007/s11224-026-02900-8.pdf","source":{"id":"https://openalex.org/S30784254","display_name":"Structural Chemistry","issn_l":"1040-0400","issn":["1040-0400","1572-9001"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Structural Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7225622283.pdf","grobid_xml":"https://content.openalex.org/works/W7225622283.grobid-xml"},"referenced_works_count":85,"referenced_works":["https://openalex.org/W1552411020","https://openalex.org/W1556598233","https://openalex.org/W1963646933","https://openalex.org/W1963818903","https://openalex.org/W1966792574","https://openalex.org/W1980473944","https://openalex.org/W1981368803","https://openalex.org/W1981448282","https://openalex.org/W1982346259","https://openalex.org/W1982769477","https://openalex.org/W1989224265","https://openalex.org/W1993077801","https://openalex.org/W1995484207","https://openalex.org/W2000998337","https://openalex.org/W2008423326","https://openalex.org/W2015836908","https://openalex.org/W2021050313","https://openalex.org/W2033050479","https://openalex.org/W2033886491","https://openalex.org/W2037093510","https://openalex.org/W2038767330","https://openalex.org/W2039559098","https://openalex.org/W2044268702","https://openalex.org/W2046806270","https://openalex.org/W2048486567","https://openalex.org/W2054704030","https://openalex.org/W2058848030","https://openalex.org/W2059383202","https://openalex.org/W2060955206","https://openalex.org/W2062991523","https://openalex.org/W2066287997","https://openalex.org/W2068875787","https://openalex.org/W2069006374","https://openalex.org/W2071699368","https://openalex.org/W2081081141","https://openalex.org/W2087651449","https://openalex.org/W2092157292","https://openalex.org/W2093799712","https://openalex.org/W2096747776","https://openalex.org/W2105189720","https://openalex.org/W2113386984","https://openalex.org/W2118734430","https://openalex.org/W2126383912","https://openalex.org/W2132525235","https://openalex.org/W2133223937","https://openalex.org/W2148941593","https://openalex.org/W2164782128","https://openalex.org/W2165739256","https://openalex.org/W2167590372","https://openalex.org/W2316770710","https://openalex.org/W2334225061","https://openalex.org/W2335017154","https://openalex.org/W2346497885","https://openalex.org/W2590455928","https://openalex.org/W2620357445","https://openalex.org/W2639728117","https://openalex.org/W2747735455","https://openalex.org/W2789868158","https://openalex.org/W2799908504","https://openalex.org/W2891647981","https://openalex.org/W2898883116","https://openalex.org/W2955949443","https://openalex.org/W3036734631","https://openalex.org/W3045665740","https://openalex.org/W3049728153","https://openalex.org/W3080651952","https://openalex.org/W3088220127","https://openalex.org/W3115246370","https://openalex.org/W3159643917","https://openalex.org/W3198555057","https://openalex.org/W3202951609","https://openalex.org/W3211219863","https://openalex.org/W4251011088","https://openalex.org/W4286543956","https://openalex.org/W4295779282","https://openalex.org/W4311522331","https://openalex.org/W4388166534","https://openalex.org/W4390236875","https://openalex.org/W4392038419","https://openalex.org/W4401733403","https://openalex.org/W4401916766","https://openalex.org/W4403409014","https://openalex.org/W4410279519","https://openalex.org/W4415855195","https://openalex.org/W4415872301"],"related_works":["https://openalex.org/W4416237480","https://openalex.org/W4389381400","https://openalex.org/W4416306747","https://openalex.org/W1995879334","https://openalex.org/W1977598081","https://openalex.org/W4416165882","https://openalex.org/W1988032672","https://openalex.org/W7221772245","https://openalex.org/W2736375246","https://openalex.org/W2012853223"],"abstract_inverted_index":{"Astatine":[0],"has":[1,23],"only":[2],"radioactive":[3],"isotopes,":[4],"which":[5],"strongly":[6],"limits":[7],"its":[8],"application":[9,39],"possibilities.":[10],"Its":[11],"major":[12],"use":[13],"appears":[14],"in":[15,109],"nuclear":[16],"medicine,":[17],"where":[18],"the":[19,74,78,110,115,118,123,132],"isotope":[20],"211":[21],"At":[22,65],"a":[24,69],"sincere":[25],"potential":[26],"for":[27,37],"targeted":[28],"alpha":[29],"therapy":[30],"(TAT).":[31],"The":[32,44,99],"development":[33],"of":[34,117,131],"stable":[35],"carriers":[36],"this":[38,49],"is":[40,66],"under":[41],"active":[42],"research.":[43],"present":[45],"paper":[46],"contributes":[47],"to":[48,68],"field":[50],"by":[51,73,104],"probing":[52],"selected":[53],"chelate":[54],"complexes":[55],"using":[56],"density":[57,134],"functional":[58],"theory":[59],"(DFT)":[60],"calculations.":[61],"In":[62,77],"these":[63],"molecules":[64],"bonded":[67],"metal":[70],"ion":[71],"captured":[72],"chelator":[75],"ligand.":[76],"study":[79],"triazacyclononane-based":[80],"macrocyclic":[81],"chelators":[82],"containing":[83],"various":[84],"pendant":[85],"arms":[86],"are":[87],"probed":[88],"with":[89,122],"appropriate":[90],"trivalent":[91],"metals":[92],"(Rh,":[93],"Co,":[94],"Y,":[95],"Lu":[96],"and":[97,128],"Ir).":[98],"thermodynamic":[100],"stabilities":[101],"were":[102,112],"assessed":[103],"computed":[105],"dissociation":[106],"energies.":[107],"Trends":[108],"structures":[111],"rationalized":[113],"on":[114],"basis":[116],"bonding":[119],"properties":[120],"evaluated":[121],"natural":[124],"energy":[125],"decomposition":[126],"method":[127],"topological":[129],"analysis":[130],"electron":[133],"distribution.":[135]},"counts_by_year":[],"updated_date":"2026-11-11T12:16:26.678958","created_date":"2026-11-10T00:00:00"}