Publication Information

{'id': 'https://openalex.org/W4225948320', 'doi': 'https://doi.org/10.2139/ssrn.4052377', 'title': 'Comparative Dft Studies of Cytotoxicity of Camptothecin, Irinotecan and Sn-38', 'display_name': 'Comparative Dft Studies of Cytotoxicity of Camptothecin, Irinotecan and Sn-38', 'publication_year': 2022, 'publication_date': '2022-01-01', 'ids': {'openalex': 'https://openalex.org/W4225948320', 'doi': 'https://doi.org/10.2139/ssrn.4052377'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.2139/ssrn.4052377', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4210172589', 'display_name': 'SSRN Electronic Journal', 'issn_l': '1556-5068', 'issn': ['1556-5068'], 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1318003438', 'host_organization_name': 'RELX Group (Netherlands)', 'host_organization_lineage': ['https://openalex.org/I1318003438'], 'host_organization_lineage_names': ['RELX Group (Netherlands)'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5050974208', 'display_name': 'Marek Štekláč', 'orcid': 'https://orcid.org/0000-0001-5696-3023'}, 'institutions': [{'id': 'https://openalex.org/I110757952', 'display_name': 'Slovak University of Technology in Bratislava', 'ror': 'https://ror.org/0561ghm58', 'country_code': 'SK', 'type': 'education', 'lineage': ['https://openalex.org/I110757952']}], 'countries': ['SK'], 'is_corresponding': False, 'raw_author_name': 'Marek Štekláč', 'raw_affiliation_strings': ['Slovak University of Technology - Department of Physical Chemistry'], 'affiliations': [{'raw_affiliation_string': 'Slovak University of Technology - Department of Physical Chemistry', 'institution_ids': ['https://openalex.org/I110757952']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5075993859', 'display_name': 'Martin Breza', 'orcid': 'https://orcid.org/0000-0001-5995-0279'}, 'institutions': [{'id': 'https://openalex.org/I110757952', 'display_name': 'Slovak University of Technology in Bratislava', 'ror': 'https://ror.org/0561ghm58', 'country_code': 'SK', 'type': 'education', 'lineage': ['https://openalex.org/I110757952']}], 'countries': ['SK'], 'is_corresponding': False, 'raw_author_name': 'Martin Breza', 'raw_affiliation_strings': ['Slovak University of Technology - Department of Physical Chemistry'], 'affiliations': [{'raw_affiliation_string': 'Slovak University of Technology - Department of Physical Chemistry', 'institution_ids': ['https://openalex.org/I110757952']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 0.0, 'has_fulltext': False, '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': {'min': 0, 'max': 60}, 'biblio': {'volume': None, 'issue': None, 'first_page': None, 'last_page': None}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10163', 'display_name': 'Metal complexes synthesis and properties', 'score': 0.9938, 'subfield': {'id': 'https://openalex.org/subfields/2730', 'display_name': 'Oncology'}, '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/T10163', 'display_name': 'Metal complexes synthesis and properties', 'score': 0.9938, 'subfield': {'id': 'https://openalex.org/subfields/2730', 'display_name': 'Oncology'}, '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/T11279', 'display_name': 'Lanthanide and Transition Metal Complexes', 'score': 0.953, 'subfield': {'id': 'https://openalex.org/subfields/2505', 'display_name': 'Materials Chemistry'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T10432', 'display_name': 'DNA and Nucleic Acid Chemistry', 'score': 0.9464, 'subfield': {'id': 'https://openalex.org/subfields/1312', 'display_name': 'Molecular Biology'}, 'field': {'id': 'https://openalex.org/fields/13', 'display_name': 'Biochemistry, Genetics and Molecular Biology'}, 'domain': {'id': 'https://openalex.org/domains/1', 'display_name': 'Life Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/camptothecin', 'display_name': 'Camptothecin', 'score': 0.9610649}, {'id': 'https://openalex.org/keywords/sn-38', 'display_name': 'SN-38', 'score': 0.67152506}], 'concepts': [{'id': 'https://openalex.org/C2779682216', 'wikidata': 'https://www.wikidata.org/wiki/Q419964', 'display_name': 'Camptothecin', 'level': 2, 'score': 0.9610649}, {'id': 'https://openalex.org/C2780259306', 'wikidata': 'https://www.wikidata.org/wiki/Q412197', 'display_name': 'Irinotecan', 'level': 4, 'score': 0.9545069}, {'id': 'https://openalex.org/C109316439', 'wikidata': 'https://www.wikidata.org/wiki/Q246181', 'display_name': 'Cytotoxicity', 'level': 3, 'score': 0.7878364}, {'id': 'https://openalex.org/C2780508388', 'wikidata': 'https://www.wikidata.org/wiki/Q1750127', 'display_name': 'SN-38', 'level': 5, 'score': 0.67152506}, {'id': 'https://openalex.org/C98274493', 'wikidata': 'https://www.wikidata.org/wiki/Q128406', 'display_name': 'Pharmacology', 'level': 1, 'score': 0.4861967}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.44677448}, {'id': 'https://openalex.org/C86803240', 'wikidata': 'https://www.wikidata.org/wiki/Q420', 'display_name': 'Biology', 'level': 0, 'score': 0.29237723}, {'id': 'https://openalex.org/C121608353', 'wikidata': 'https://www.wikidata.org/wiki/Q12078', 'display_name': 'Cancer', 'level': 2, 'score': 0.15402463}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', 'level': 1, 'score': 0.14619541}, {'id': 'https://openalex.org/C54355233', 'wikidata': 'https://www.wikidata.org/wiki/Q7162', 'display_name': 'Genetics', 'level': 1, 'score': 0.14263365}, {'id': 'https://openalex.org/C202751555', 'wikidata': 'https://www.wikidata.org/wiki/Q221681', 'display_name': 'In vitro', 'level': 2, 'score': 0.089812815}, {'id': 'https://openalex.org/C526805850', 'wikidata': 'https://www.wikidata.org/wiki/Q188874', 'display_name': 'Colorectal cancer', 'level': 3, 'score': 0.05458495}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.2139/ssrn.4052377', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4210172589', 'display_name': 'SSRN Electronic Journal', 'issn_l': '1556-5068', 'issn': ['1556-5068'], 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1318003438', 'host_organization_name': 'RELX Group (Netherlands)', 'host_organization_lineage': ['https://openalex.org/I1318003438'], 'host_organization_lineage_names': ['RELX Group (Netherlands)'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [{'display_name': 'Zero hunger', 'score': 0.56, 'id': 'https://metadata.un.org/sdg/2'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 44, 'referenced_works': ['https://openalex.org/W1107997112', 'https://openalex.org/W1594148627', 'https://openalex.org/W1650728208', 'https://openalex.org/W1965373308', 'https://openalex.org/W1968392598', 'https://openalex.org/W1985582369', 'https://openalex.org/W1986615236', 'https://openalex.org/W2002901895', 'https://openalex.org/W2009737103', 'https://openalex.org/W2018185888', 'https://openalex.org/W2023496696', 'https://openalex.org/W2031733136', 'https://openalex.org/W2038395933', 'https://openalex.org/W2038692006', 'https://openalex.org/W2039537211', 'https://openalex.org/W2045927636', 'https://openalex.org/W2051318720', 'https://openalex.org/W2051557244', 'https://openalex.org/W2058105511', 'https://openalex.org/W2058343239', 'https://openalex.org/W2072533818', 'https://openalex.org/W2073669777', 'https://openalex.org/W2104974810', 'https://openalex.org/W2143981217', 'https://openalex.org/W2159921901', 'https://openalex.org/W2289241051', 'https://openalex.org/W2461746417', 'https://openalex.org/W2525788849', 'https://openalex.org/W2615484523', 'https://openalex.org/W2766353857', 'https://openalex.org/W2850734883', 'https://openalex.org/W2890550402', 'https://openalex.org/W2947382931', 'https://openalex.org/W2966911669', 'https://openalex.org/W3098804445', 'https://openalex.org/W3104218720', 'https://openalex.org/W3170700266', 'https://openalex.org/W3171717353', 'https://openalex.org/W3182600111', 'https://openalex.org/W3183181796', 'https://openalex.org/W3203518827', 'https://openalex.org/W3205608443', 'https://openalex.org/W3205978387', 'https://openalex.org/W4388166534'], 'related_works': ['https://openalex.org/W4315489756', 'https://openalex.org/W4225948320', 'https://openalex.org/W3028060764', 'https://openalex.org/W2941541752', 'https://openalex.org/W2741955981', 'https://openalex.org/W2740933763', 'https://openalex.org/W2148876129', 'https://openalex.org/W2131063689', 'https://openalex.org/W2099983360', 'https://openalex.org/W2014550324'], 'abstract_inverted_index': {'The': [0, 42, 62, 74], 'geometries': [1], 'of': [2, 7, 18, 26, 33, 65, 83, 101], 'camptothecin,': [3], 'irinotecan,': [4], 'SN-38,': [5], 'and': [6, 30], 'their': [8, 66], 'hypothetical': [9], 'Cu(II)': [10], 'complexes': [11], 'are': [12], 'optimized': [13], 'at': [14], 'the': [15, 47, 55, 71, 77, 99, 102], 'B3LYP/6-311G*': [16], 'level': [17], 'theory.': [19], 'Their': [20], 'electron': [21, 43], 'structure,': [22], 'evaluated': [23], 'in': [24, 39, 54, 80], 'terms': [25], 'Mulliken': [27], 'population': [28], 'analysis': [29], 'Quantum': [31], 'Theory': [32], 'Atoms-in-Molecule,': [34], 'is': [35], 'subsequently': [36], 'related': [37], 'to': [38, 51], 'vitro': [40, 81], 'cytotoxicity.': [41], 'density': [44], 'transfer': [45], 'from': [46], 'relevant': [48], 'active': [49, 103], 'sites': [50], 'Cu': [52], 'decreases': [53], 'sequence': [56], 'irinotecan': [57, 84], '>': [58, 60], 'SN-38': [59, 96], 'camptothecin.': [61], 'absolute': [63], 'values': [64], 'metal-ligand': [67], 'interaction': [68], 'energies': [69], 'exhibit': [70], 'same': [72], 'trend.': [73], 'discrepancy': [75], 'with': [76], 'least': [78], 'relative': [79], 'cytotoxicity': [82], 'can': [85], 'be': [86], 'explained': [87], 'by': [88], 'its': [89, 93], 'anticancer': [90], 'action': [91], 'through': [92], 'minor': [94], 'metabolite': [95], 'which': [97], 'reduces': [98], 'concentration': [100], 'lactone': [104], 'form.': [105]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W4225948320', 'counts_by_year': [], 'updated_date': '2024-12-08T11:58:43.127941', 'created_date': '2022-05-05'}