Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2964327095', 'doi': 'https://doi.org/10.1038/s41598-019-46725-4', 'title': 'C70 Fullerene Cage as a Novel Catalyst for Efficient Proton Transfer Reactions between Small Molecules: A Theoretical study', 'display_name': 'C70 Fullerene Cage as a Novel Catalyst for Efficient Proton Transfer Reactions between Small Molecules: A Theoretical study', 'publication_year': 2019, 'publication_date': '2019-07-23', 'ids': {'openalex': 'https://openalex.org/W2964327095', 'doi': 'https://doi.org/10.1038/s41598-019-46725-4', 'mag': '2964327095', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/31337790', 'pmcid': 'https://www.ncbi.nlm.nih.gov/pmc/articles/6650427'}, 'language': 'en', 'primary_location': {'is_oa': True, 'landing_page_url': 'https://doi.org/10.1038/s41598-019-46725-4', 'pdf_url': 'https://www.nature.com/articles/s41598-019-46725-4.pdf', 'source': {'id': 'https://openalex.org/S196734849', 'display_name': 'Scientific Reports', 'issn_l': '2045-2322', 'issn': ['2045-2322'], 'is_oa': True, 'is_in_doaj': True, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319908', 'host_organization_name': 'Nature Portfolio', 'host_organization_lineage': ['https://openalex.org/P4310319908', 'https://openalex.org/P4310319965'], 'host_organization_lineage_names': ['Nature Portfolio', 'Springer Nature'], 'type': 'journal'}, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref'], 'open_access': {'is_oa': True, 'oa_status': 'gold', 'oa_url': 'https://www.nature.com/articles/s41598-019-46725-4.pdf', 'any_repository_has_fulltext': True}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5051428378', 'display_name': 'Pradeep R. Varadwaj', 'orcid': 'https://orcid.org/0000-0002-7102-3133'}, 'institutions': [{'id': 'https://openalex.org/I74801974', 'display_name': 'The University of Tokyo', 'ror': 'https://ror.org/057zh3y96', 'country_code': 'JP', 'type': 'education', 'lineage': ['https://openalex.org/I74801974']}], 'countries': ['JP'], 'is_corresponding': False, 'raw_author_name': 'Pradeep R. Varadwaj', 'raw_affiliation_strings': ['Department of Chemical System Engineering, School of Engineering, The University of Tokyo 7-3-1, Hongo, Bunkyo-ku, 113-8656, Japan'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemical System Engineering, School of Engineering, The University of Tokyo 7-3-1, Hongo, Bunkyo-ku, 113-8656, Japan', 'institution_ids': ['https://openalex.org/I74801974']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5087136489', 'display_name': 'Arpita Varadwaj', 'orcid': 'https://orcid.org/0000-0001-8779-789X'}, 'institutions': [{'id': 'https://openalex.org/I74801974', 'display_name': 'The University of Tokyo', 'ror': 'https://ror.org/057zh3y96', 'country_code': 'JP', 'type': 'education', 'lineage': ['https://openalex.org/I74801974']}], 'countries': ['JP'], 'is_corresponding': False, 'raw_author_name': 'Arpita Varadwaj', 'raw_affiliation_strings': ['Department of Chemical System Engineering, School of Engineering, The University of Tokyo 7-3-1, Hongo, Bunkyo-ku, 113-8656, Japan'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemical System Engineering, School of Engineering, The University of Tokyo 7-3-1, Hongo, Bunkyo-ku, 113-8656, Japan', 'institution_ids': ['https://openalex.org/I74801974']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5080064731', 'display_name': 'Helder M. Marques', 'orcid': 'https://orcid.org/0000-0003-1675-3835'}, 'institutions': [{'id': 'https://openalex.org/I192619145', 'display_name': 'University of the Witwatersrand', 'ror': 'https://ror.org/03rp50x72', 'country_code': 'ZA', 'type': 'education', 'lineage': ['https://openalex.org/I192619145']}], 'countries': ['ZA'], 'is_corresponding': False, 'raw_author_name': 'Helder M. Marques', 'raw_affiliation_strings': ['Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg, 2050, South Africa'], 'affiliations': [{'raw_affiliation_string': 'Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg, 2050, South Africa', 'institution_ids': ['https://openalex.org/I192619145']}]}], 'institution_assertions': [], 'countries_distinct_count': 2, 'institutions_distinct_count': 2, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': {'value': 1890, 'currency': 'EUR', 'value_usd': 2190, 'provenance': 'doaj'}, 'apc_paid': {'value': 1890, 'currency': 'EUR', 'value_usd': 2190, 'provenance': 'doaj'}, 'fwci': 0.57, 'has_fulltext': True, 'fulltext_origin': 'pdf', 'cited_by_count': 13, 'citation_normalized_percentile': {'value': 0.721877, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 88, 'max': 89}, 'biblio': {'volume': '9', 'issue': '1', 'first_page': None, 'last_page': None}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10956', 'display_name': 'Fullerene Chemistry and Applications', 'score': 0.9997, 'subfield': {'id': 'https://openalex.org/subfields/1605', 'display_name': 'Organic Chemistry'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, 'topics': [{'id': 'https://openalex.org/T10956', 'display_name': 'Fullerene Chemistry and Applications', 'score': 0.9997, 'subfield': {'id': 'https://openalex.org/subfields/1605', 'display_name': 'Organic 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/T10002', 'display_name': 'Advanced Chemical Physics Studies', 'score': 0.9986, 'subfield': {'id': 'https://openalex.org/subfields/3107', 'display_name': 'Atomic and Molecular Physics, and Optics'}, 'field': {'id': 'https://openalex.org/fields/31', 'display_name': 'Physics and Astronomy'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T10477', 'display_name': 'Astrophysics and Star Formation Studies', 'score': 0.9953, 'subfield': {'id': 'https://openalex.org/subfields/3103', 'display_name': 'Astronomy and Astrophysics'}, 'field': {'id': 'https://openalex.org/fields/31', 'display_name': 'Physics and Astronomy'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/endohedral-fullerene', 'display_name': 'Endohedral fullerene', 'score': 0.48537362}, {'id': 'https://openalex.org/keywords/polarizable-continuum-model', 'display_name': 'Polarizable continuum model', 'score': 0.43515807}], 'concepts': [{'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.6872634}, {'id': 'https://openalex.org/C162862793', 'wikidata': 'https://www.wikidata.org/wiki/Q178026', 'display_name': 'Fullerene', 'level': 2, 'score': 0.6631165}, {'id': 'https://openalex.org/C54516573', 'wikidata': 'https://www.wikidata.org/wiki/Q2294', 'display_name': 'Proton', 'level': 2, 'score': 0.61768985}, {'id': 'https://openalex.org/C145148216', 'wikidata': 'https://www.wikidata.org/wiki/Q36496', 'display_name': 'Ion', 'level': 2, 'score': 0.5758869}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.5663863}, {'id': 'https://openalex.org/C198291218', 'wikidata': 'https://www.wikidata.org/wiki/Q190382', 'display_name': 'Ionization', 'level': 3, 'score': 0.562744}, {'id': 'https://openalex.org/C123669783', 'wikidata': 'https://www.wikidata.org/wiki/Q902898', 'display_name': 'Electron transfer', 'level': 2, 'score': 0.52890766}, {'id': 'https://openalex.org/C161790260', 'wikidata': 'https://www.wikidata.org/wiki/Q82264', 'display_name': 'Catalysis', 'level': 2, 'score': 0.50980014}, {'id': 'https://openalex.org/C45474811', 'wikidata': 'https://www.wikidata.org/wiki/Q385413', 'display_name': 'Endohedral fullerene', 'level': 3, 'score': 0.48537362}, {'id': 'https://openalex.org/C152365726', 'wikidata': 'https://www.wikidata.org/wiki/Q1048589', 'display_name': 'Density functional theory', 'level': 2, 'score': 0.4576977}, {'id': 'https://openalex.org/C2776122248', 'wikidata': 'https://www.wikidata.org/wiki/Q3510715', 'display_name': 'Polarizable continuum model', 'level': 4, 'score': 0.43515807}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.35571963}, {'id': 'https://openalex.org/C159467904', 'wikidata': 'https://www.wikidata.org/wiki/Q2001702', 'display_name': 'Chemical physics', 'level': 1, 'score': 0.3347438}, {'id': 'https://openalex.org/C8010536', 'wikidata': 'https://www.wikidata.org/wiki/Q160398', 'display_name': 'Crystallography', 'level': 1, 'score': 0.3329296}, {'id': 'https://openalex.org/C75473681', 'wikidata': 'https://www.wikidata.org/wiki/Q188651', 'display_name': 'Photochemistry', 'level': 1, 'score': 0.30231607}, {'id': 'https://openalex.org/C148093993', 'wikidata': 'https://www.wikidata.org/wiki/Q739398', 'display_name': 'Solvation', 'level': 3, 'score': 0.15598744}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.07504213}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 2, 'locations': [{'is_oa': True, 'landing_page_url': 'https://doi.org/10.1038/s41598-019-46725-4', 'pdf_url': 'https://www.nature.com/articles/s41598-019-46725-4.pdf', 'source': {'id': 'https://openalex.org/S196734849', 'display_name': 'Scientific Reports', 'issn_l': '2045-2322', 'issn': ['2045-2322'], 'is_oa': True, 'is_in_doaj': True, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319908', 'host_organization_name': 'Nature Portfolio', 'host_organization_lineage': ['https://openalex.org/P4310319908', 'https://openalex.org/P4310319965'], 'host_organization_lineage_names': ['Nature Portfolio', 'Springer Nature'], 'type': 'journal'}, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, {'is_oa': True, 'landing_page_url': 'https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6650427', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S2764455111', 'display_name': 'PubMed Central', 'issn_l': None, 'issn': None, 'is_oa': True, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1299303238', 'host_organization_name': 'National Institutes of Health', 'host_organization_lineage': ['https://openalex.org/I1299303238'], 'host_organization_lineage_names': ['National Institutes of Health'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}], 'best_oa_location': {'is_oa': True, 'landing_page_url': 'https://doi.org/10.1038/s41598-019-46725-4', 'pdf_url': 'https://www.nature.com/articles/s41598-019-46725-4.pdf', 'source': {'id': 'https://openalex.org/S196734849', 'display_name': 'Scientific Reports', 'issn_l': '2045-2322', 'issn': ['2045-2322'], 'is_oa': True, 'is_in_doaj': True, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319908', 'host_organization_name': 'Nature Portfolio', 'host_organization_lineage': ['https://openalex.org/P4310319908', 'https://openalex.org/P4310319965'], 'host_organization_lineage_names': ['Nature Portfolio', 'Springer Nature'], 'type': 'journal'}, 'license': 'cc-by', 'license_id': 'https://openalex.org/licenses/cc-by', 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 75, 'referenced_works': ['https://openalex.org/W1481865419', 'https://openalex.org/W1578352082', 'https://openalex.org/W1597773817', 'https://openalex.org/W1964585075', 'https://openalex.org/W1970122371', 'https://openalex.org/W1976267990', 'https://openalex.org/W1987509283', 'https://openalex.org/W1992858798', 'https://openalex.org/W1995898514', 'https://openalex.org/W2004008776', 'https://openalex.org/W2009293880', 'https://openalex.org/W2012508798', 'https://openalex.org/W2018764708', 'https://openalex.org/W2021944970', 'https://openalex.org/W2029667189', 'https://openalex.org/W2036583606', 'https://openalex.org/W2037712534', 'https://openalex.org/W2039346309', 'https://openalex.org/W2042629681', 'https://openalex.org/W2047021826', 'https://openalex.org/W2049394618', 'https://openalex.org/W2053227378', 'https://openalex.org/W2053431415', 'https://openalex.org/W2054220330', 'https://openalex.org/W2060527124', 'https://openalex.org/W2062932475', 'https://openalex.org/W2072557921', 'https://openalex.org/W2078608462', 'https://openalex.org/W2079053731', 'https://openalex.org/W2081943034', 'https://openalex.org/W2083088401', 'https://openalex.org/W2088932085', 'https://openalex.org/W2093880244', 'https://openalex.org/W2104919283', 'https://openalex.org/W2106824077', 'https://openalex.org/W2119596444', 'https://openalex.org/W2123176327', 'https://openalex.org/W2126031985', 'https://openalex.org/W2127400370', 'https://openalex.org/W2129185952', 'https://openalex.org/W2132525235', 'https://openalex.org/W2141432534', 'https://openalex.org/W2157677712', 'https://openalex.org/W2163461277', 'https://openalex.org/W2166817385', 'https://openalex.org/W2183218943', 'https://openalex.org/W2258497300', 'https://openalex.org/W2280605182', 'https://openalex.org/W2295886522', 'https://openalex.org/W2312694693', 'https://openalex.org/W2318309658', 'https://openalex.org/W2321946703', 'https://openalex.org/W2327643971', 'https://openalex.org/W2328508529', 'https://openalex.org/W2335995141', 'https://openalex.org/W2467534316', 'https://openalex.org/W2472913843', 'https://openalex.org/W2586598850', 'https://openalex.org/W2606957997', 'https://openalex.org/W2623998668', 'https://openalex.org/W2626941773', 'https://openalex.org/W2692515715', 'https://openalex.org/W2750726060', 'https://openalex.org/W2765862988', 'https://openalex.org/W2775289820', 'https://openalex.org/W2788207110', 'https://openalex.org/W2789144248', 'https://openalex.org/W2790332597', 'https://openalex.org/W2806022707', 'https://openalex.org/W2810287323', 'https://openalex.org/W2883402588', 'https://openalex.org/W2883860643', 'https://openalex.org/W2952396706', 'https://openalex.org/W4240548685', 'https://openalex.org/W4249863921'], 'related_works': ['https://openalex.org/W4232927763', 'https://openalex.org/W4211043593', 'https://openalex.org/W4211030891', 'https://openalex.org/W3199040264', 'https://openalex.org/W3108978580', 'https://openalex.org/W2510517330', 'https://openalex.org/W2163201602', 'https://openalex.org/W2032416519', 'https://openalex.org/W1842790229', 'https://openalex.org/W1670075698'], 'abstract_inverted_index': {'Abstract': [0], 'When': [1], 'acids': [2], 'are': [3, 246], 'supplied': [4], 'with': [5, 104, 203, 250, 271], 'an': [6, 12, 52, 56, 120, 178, 226], 'excess': [7], 'electron': [8, 54, 236], '(or': [9], 'placed': [10], 'in': [11, 21, 71, 138, 150, 154, 257, 297], 'Ar': [13], 'or': [14, 55, 59, 69], 'the': [15, 22, 31, 72, 91, 94, 108, 111, 117, 136, 155, 164, 167, 172, 187, 212, 251, 264, 272, 275, 281, 294, 307, 313], 'more': [16], 'polarizable': [17], 'N': [18], '2': [19, 126, 159, 209, 223], 'matrix)': [20], 'presence': [23, 73, 156], 'of': [24, 33, 67, 74, 78, 90, 93, 107, 119, 140, 157, 166, 174, 189, 199, 207, 274, 283, 293, 306, 312], 'species': [25, 266, 296], 'such': [26], 'as': [27, 229], 'NH': [28], '3': [29], ',': [30], 'formation': [32, 118], 'ion-pairs': [34], 'is': [35, 86, 146, 177, 201, 225, 300], 'a': [36, 64, 75, 81, 141, 196, 204, 304], 'likely': [37, 301], 'outcome.': [38], 'Using': [39], 'density': [40], 'functional': [41], 'theory': [42], 'and': [43, 62, 100, 186, 240], 'first-principles': [44], 'calculations,': [45], 'however,': [46], 'we': [47, 261], 'show': [48, 262, 279], 'that,': [49], 'without': [50, 161], 'supplying': [51], 'external': [53], 'electric': [57], 'field,': [58], 'introducing': [60], 'photo-excitation': [61], '-ionization,': [63], 'single': [65, 76, 197, 205], 'molecule': [66, 77, 198, 206], 'HCl': [68], 'HBr': [70], 'water': [79, 139], 'inside': [80, 211], 'C': [82, 175, 213], '70': [83, 176, 214], 'fullerene': [84, 152], 'cage': [85], 'susceptible': [87], 'to': [88, 116, 135, 148, 221, 286, 302], 'cleavage': [89], 'σ-bond': [92], 'Brønsted-Lowry': [95], 'acid': [96], 'into': [97], 'X': [98, 121], '−': [99, 122], 'H': [101, 158, 208, 222], '+': [102, 124], 'ions,': [103], 'concomitant': [105], 'transfer': [106, 184], 'proton': [109, 183, 217], 'along': [110], 'reaction': [112], 'coordinate.': [113], 'This': [114, 144], 'leads': [115], '···': [123], 'HOH': [125], '(X': [127], '=': [128], 'Cl,': [129], 'Br)': [130], 'conjugate': [131], 'acid-base': [132], 'ion-pair,': [133], 'similar': [134], 'structure': [137], 'Zundel': [142], 'ion.': [143], 'process': [145], 'unlikely': [147], 'occur': [149], 'other': [151], 'derivatives': [153], 'O': [160, 210, 224], 'significantly': [162], 'affecting': [163], 'geometry': [165], 'carbon': [168], 'cage,': [169, 215], 'suggesting': [170], 'that': [171, 253, 263, 280], 'interior': [173, 273], 'ideal': [179], 'catalytic': [180], 'platform': [181], 'for': [182], 'reactions': [185], 'design': [188], 'related': [190], 'novel': [191], 'materials.': [192], 'By': [193], 'contrast,': [194], 'when': [195], 'HF': [200, 220], 'reacted': [202], 'partial': [216], 'transfers': [218], 'from': [219], 'immediate': [227], 'consequence,': [228], 'recently': [230], 'observed': [231], 'experimentally.': [232], 'The': [233], 'geometrical,': [234], 'energetic,': [235], 'density,': [237], 'orbital,': [238], 'optoelectronic': [239], 'vibrational': [241, 291], 'characteristics': [242], 'supporting': [243], 'these': [244, 298], 'observations': [245], 'presented.': [247], 'In': [248], 'contrast': [249], 'views': [252], 'have': [254], 'been': [255], 'advanced': [256], 'several': [258], 'recent': [259], 'studies,': [260], 'encaged': [265], 'experiences': [267], 'significant': [268], 'non-covalent': [269], 'interaction': [270], 'cage.': [276, 314], 'We': [277], 'also': [278], 'inability': [282], 'current': [284], 'experiments': [285], 'detect': [287], 'many': [288], 'infrared': [289], 'active': [290], 'bands': [292], 'endo': [295], 'systems': [299], 'be': [303], 'consequence': [305], 'substantial': [308], 'electrostatic': [309], 'screening': [310], 'effect': [311]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2964327095', 'counts_by_year': [{'year': 2024, 'cited_by_count': 3}, {'year': 2023, 'cited_by_count': 4}, {'year': 2022, 'cited_by_count': 2}, {'year': 2021, 'cited_by_count': 3}, {'year': 2020, 'cited_by_count': 1}], 'updated_date': '2024-12-11T19:12:03.876996', 'created_date': '2019-07-30'}