Publication Information

{'id': 'https://openalex.org/W2022246373', 'doi': 'https://doi.org/10.1002/(sici)1097-4555(199801)29:1<81::aid-jrs214>3.0.co;2-h', 'title': 'Ab initio molecular orbital study of the amide I vibrational interactions between the peptide groups in di- and tripeptides and considerations on the conformation of the extended helix', 'display_name': 'Ab initio molecular orbital study of the amide I vibrational interactions between the peptide groups in di- and tripeptides and considerations on the conformation of the extended helix', 'publication_year': 1998, 'publication_date': '1998-01-01', 'ids': {'openalex': 'https://openalex.org/W2022246373', 'doi': 'https://doi.org/10.1002/(sici)1097-4555(199801)29:1<81::aid-jrs214>3.0.co;2-h', 'mag': '2022246373'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1002/(sici)1097-4555(199801)29:1<81::aid-jrs214>3.0.co;2-h', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4206644', 'display_name': 'Journal of Raman Spectroscopy', 'issn_l': '0377-0486', 'issn': ['0377-0486', '1097-4555'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320595', 'host_organization_name': 'Wiley', 'host_organization_lineage': ['https://openalex.org/P4310320595'], 'host_organization_lineage_names': ['Wiley'], 'type': 'journal'}, '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/A5079721270', 'display_name': 'Hajime Torii', 'orcid': 'https://orcid.org/0000-0002-6061-9599'}, 'institutions': [{'id': 'https://openalex.org/I161296585', 'display_name': 'Tokyo University of Science', 'ror': 'https://ror.org/05sj3n476', 'country_code': 'JP', 'type': 'education', 'lineage': ['https://openalex.org/I161296585']}, {'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': 'Hajime Torii', 'raw_affiliation_strings': ['Department of Chemistry, School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113, Japan'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113, Japan', 'institution_ids': ['https://openalex.org/I161296585', 'https://openalex.org/I74801974']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5066271689', 'display_name': 'Mitsuo Tasumi', 'orcid': 'https://orcid.org/0000-0001-5380-3665'}, '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']}, {'id': 'https://openalex.org/I161296585', 'display_name': 'Tokyo University of Science', 'ror': 'https://ror.org/05sj3n476', 'country_code': 'JP', 'type': 'education', 'lineage': ['https://openalex.org/I161296585']}], 'countries': ['JP'], 'is_corresponding': False, 'raw_author_name': 'Mitsuo Tasumi', 'raw_affiliation_strings': ['Department of Chemistry, School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113, Japan'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113, Japan', 'institution_ids': ['https://openalex.org/I74801974', 'https://openalex.org/I161296585']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 2, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': {'value': 5050, 'currency': 'USD', 'value_usd': 5050, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 2.145, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 262, 'citation_normalized_percentile': {'value': 0.984462, 'is_in_top_1_percent': False, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 98, 'max': 99}, 'biblio': {'volume': '29', 'issue': '1', 'first_page': '81', 'last_page': '86'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T12748', 'display_name': 'Molecular spectroscopy and chirality', 'score': 0.9906, 'subfield': {'id': 'https://openalex.org/subfields/1607', 'display_name': 'Spectroscopy'}, '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/T12748', 'display_name': 'Molecular spectroscopy and chirality', 'score': 0.9906, 'subfield': {'id': 'https://openalex.org/subfields/1607', 'display_name': 'Spectroscopy'}, '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/T10432', 'display_name': 'DNA and Nucleic Acid Chemistry', 'score': 0.9844, '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'}}, {'id': 'https://openalex.org/T10911', 'display_name': 'Chemical Synthesis and Analysis', 'score': 0.9842, '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/tripeptide', 'display_name': 'Tripeptide', 'score': 0.6930207}, {'id': 'https://openalex.org/keywords/amide', 'display_name': 'Amide', 'score': 0.59373605}, {'id': 'https://openalex.org/keywords/rotational–vibrational-coupling', 'display_name': 'Rotational–vibrational coupling', 'score': 0.46504417}, {'id': 'https://openalex.org/keywords/coupling-constant', 'display_name': 'Coupling constant', 'score': 0.45646727}, {'id': 'https://openalex.org/keywords/wavenumber', 'display_name': 'Wavenumber', 'score': 0.42252862}], 'concepts': [{'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.7344249}, {'id': 'https://openalex.org/C167392928', 'wikidata': 'https://www.wikidata.org/wiki/Q4820777', 'display_name': 'Tripeptide', 'level': 3, 'score': 0.6930207}, {'id': 'https://openalex.org/C2778439535', 'wikidata': 'https://www.wikidata.org/wiki/Q188777', 'display_name': 'Amide', 'level': 2, 'score': 0.59373605}, {'id': 'https://openalex.org/C8010536', 'wikidata': 'https://www.wikidata.org/wiki/Q160398', 'display_name': 'Crystallography', 'level': 1, 'score': 0.5911063}, {'id': 'https://openalex.org/C40003534', 'wikidata': 'https://www.wikidata.org/wiki/Q862228', 'display_name': 'Raman spectroscopy', 'level': 2, 'score': 0.5246311}, {'id': 'https://openalex.org/C2781442258', 'wikidata': 'https://www.wikidata.org/wiki/Q46310', 'display_name': 'Ab initio', 'level': 2, 'score': 0.5169134}, {'id': 'https://openalex.org/C71515424', 'wikidata': 'https://www.wikidata.org/wiki/Q7370329', 'display_name': 'Rotational–vibrational coupling', 'level': 3, 'score': 0.46504417}, {'id': 'https://openalex.org/C183276030', 'wikidata': 'https://www.wikidata.org/wiki/Q1193095', 'display_name': 'Coupling constant', 'level': 2, 'score': 0.45646727}, {'id': 'https://openalex.org/C2779281246', 'wikidata': 'https://www.wikidata.org/wiki/Q172847', 'display_name': 'Peptide', 'level': 2, 'score': 0.44691545}, {'id': 'https://openalex.org/C173523689', 'wikidata': 'https://www.wikidata.org/wiki/Q215589', 'display_name': 'Dipole', 'level': 2, 'score': 0.44285297}, {'id': 'https://openalex.org/C121130766', 'wikidata': 'https://www.wikidata.org/wiki/Q192510', 'display_name': 'Wavenumber', 'level': 2, 'score': 0.42252862}, {'id': 'https://openalex.org/C24123453', 'wikidata': 'https://www.wikidata.org/wiki/Q900121', 'display_name': 'Molecular vibration', 'level': 3, 'score': 0.41240144}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.33233115}, {'id': 'https://openalex.org/C153642686', 'wikidata': 'https://www.wikidata.org/wiki/Q70906', 'display_name': 'Infrared spectroscopy', 'level': 2, 'score': 0.29736453}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.23800996}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.11563605}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.110980004}, {'id': 'https://openalex.org/C120665830', 'wikidata': 'https://www.wikidata.org/wiki/Q14620', 'display_name': 'Optics', 'level': 1, 'score': 0.06892112}, {'id': 'https://openalex.org/C55493867', 'wikidata': 'https://www.wikidata.org/wiki/Q7094', 'display_name': 'Biochemistry', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C109214941', 'wikidata': 'https://www.wikidata.org/wiki/Q18334', 'display_name': 'Particle physics', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1002/(sici)1097-4555(199801)29:1<81::aid-jrs214>3.0.co;2-h', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4206644', 'display_name': 'Journal of Raman Spectroscopy', 'issn_l': '0377-0486', 'issn': ['0377-0486', '1097-4555'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320595', 'host_organization_name': 'Wiley', 'host_organization_lineage': ['https://openalex.org/P4310320595'], 'host_organization_lineage_names': ['Wiley'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 0, 'referenced_works': [], 'related_works': ['https://openalex.org/W4353016746', 'https://openalex.org/W4255840780', 'https://openalex.org/W4233470512', 'https://openalex.org/W3106590054', 'https://openalex.org/W3035564671', 'https://openalex.org/W2949173953', 'https://openalex.org/W2604832613', 'https://openalex.org/W2170794182', 'https://openalex.org/W2024396914', 'https://openalex.org/W1983518360'], 'abstract_inverted_index': {'Interrelationships': [0], 'among': [1], 'the': [2, 5, 12, 17, 22, 55, 59, 64, 72, 81, 85, 95, 101, 105, 120, 126, 136, 148, 153, 157, 165, 169, 197, 206, 237, 246, 250, 259, 274, 277], 'coupling': [3, 56, 82, 98, 102, 140], 'between': [4, 58, 69, 84, 104], 'amide': [6, 18, 60, 127, 158, 207, 281], 'I': [7, 19, 61, 128, 159, 208, 282], 'vibrations': [8, 62], 'of': [9, 16, 24, 63, 71, 119, 125, 138, 156, 201, 210, 236, 249, 258, 276], 'peptide': [10, 66, 75, 88, 107], 'groups,': [11], 'A–E1': [13], 'wavenumber': [14, 199, 244], 'difference': [15, 200], 'mode': [20, 129], 'and': [21, 43, 50, 68, 122, 212, 261, 280], 'conformation': [23], 'helical': [25], 'polypeptide': [26], 'chains': [27, 217], 'were': [28, 37, 90, 130], 'examined': [29], 'theoretically.': [30], 'Ab': [31], 'initio': [32], 'molecular': [33], 'orbital': [34], '(MO)': [35], 'calculations': [36], 'performed': [38], 'for': [39, 132, 205], 'a': [40, 44, 173, 189], 'glycine': [41, 45], 'dipeptide': [42], 'tripeptide': [46], 'with': [47, 214, 267], 'various': [48, 133], 'ϕ': [49, 260], 'ψ': [51, 262], 'angles': [52, 263], 'to': [53, 164, 182, 232], 'obtain': [54], 'constants': [57, 83, 103], 'nearest': [65, 74, 87, 106], 'groups': [67, 89, 108], 'those': [70], 'second': [73, 86], 'groups.': [76], 'It': [77], 'was': [78], 'found': [79], 'that': [80, 112, 219, 223, 264], 'reasonably': [91], 'well': [92], 'explained': [93], 'by': [94, 253], 'transition': [96, 154], 'dipole': [97, 155], 'mechanism,': [99], 'whereas': [100, 168], 'contained': [109], 'other': [110], 'factors': [111], 'mainly': [113], 'depended': [114], 'on': [115, 135, 273], 'ψ.': [116], 'The': [117, 142, 185, 256], 'wavenumbers': [118], 'A': [121, 143, 186, 251], 'E1': [123, 170, 238], 'components': [124], 'calculated': [131, 278], 'helices': [134], 'basis': [137, 275], 'these': [139, 220], 'constants.': [141], 'component': [144, 171, 187, 239, 252], 'is': [145, 161], 'strong': [146, 174, 190, 233], 'in': [147, 193, 222, 243], 'infrared': [149], '(IR)': [150], 'spectrum': [151], 'when': [152, 177], 'vibration': [160], 'nearly': [162, 180], 'parallel': [163], 'helix': [166], 'axis,': [167], 'has': [172, 188], 'IR': [175, 234], 'intensity': [176, 192], 'they': [178], 'are': [179, 241, 265, 271], 'perpendicular': [181], 'each': [183], 'other.': [184], 'Raman': [191, 247], 'both': [194], 'cases.': [195], 'Therefore,': [196], 'Raman–infrared': [198], '10–20': [202, 254], 'cm-1': [203], 'observed': [204], 'bands': [209, 235, 248], 'poly(L-glutamate)': [211], 'poly(L-lysine)': [213], 'charged': [215], 'side': [216], 'indicates': [218], 'polypeptides,': [221], 'so-called': [224], '‘extended': [225], 'helix’': [226], 'state,': [227], 'have': [228], 'conformations': [229], 'giving': [230], 'rise': [231], 'which': [240], 'lower': [242], 'than': [245], 'cm-1.': [255], 'ranges': [257], 'consistent': [266], 'such': [268], 'spectral': [269], 'features': [270], 'discussed': [272], 'structures': [279], 'wavenumbers.': [283], '©': [284], '1998': [285], 'John': [286], 'Wiley': [287], '&': [288], 'Sons,': [289], 'Ltd.': [290]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2022246373', 'counts_by_year': [{'year': 2024, 'cited_by_count': 7}, {'year': 2023, 'cited_by_count': 7}, {'year': 2022, 'cited_by_count': 3}, {'year': 2021, 'cited_by_count': 6}, {'year': 2020, 'cited_by_count': 9}, {'year': 2019, 'cited_by_count': 5}, {'year': 2018, 'cited_by_count': 6}, {'year': 2017, 'cited_by_count': 10}, {'year': 2016, 'cited_by_count': 5}, {'year': 2015, 'cited_by_count': 7}, {'year': 2014, 'cited_by_count': 9}, {'year': 2013, 'cited_by_count': 16}, {'year': 2012, 'cited_by_count': 12}], 'updated_date': '2024-12-10T12:20:18.998661', 'created_date': '2016-06-24'}