{"created":"2021-03-01T06:33:53.616590+00:00","id":26009,"links":{},"metadata":{"_buckets":{"deposit":"12f3678b-8eb4-470f-86f0-21d20b5ca472"},"_deposit":{"id":"26009","owners":[],"pid":{"revision_id":0,"type":"depid","value":"26009"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00026009","sets":["1935:1936:1937"]},"author_link":["77255","77256","77257","77258"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-01-11","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1","bibliographicPageEnd":"296","bibliographicPageStart":"290","bibliographicVolumeNumber":"122","bibliographic_titles":[{"bibliographic_title":"The Journal of Physical Chemistry B","bibliographic_titleLang":"en"}]}]},"item_10_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"The importance of solvation effects on the stability of glucose anomers has been studied by the combination of quantum mechanics and statistical mechanics, namely, the reference interaction site model self-consistent field spatial electron density distribution. The preferences of α- and β-glucose in H2O are well reproduced with the obtained ratio of 35:65 for α- and β-glucose, respectively. Indirect interactions and bulk effects, described by the Onsager model, are relatively small compared to the direct solute–solvent interactions, especially in [DMIM]Cl and dimethyl sulfoxide. From the decomposition of solvation free energy and solvation structures, it can be seen that the interactions with the solvent molecules greatly contribute to the anomer preferences.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_10_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"ACS Publications","subitem_publisher_language":"en"}]},"item_10_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1021/acs.jpcb.7b10270","subitem_relation_type_select":"DOI"}}]},"item_10_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"“This document is the Accepted Manuscript version of a Published Work that appeared in final form in [The Journal of Physical Chemistry B], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [http://pubs.acs.org/articlesonrequest/AOR-Bparh49SK2inrAfXNWei].” ","subitem_rights_language":"en"}]},"item_10_select_15":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"author"}]},"item_10_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1520-6106","subitem_source_identifier_type":"PISSN"}]},"item_1615787544753":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Arifin","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"77255","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Yokogawa, Daisuke","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"77256","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Schnupf, Udo","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"77257","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Irle, Stephan","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"77258","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-12-11"}],"displaytype":"detail","filename":"arifin_a-b-glucose_revised_171204.pdf","filesize":[{"value":"7.2 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"arifin_a-b-glucose_revised_171204","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/26009/files/arifin_a-b-glucose_revised_171204.pdf"},"version_id":"e1ae1ef8-10f5-4f8b-aabf-effa7822f1c0"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Statistical Mechanics-Based Theoretical Investigation of Solvation Effects on Glucose Anomer Preferences","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Statistical Mechanics-Based Theoretical Investigation of Solvation Effects on Glucose Anomer Preferences","subitem_title_language":"en"}]},"item_type_id":"10","owner":"1","path":["1937"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2018-05-23"},"publish_date":"2018-05-23","publish_status":"0","recid":"26009","relation_version_is_last":true,"title":["Statistical Mechanics-Based Theoretical Investigation of Solvation Effects on Glucose Anomer Preferences"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:28:04.679400+00:00"}