{"_buckets": {"deposit": "73b3bf43-9f1f-4dee-acda-7050e8d7efea"}, "_deposit": {"id": "18743", "owners": [], "pid": {"revision_id": 0, "type": "depid", "value": "18743"}, "status": "published"}, "_oai": {"id": "oai:nagoya.repo.nii.ac.jp:00018743", "sets": ["322"]}, "author_link": ["54650", "54651", "54652", "54653"], "item_10_biblio_info_6": {"attribute_name": "書誌情報", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2012-04", "bibliographicIssueDateType": "Issued"}, "bibliographicPageEnd": "155104", "bibliographicPageStart": "155104", "bibliographicVolumeNumber": "136", "bibliographic_titles": [{"bibliographic_title": "The Journal of Chemical Physics", "bibliographic_titleLang": "en"}]}]}, "item_10_description_4": {"attribute_name": "抄録", "attribute_value_mlt": [{"subitem_description": "Free energy profile of a pair of cholesterol molecules in a leaflet of 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPC) bilayers in the liquid-crystalline phase has been calculated as a function of their lateral distance using a combination of NPT-constant atomistic molecular dynamics calculations (P = 1 atm and T = 310.15 K) and the thermodynamic integration method. The calculated free energy clearly shows that the two cholesterol molecules form a dimer separated by a distance of 1.0−1.5 nm in POPC bilayers. Well depth of the free energy profile is about 3.5 kJ/mol, which is comparable to the thermal energy k B T at 310.15 K. This indicates that the aggregation of cholesterol molecules in the bilayers depends on the temperature as well as the concentration of the system. The free energy function obtained here may be used as a reference when coarse grained potential model is investigated for this two-component system. Local structure of POPC molecules around two cholesterol molecules has also been investigated.", "subitem_description_language": "en", "subitem_description_type": "Abstract"}]}, "item_10_identifier_60": {"attribute_name": "URI", "attribute_value_mlt": [{"subitem_identifier_type": "DOI", "subitem_identifier_uri": "http://dx.doi.org/10.1063/1.4704740"}, {"subitem_identifier_type": "HDL", "subitem_identifier_uri": "http://hdl.handle.net/2237/20839"}]}, "item_10_publisher_32": {"attribute_name": "出版者", "attribute_value_mlt": [{"subitem_publisher": "AIP Publishing", "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/10.1063/1.4704740", "subitem_relation_type_select": "DOI"}}]}, "item_10_rights_12": {"attribute_name": "権利", "attribute_value_mlt": [{"subitem_rights": "© 2012 American Institute of Physics", "subitem_rights_language": "en"}]}, "item_10_select_15": {"attribute_name": "著者版フラグ", "attribute_value_mlt": [{"subitem_select_item": "publisher"}]}, "item_10_source_id_7": {"attribute_name": "ISSN", "attribute_value_mlt": [{"subitem_source_identifier": "0021-9606", "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_970fb48d4fbd8a85", "subitem_version_type": "VoR"}]}, "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": "Andoh, Yoshimichi", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "54650", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Oono, Kimiko", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "54651", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Okazaki, Susumu", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "54652", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Hatta, Ichiro", "creatorNameLang": "en"}], "nameIdentifiers": [{"nameIdentifier": "54653", "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": "2018-02-21"}], "displaytype": "detail", "download_preview_message": "", "file_order": 0, "filename": "1_4704740.pdf", "filesize": [{"value": "731.7 kB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_note", "mimetype": "application/pdf", "size": 731700.0, "url": {"label": "1_4704740.pdf", "objectType": "fulltext", "url": "https://nagoya.repo.nii.ac.jp/record/18743/files/1_4704740.pdf"}, "version_id": "5a805dfd-45d1-4a3c-bb88-d68bcc3e0ca2"}]}, "item_keyword": {"attribute_name": "キーワード", "attribute_value_mlt": [{"subitem_subject": "Free energy", "subitem_subject_scheme": "Other"}, {"subitem_subject": "Lipids", "subitem_subject_scheme": "Other"}, {"subitem_subject": "Molecular dynamics", "subitem_subject_scheme": "Other"}, {"subitem_subject": "Statistical mechanics models", "subitem_subject_scheme": "Other"}, {"subitem_subject": "Structural membrane mechanics", "subitem_subject_scheme": "Other"}]}, "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": "A molecular dynamics study of the lateral free energy profile of a pair of cholesterol molecules as a function of their distance in phospholipid bilayers", "item_titles": {"attribute_name": "タイトル", "attribute_value_mlt": [{"subitem_title": "A molecular dynamics study of the lateral free energy profile of a pair of cholesterol molecules as a function of their distance in phospholipid bilayers", "subitem_title_language": "en"}]}, "item_type_id": "10", "owner": "1", "path": ["322"], "permalink_uri": "http://hdl.handle.net/2237/20839", "pubdate": {"attribute_name": "PubDate", "attribute_value": "2014-11-19"}, "publish_date": "2014-11-19", "publish_status": "0", "recid": "18743", "relation": {}, "relation_version_is_last": true, "title": ["A molecular dynamics study of the lateral free energy profile of a pair of cholesterol molecules as a function of their distance in phospholipid bilayers"], "weko_shared_id": -1}