{"created":"2025-02-21T04:10:33.053581+00:00","id":2008027,"links":{},"metadata":{"_buckets":{"deposit":"cb6fd74c-81d5-48d6-ba45-ea71323af35f"},"_deposit":{"created_by":41,"id":"2008027","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2008027"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02008027","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"Hydration profiles of aromatic amino acids : conformations and vibrations of L-phenylalanine–(H2O)n clusters","subitem_title_language":"en"}]},"item_1617186419668":{"attribute_name":"Creator","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Ebata, Takayuki","creatorNameLang":"en"}],"familyNames":[{"familyName":"Ebata","familyNameLang":"en"}],"givenNames":[{"givenName":"Takayuki","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Hashimoto, Takayo","creatorNameLang":"en"}],"familyNames":[{"familyName":"Hashimoto","familyNameLang":"en"}],"givenNames":[{"givenName":"Takayo","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Ito, Takafumi","creatorNameLang":"en"}],"familyNames":[{"familyName":"Ito","familyNameLang":"en"}],"givenNames":[{"givenName":"Takafumi","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Inokuchi, Yoshiya","creatorNameLang":"en"}],"familyNames":[{"familyName":"Inokuchi","familyNameLang":"en"}],"givenNames":[{"givenName":"Yoshiya","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Altunsu, Fuat","creatorNameLang":"en"}],"familyNames":[{"familyName":"Altunsu","familyNameLang":"en"}],"givenNames":[{"givenName":"Fuat","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Brutschy, Bernhard","creatorNameLang":"en"}],"familyNames":[{"familyName":"Brutschy","familyNameLang":"en"}],"givenNames":[{"givenName":"Bernhard","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Tarakeshwar, P.","creatorNameLang":"en"}],"familyNames":[{"familyName":"Tarakeshwar","familyNameLang":"en"}],"givenNames":[{"givenName":"P.","givenNameLang":"en"}]}]},"item_1617186476635":{"attribute_name":"Access Rights","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_1617186499011":{"attribute_name":"Rights","attribute_value_mlt":[{"subitem_rights":"Copyright (c) the Owner Societies 2006"}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"L-Phenylalanine","subitem_subject_scheme":"Other"},{"subitem_subject":"Supersonic jet","subitem_subject_scheme":"Other"},{"subitem_subject":"hydrated clusters","subitem_subject_scheme":"Other"},{"subitem_subject":"IR-UV double resonance spectroscopy","subitem_subject_scheme":"Other"},{"subitem_subject":"430","subitem_subject_scheme":"NDC"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"IR-UV double resonance spectroscopy and ab initio calculations were employed to investigate the structures and vibrations of the aromatic amino acid, L-phenylalanine–(H2O)n clusters formed in a supersonic free jet. Our results indicate that up to three water molecules are preferentially bound to both the carbonyl oxygen and the carboxyl hydrogen of L-phenylalanine (L-Phe) in a bridged hydrogen-bonded conformation. As the number of water molecules is increased, the bridge becomes longer. Two isomers are found for L-Phe–(H2O)1, and both of them form a cyclic hydrogen-bond between the carboxyl group and the water molecule. In L-Phe–(H2O)2, only one isomer was identified, in which two water molecules form extended cyclic hydrogen bonds with the carboxyl group. In the calculated structure of L-Phe–(H2O)3 the bridge of water molecules becomes larger and exhibits an extended hydrogen-bond to the π-system. Finally, in isolated L-Phe, the D conformer was found to be the most stable conformer by the experiment and by the ab initio calculation.","subitem_description_language":"en"},{"subitem_description":"The authors would like to acknowledge the support from the Grant-in-Aids for Scientific Research (18205003) by the Ministry of Education, Science, Sports, and Culture, Japan and from the French-German CNRS-DFG binational project. T. E. gratefully acknowledges financial support from Satake foundation.","subitem_description_type":"Other"}]},"item_1617186643794":{"attribute_name":"Publisher","attribute_value_mlt":[{"subitem_publisher":"Royal Society of Chemistry"}]},"item_1617186702042":{"attribute_name":"Language","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_1617186920753":{"attribute_name":"Source Identifier","attribute_value_mlt":[{"subitem_source_identifier":"1463-9076","subitem_source_identifier_type":"ISSN"}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"4783"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2006-09-14","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"41","bibliographicPageEnd":"4791","bibliographicPageStart":"4783","bibliographicVolumeNumber":"8","bibliographic_titles":[{"bibliographic_title":"Physical Chemistry Chemical Physics"},{"bibliographic_title":"Physical Chemistry Chemical Physics"}]}]},"item_1617258105262":{"attribute_name":"Resource Type","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_1617265215918":{"attribute_name":"Version Type","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_b1a7d7d4d402bcce","subitem_version_type":"AO"}]},"item_1617353299429":{"attribute_name":"Relation","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1039/B609229B","subitem_relation_type_select":"DOI"}},{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1039/B609229B","subitem_relation_type_select":"DOI"}}]},"item_1617605131499":{"attribute_name":"File","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_access","date":[{"dateType":"Available","dateValue":"2023-03-18"}],"displaytype":"simple","filename":"PhysChemChemPhys_2006_8_4783.pdf","filesize":[{"value":"1.6 MB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2008027/files/PhysChemChemPhys_2006_8_4783.pdf"},"version_id":"0b71e382-80d0-48f4-8a47-5b5e3436a54a"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"37383"},"item_title":"Hydration profiles of aromatic amino acids : conformations and vibrations of L-phenylalanine–(H2O)n clusters","item_type_id":"40003","owner":"41","path":["1730444907710"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2023-03-18"},"publish_date":"2023-03-18","publish_status":"0","recid":"2008027","relation_version_is_last":true,"title":["Hydration profiles of aromatic amino acids : conformations and vibrations of L-phenylalanine–(H2O)n clusters"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-22T03:04:03.090501+00:00"}