{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1360004233138947584.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1021/acs.macromol.6b01644"}},{"identifier":{"@type":"URI","@value":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.6b01644"}}],"resourceType":"学術雑誌論文(journal article)","dc:title":[{"@value":"Statistical Thermodynamic Theory of Heat-Induced Gelation of Aqueous Methylated Polyrotaxane Solutions"}],"description":[{"notation":[{"@value":"Chemically modified polyrotaxanes by methylation are water-soluble and show high-temperature gelation in water. To elucidate the molecular mechanism, we developed a theoretical model incorporating the following contributions: hydration–dehydration of cyclic molecules, formation of one-dimensional aggregates composed of a various number of cyclic molecules along the polymer chain, and formation of junction structures by associating between the aggregates. We numerically calculated the sol–gel transition line, the average aggregate length, the average junction multiplicity, the heat capacity change of the solution, the hydration ratio of cyclic molecules, and the translational entropy of cyclic molecules along the chain. We compared our results with the previously reported experimental data, and we discussed the molecular mechanism of the high-temperature gelation and the formation of the junction structures based on the sliding feature of cyclic molecules."}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1380004233138947585","@type":"Researcher","foaf:name":[{"@value":"Hiroyuki Kojima"}],"jpcoar:affiliationName":[{"@value":"Department\rof Polymer Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Kyoto 615-8510, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1420001326224779776","@type":"Researcher","personIdentifier":[{"@type":"KAKEN_RESEARCHERS","@value":"80303866"},{"@type":"NRID","@value":"1000080303866"},{"@type":"NRID","@value":"9000003384184"},{"@type":"NRID","@value":"9000401863034"},{"@type":"NRID","@value":"9000364884837"},{"@type":"NRID","@value":"9000014356088"},{"@type":"NRID","@value":"9000388490921"},{"@type":"NRID","@value":"9000254566793"},{"@type":"NRID","@value":"9000402586027"},{"@type":"NRID","@value":"9000289265710"},{"@type":"NRID","@value":"9000397708355"},{"@type":"NRID","@value":"9000318614559"},{"@type":"NRID","@value":"9000402211321"},{"@type":"NRID","@value":"9000002967339"},{"@type":"NRID","@value":"9000004970305"},{"@type":"NRID","@value":"9000283558080"},{"@type":"NRID","@value":"9000024288798"},{"@type":"NRID","@value":"9000255700458"},{"@type":"NRID","@value":"9000002756732"},{"@type":"NRID","@value":"9000243768735"},{"@type":"NRID","@value":"9000401954149"},{"@type":"NRID","@value":"9000272248560"},{"@type":"NRID","@value":"9000023301153"},{"@type":"NRID","@value":"9000399943174"},{"@type":"NRID","@value":"9000356681708"},{"@type":"RESEARCHMAP","@value":"https://researchmap.jp/tsuyoshi_koga"}],"foaf:name":[{"@value":"Tsuyoshi Koga"}],"jpcoar:affiliationName":[{"@value":"Department\rof Polymer Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Kyoto 615-8510, Japan"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"00249297"},{"@type":"EISSN","@value":"15205835"}],"prism:publicationName":[{"@value":"Macromolecules"}],"dc:publisher":[{"@value":"American Chemical Society (ACS)"}],"prism:publicationDate":"2016-09-07","prism:volume":"49","prism:number":"18","prism:startingPage":"7015","prism:endingPage":"7024"},"reviewed":"false","url":[{"@id":"https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.6b01644"}],"createdAt":"2016-09-07","modifiedAt":"2023-04-14","project":[{"@id":"https://cir.nii.ac.jp/crid/1040000781911736576","@type":"Project","projectIdentifier":[{"@type":"KAKEN","@value":"16K05914"},{"@type":"JGN","@value":"JP16K05914"},{"@type":"URI","@value":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-16K05914/"}],"notation":[{"@language":"ja","@value":"高強度・高延伸性を有する高性能ゲルの分子機構の解明"},{"@language":"en","@value":"Elucidation of molecular mechanism of high performance gel with high strength and high ductility"}]}],"relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1050282677150589312","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Theory of solvation-induced reentrant phase separation in polymer solutions"}]},{"@id":"https://cir.nii.ac.jp/crid/1360002216878178816","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Structure and dynamics of polyrotaxane-based sliding graft copolymers with alkyl side chains"}]},{"@id":"https://cir.nii.ac.jp/crid/1360004233563422080","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Preparation and study of alkyl carbamylated polyrotaxanes with large hysteresis during sol–gel phase transition"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011145326665216","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Thermoreversible sol–gel transition of an aqueous solution of polyrotaxane composed of highly methylated α-cyclodextrin and polyethylene glycol"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292618666832384","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Inclusion of <i>trans</i>-resveratrol in methylated cyclodextrins: synthesis and solid-state structures"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292619440853888","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Sol−Gel Transition of Hydrophobically Modified Polyrotaxane"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574094182497920","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Thermodynamic Properties of Poly(ethylene glycol)/Water Systems. 2. 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