{"@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/1390866415333536768.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.15017/7340488"}},{"identifier":{"@type":"HDL","@value":"https://hdl.handle.net/2324/7340488"}}],"resourceType":"紀要論文(departmental bulletin paper)","dc:title":[{"@language":"en","@value":"Stability of Hydrogen Bond Networks between Cellulose Molecules"},{"@language":"ja","@value":"セルロース分子間に形成される水素結合ネットワークの安定性"}],"dc:language":"ja","description":[{"type":"Other","notation":[{"@language":"ja","@value":"セルロースのヒドロキシ基間に水素結合が形成されることで，系のエネルギーはプロトン移動の振幅だけ小さく，安定になる．また，そのエネルギーをAとすると，水素結合が対称なO2 − O6 分子内水素結合の場合は，プロトンは振動数2A/ħで振動する．O3 − O5分子内水素結合のように結合が非対称の場合は，エネルギーはAよりも小さくなる．O6 − O3 分子間水素結合を考える場合は，先の2 つの分子内水素結合も同時に考慮する必要がある．そのように水素結合が3 つ連なった場合，結合状態のエネルギーは単独の場合のそれよりも小さい状態および大きい状態が存在するが，全系のエネルギーは単独の場合のそれよりも小さくなる．水素結合が二体相互作用，三体相互作用…であるとすると，系の強度は結合に与るヒドロキシ基数の2乗，3 乗…のようなべき級数展開であらわされるはずであるが，経験的にはおおむねヒドロキシ基数に相関があることからも水素結合を交換力として考えることが妥当である．"}]},{"type":"Other","notation":[{"@language":"en","@value":"Hydrogen bonds of cellulose molecules were discussed using quantum mechanics. In other words, the picture is that hydrogen bonding is an exchange force between two oxygen atoms due to proton vibrations. The formation of hydrogen bonds between the hydroxyl groups of cellulose makes the energy of the system small and stable depending the amplitude of proton transfer. When the amplitude is A, the proton oscillates at a frequency of 2A/ħ in the case of O2-O6 intramolecular hydrogen bond where the hydrogen bond is symmetrical; if the bond is asymmetrical, as in the case of O3-O5 intramolecular hydrogen bond, the amplitude is smaller than A. In the case of O6-O3 intermolecular hydrogen bond, the two previous intramolecular hydrogen bonds must be considered simultaneously. In the case of a series of three such hydrogen bonds, the energy of the bonding state may be smaller or larger than that of the single hydrogen bond, but the total system energy is smaller than that of the single hydrogen bond. If hydrogen bonding is a two-body interaction, three-body interaction, etc., the strength of the system should be expressed by a power series expansion. However, empirically, it is reasonable to consider hydrogen bonding as an exchange force since it is generally correlated with the number of hydroxyl groups. It is possible to determine the amplitude from the infrared absorption measurement of cellulose."}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1420845751163798272","@type":"Researcher","personIdentifier":[{"@type":"KAKEN_RESEARCHERS","@value":"60293908"},{"@type":"NRID","@value":"1000060293908"},{"@type":"NRID","@value":"9000021195892"},{"@type":"NRID","@value":"9000346961754"},{"@type":"NRID","@value":"9000018822450"},{"@type":"NRID","@value":"9000410901141"},{"@type":"NRID","@value":"9000257764309"},{"@type":"NRID","@value":"9000257774520"},{"@type":"NRID","@value":"9000409341173"},{"@type":"NRID","@value":"9000327084652"},{"@type":"NRID","@value":"9000391663636"},{"@type":"NRID","@value":"9000283558051"},{"@type":"NRID","@value":"9000356662228"},{"@type":"NRID","@value":"9000410514314"},{"@type":"NRID","@value":"9000409341203"},{"@type":"NRID","@value":"9000257774456"},{"@type":"NRID","@value":"9000009980388"},{"@type":"NRID","@value":"9000410514373"},{"@type":"NRID","@value":"9000262365772"},{"@type":"NRID","@value":"9000007042440"},{"@type":"NRID","@value":"9000322734088"},{"@type":"NRID","@value":"9000010597951"},{"@type":"NRID","@value":"9000000444878"},{"@type":"NRID","@value":"9000016656447"},{"@type":"RESEARCHMAP","@value":"https://researchmap.jp/read0057421"}],"foaf:name":[{"@language":"en","@value":"TATSUMI Daisuke"},{"@language":"ja","@value":"巽 大輔"}],"jpcoar:affiliationName":[{"@language":"en","@value":"Laboratory of Biomacromolecular Materials, Division of Sustainable Bioresources Science, Department of Agro-environmental Sciences, Faculty of Agriculture, Kyushu University"},{"@language":"ja","@value":"九州大学大学院農学研究院環境農学部門サスティナブル資源科学講座高分子材料学分野"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"13470159"},{"@type":"NCID","@value":"AA11577672"}],"prism:publicationName":[{"@language":"ja","@value":"九州大学大学院農学研究院学芸雑誌"}],"dc:publisher":[{"@language":"en","@value":"Faculty of Agriculture, Kyushu University"},{"@language":"ja","@value":"九州大学大学院農学研究院"}],"prism:publicationDate":"2025-02","prism:volume":"80","prism:number":"1","prism:startingPage":"1","prism:endingPage":"5"},"reviewed":"false","dcterms:accessRights":"http://purl.org/coar/access_right/c_abf2","availableAt":"2025-02","foaf:topic":[{"@id":"https://cir.nii.ac.jp/all?q=%E5%AE%89%E5%AE%9A%E6%80%A7","dc:title":"安定性"},{"@id":"https://cir.nii.ac.jp/all?q=%E4%BA%A4%E6%8F%9B%E5%8A%9B","dc:title":"交換力"},{"@id":"https://cir.nii.ac.jp/all?q=%E6%B0%B4%E7%B4%A0%E7%B5%90%E5%90%88","dc:title":"水素結合"},{"@id":"https://cir.nii.ac.jp/all?q=%E3%82%BB%E3%83%AB%E3%83%AD%E3%83%BC%E3%82%B9","dc:title":"セルロース"},{"@id":"https://cir.nii.ac.jp/all?q=%E3%83%8D%E3%83%83%E3%83%88%E3%83%AF%E3%83%BC%E3%82%AF","dc:title":"ネットワーク"},{"@id":"https://cir.nii.ac.jp/all?q=Cellulose","dc:title":"Cellulose"},{"@id":"https://cir.nii.ac.jp/all?q=Exchange%20force","dc:title":"Exchange force"},{"@id":"https://cir.nii.ac.jp/all?q=Hydrogen%20bonding","dc:title":"Hydrogen bonding"},{"@id":"https://cir.nii.ac.jp/all?q=Networks","dc:title":"Networks"},{"@id":"https://cir.nii.ac.jp/all?q=Stability","dc:title":"Stability"}],"dcterms:subject":[{"subjectScheme":"Other","notation":[{"@language":"ja","@value":"安定性"}]},{"subjectScheme":"Other","notation":[{"@language":"ja","@value":"交換力"}]},{"subjectScheme":"Other","notation":[{"@language":"ja","@value":"水素結合"}]},{"subjectScheme":"Other","notation":[{"@language":"ja","@value":"セルロース"}]},{"subjectScheme":"Other","notation":[{"@language":"ja","@value":"ネットワーク"}]},{"subjectScheme":"Other","notation":[{"@language":"en","@value":"Cellulose"}]},{"subjectScheme":"Other","notation":[{"@language":"en","@value":"Exchange force"}]},{"subjectScheme":"Other","notation":[{"@language":"en","@value":"Hydrogen bonding"}]},{"subjectScheme":"Other","notation":[{"@language":"en","@value":"Networks"}]},{"subjectScheme":"Other","notation":[{"@language":"en","@value":"Stability"}]}],"project":[{"@id":"https://cir.nii.ac.jp/crid/1040291932575047040","@type":"Project","projectIdentifier":[{"@type":"KAKEN","@value":"22K05767"},{"@type":"JGN","@value":"JP22K05767"},{"@type":"URI","@value":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22K05767/"}],"notation":[{"@language":"ja","@value":"自然界のパターンに学ぶ3次元ネットワーク材料の耐衝撃性"},{"@language":"en","@value":"Impact resistance of 3D network materials learned from patterns in nature"}]}],"dataSourceIdentifier":[{"@type":"JALC","@value":"oai:japanlinkcenter.org:2013916802"},{"@type":"IRDB","@value":"oai:irdb.nii.ac.jp:01211:0006615684"},{"@type":"KAKEN","@value":"PRODUCT-25519036"}]}