DC Field | Value | Language |
---|---|---|
dc.contributor.author | Dong Hun Noh | - |
dc.contributor.author | Shin Jung C. Lee | - |
dc.contributor.author | Jong Wha Lee | - |
dc.contributor.author | Kim, HI | - |
dc.date.accessioned | 2016-03-31T08:20:17Z | - |
dc.date.available | 2016-03-31T08:20:17Z | - |
dc.date.created | 2014-02-06 | - |
dc.date.issued | 2014-03 | - |
dc.identifier.issn | 1044-0305 | - |
dc.identifier.other | 2014-OAK-0000028711 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/15081 | - |
dc.description.abstract | The hydration of cucurbit[6]uril (CB[6]) in the gas phase is investigated using electrospray ionization traveling wave ion mobility mass spectrometry (ESI-TWIM-MS). Highly abundant dihydrated and tetrahydrated species of diprotonated CB[6] are found in the ESI-TWIM-MS spectrum. The hydration patterns of the CB[6] ion and the dissociation patterns of the hydrated CB[6] ion indicate that two water molecules are bound to each other, forming a water dimer in the CB[6] complex. Ion mobility studies combined with the structures calculated by density functional theory suggest that the proton-bound water dimer is present as a Zundel-like structure in the CB[6] portal, forming a hydrogen bond network with carbonyl groups of the CB[6]. When a large guest molecule is bound to a CB[6] portal, water molecules cannot bind to the portal. In addition, the strong binding energy of the water dimer blocks the portal, hindering the insertion of the long alkyl chain of the guest molecule into the CB[6] cavity. With small alkali metal cations, such as Li+ and Na+, a single water molecule interacts with the CB[6] portal, forming hydrogen bonds with the carbonyl groups of CB[6]. A highly stable Zundel-like structure of the proton-bound water dimer or a metal-bound water molecule at the CB[6] portal is suggested as an initial hydration process for CB[6], which is only dissolved in aqueous solution with acid or alkali metal ions. | - |
dc.description.statementofresponsibility | X | - |
dc.language | English | - |
dc.publisher | American Soceity for Mass Spectrometry | - |
dc.relation.isPartOf | JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY | - |
dc.subject | Cucurbit[6]uril | - |
dc.subject | Hydration | - |
dc.subject | Zundel structure | - |
dc.subject | Host-guest chemistry | - |
dc.subject | Ion mobility mass spectrometry | - |
dc.subject | SEQUENTIAL BINDING-ENERGIES | - |
dc.subject | IONIC HYDROGEN-BOND | - |
dc.subject | COLLISION-INDUCED DISSOCIATION | - |
dc.subject | IONIZATION MASS-SPECTROMETRY | - |
dc.subject | DICARBOXYLIC-ACID CLUSTERS | - |
dc.subject | HIGH-AFFINITY BINDING | - |
dc.subject | AMINO-ACIDS | - |
dc.subject | COPPER IONS | - |
dc.subject | SUPRAMOLECULAR ASSEMBLIES | - |
dc.subject | CONFORMATIONAL-CHANGES | - |
dc.title | Host–Guest Chemistry in the Gas Phase: Complex Formation of Cucurbit[6]uril with Proton-bound Water Dimer | - |
dc.type | Article | - |
dc.contributor.college | 첨단재료과학부 | - |
dc.identifier.doi | 10.1007/S13361-013-0795-6 | - |
dc.author.google | Noh, DH | - |
dc.author.google | Lee, SJC | - |
dc.author.google | Lee, JW | - |
dc.author.google | Kim, HI | - |
dc.relation.volume | 25 | - |
dc.relation.issue | 3 | - |
dc.relation.startpage | 410 | - |
dc.relation.lastpage | 421 | - |
dc.contributor.id | 10652893 | - |
dc.relation.journal | JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY | - |
dc.relation.index | SCI급, SCOPUS 등재논문 | - |
dc.relation.sci | SCI | - |
dc.collections.name | Journal Papers | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, v.25, no.3, pp.410 - 421 | - |
dc.identifier.wosid | 000330831900012 | - |
dc.date.tcdate | 2019-01-01 | - |
dc.citation.endPage | 421 | - |
dc.citation.number | 3 | - |
dc.citation.startPage | 410 | - |
dc.citation.title | JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY | - |
dc.citation.volume | 25 | - |
dc.contributor.affiliatedAuthor | Kim, HI | - |
dc.identifier.scopusid | 2-s2.0-84894437217 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 9 | - |
dc.description.scptc | 7 | * |
dc.date.scptcdate | 2018-05-121 | * |
dc.type.docType | Article | - |
dc.subject.keywordPlus | SEQUENTIAL BINDING-ENERGIES | - |
dc.subject.keywordPlus | COLLISION-INDUCED DISSOCIATION | - |
dc.subject.keywordPlus | DICARBOXYLIC-ACID CLUSTERS | - |
dc.subject.keywordPlus | IONIC HYDROGEN-BOND | - |
dc.subject.keywordPlus | AMINO-ACIDS | - |
dc.subject.keywordPlus | COPPER IONS | - |
dc.subject.keywordPlus | CONFORMATIONAL-CHANGES | - |
dc.subject.keywordPlus | INFRARED-SPECTROSCOPY | - |
dc.subject.keywordPlus | MOLECULAR RECOGNITION | - |
dc.subject.keywordPlus | CATIONIZED GLUTAMINE | - |
dc.subject.keywordAuthor | Cucurbit[6]uril | - |
dc.subject.keywordAuthor | Hydration | - |
dc.subject.keywordAuthor | Zundel structure | - |
dc.subject.keywordAuthor | Host-guest chemistry | - |
dc.subject.keywordAuthor | Ion mobility mass spectrometry | - |
dc.relation.journalWebOfScienceCategory | Biochemical Research Methods | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Analytical | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Spectroscopy | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Biochemistry & Molecular Biology | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Spectroscopy | - |
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