Hydrogen bonding influences collision-induced dissociation of Na+-bound guanine tetrads
DC Field | Value | Language |
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dc.contributor.author | Lee, Chaewon | - |
dc.contributor.author | Choi, Yoon Kyung | - |
dc.contributor.author | Lee, Sanghun | - |
dc.contributor.author | Han, Sang Yun | - |
dc.date.available | 2021-03-09T02:40:10Z | - |
dc.date.created | 2020-07-24 | - |
dc.date.issued | 2021-04 | - |
dc.identifier.issn | 1076-5174 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/gachon/handle/2020.sw.gachon/80337 | - |
dc.description.abstract | Na+-bound guanine (G)–tetrads possess square planar structures formed solely by noncovalent interactions including multiple hydrogen bonds. Unlike G-tetrads facilitated by other alkali metal ions, an intriguing behavior in collision-induced dissociation (CID) has been observed in Na+-bound G-tetrads, which features a preferential, simultaneous loss of two G ligands in the low energy regime. To understand this unique behavior, we investigated the CID of Na+-bound G-tetrads with mixed ligands of G and 9-methylguanine (9mG), [Na·Gm·9mGn]+ (m + n = 4), and [Li·9mG4]+ for comparison. In the CID experiments, the simultaneous losses of two ligands were by far more pronounced than the loss of a single ligand for all five Na+-bound G-tetrads. However, it appeared that the CID of [Li·9mG4]+ prefers to lose single ligands sequentially. An analysis of the fragment abundances suggested that the generation of Na+-bound dimeric fragments might have occurred with two adjacent ligands. This theoretical study predicted for [Li·9mG4]+ that the loss of a single ligand is more energetically favorable than the production of neutral hydrogen-bonded fragments by 35.5 kJ/mol (ΔG). This contradicts our previous calculations for [Na·9mG4]+ that a neutral loss of hydrogen-bonded dimers provides the lowest energy product state of Na+-bound dimeric fragments, which is lower than that of Na+-bound trimeric fragments by 15.6 kJ/mol. From the results, this comparative study suggests that the pronounced generation of Na+-bound dimeric fragments in CID of the G-tetrads is likely promoted by the dissociation pathway associated with neutral loss of hydrogen-bonded dimers. It thus demonstrates that multiple hydrogen bonding participating in formation of Na+-bound G-tetrads may also strongly influence the fate of dissociating complexes of G-tetrads. © 2020 John Wiley & Sons, Ltd. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.language.iso | en | - |
dc.publisher | WILEY | - |
dc.relation.isPartOf | Journal of Mass Spectrometry | - |
dc.title | Hydrogen bonding influences collision-induced dissociation of Na+-bound guanine tetrads | - |
dc.type | Article | - |
dc.type.rims | ART | - |
dc.description.journalClass | 1 | - |
dc.identifier.wosid | 000548907300001 | - |
dc.identifier.doi | 10.1002/jms.4582 | - |
dc.identifier.bibliographicCitation | Journal of Mass Spectrometry, v.56, no.4 | - |
dc.description.isOpenAccess | N | - |
dc.identifier.scopusid | 2-s2.0-85088013802 | - |
dc.citation.title | Journal of Mass Spectrometry | - |
dc.citation.volume | 56 | - |
dc.citation.number | 4 | - |
dc.contributor.affiliatedAuthor | Lee, Chaewon | - |
dc.contributor.affiliatedAuthor | Choi, Yoon Kyung | - |
dc.contributor.affiliatedAuthor | Lee, Sanghun | - |
dc.contributor.affiliatedAuthor | Han, Sang Yun | - |
dc.type.docType | Article | - |
dc.subject.keywordAuthor | DFT calculations | - |
dc.subject.keywordAuthor | ER-CID | - |
dc.subject.keywordAuthor | G-tetrads | - |
dc.subject.keywordAuthor | hydrogen bonding | - |
dc.subject.keywordAuthor | neutral loss | - |
dc.subject.keywordPlus | Dimers | - |
dc.subject.keywordPlus | Dissociation | - |
dc.subject.keywordPlus | Ligands | - |
dc.subject.keywordPlus | Metal ions | - |
dc.subject.keywordPlus | Metals | - |
dc.subject.keywordPlus | Positive ions | - |
dc.subject.keywordPlus | Collision induced dissociation | - |
dc.subject.keywordPlus | Comparative studies | - |
dc.subject.keywordPlus | Dissociation pathways | - |
dc.subject.keywordPlus | Hydrogen-bonded dimers | - |
dc.subject.keywordPlus | Multiple hydrogen bonding | - |
dc.subject.keywordPlus | Non-covalent interaction | - |
dc.subject.keywordPlus | Square planar structures | - |
dc.subject.keywordPlus | Theoretical study | - |
dc.subject.keywordPlus | Hydrogen bonds | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
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