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• W2891602023 endingPage "2379" @default.
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• W2891602023 abstract "To understand the anomalous collision-induced dissociation (CID) behavior of the proton-bound Hoogsteen base pair of cytosine (C) and guanine (G), C:H+∙∙∙G, we investigated CID of a homologue series of proton-bound heterodimers of C, 1-methylcytosine, and 5-methylcytosine with G as a common base partner. The CID experiments were performed in an energy-resolved way (ER-CID) under both multiple and near-single collision conditions. The relative stabilities of the protonated complexes examined by ER-CID suggested that the proton-bound complexes produced by electrospray ionization in this study are proton-bound Hoogsteen base pairs. On the other hand, in contrast to the other base pairs, CID of C:H+∙∙∙G exhibited more abundant productions of C:H+, the fragment protonated on the moiety with a smaller proton affinity, than that of G:H+. This appeared to contradict general prediction based on the kinetic method. However, further theoretical exploration of potential energy surfaces found that there can be facile proton transfers in the proton-bound Hoogsteen base pairs during the CID process, which makes the process accessible to an additional product state of O-protonated C for C:H+ fragments. The presence of an additional dissociation channel, which in other words corresponds to twofold degeneracy in the transition state leading to C:H+ fragments, effectively doubles the apparent reaction rate for production of C:H+. In this way, the process gives rise to the anomaly, the observed pronounced formation of C:H+ in the CID of the proton-bound Hoogsteen base pair, C:H+∙∙∙G." @default.
• W2891602023 created "2018-09-27" @default.
• W2891602023 creator A5038949782 @default.
• W2891602023 creator A5054977727 @default.
• W2891602023 creator A5075086123 @default.
• W2891602023 date "2018-09-13" @default.
• W2891602023 modified "2023-10-01" @default.
• W2891602023 title "Proton Transfer Accounting for Anomalous Collision-Induced Dissociation of Proton-Bound Hoogsteen Base Pair of Cytosine and Guanine" @default.
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• W2891602023 doi "https://doi.org/10.1007/s13361-018-2060-5" @default.
• W2891602023 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30215166" @default.
• W2891602023 hasPublicationYear "2018" @default.
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