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Updated: Dec 11, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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トランジション状態の振動分析とCOMT触媒メチル転送の同位体効果

Maite Roca1, Ian H Williams2

  • 1Departament de Química Física i Analítica, Universitat Jaume I, 12071 Castellón, Spain.

Journal of the American Chemical Society
|August 20, 2020
PubMed
まとめ

この研究では,メチル移転反応の同位素分割関数 (IPFR) を分析し,より小さな計算モデルが水素IPFRを正確に予測するが,炭素14のIPFRを予測しないことを発見した. Ponderal効果はIPFRに影響し,移行ベクトルへのタンパク質の貢献は最小限である.

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Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.
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The mechanism of methylation unfolds in two stages. The first stage sees a methyltransferase enzyme facilitating the transfer of a methyl group from S-adenosylmethionine (SAM) to the substrate, forming S-adenosylhomocysteine (SAH). The second stage involves further metabolism of SAH into homocysteine, which can be recycled...
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