Branching Reaction in Melanogenesis: The Effect of Intramolecular Cyclization on Thiol Binding

Ryo Kishida, Hideaki Kasai, Susan Meñez Aspera, Ryan Lacdao Arevalo, Hiroshi Nakanishi

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

With the aid of density functional theory-based first principles calculations, we investigated energetics and electronic structure changes in reactions involving dopaquinone to give insights into the branching behaviors in melanogenesis. The reactions we investigated are the intramolecular cyclization and thiol binding, which are competing with each other. It was found that, in order to accomplish thiol binding, charge transfer of around one electron from thiol to dopaquinone occurs. Furthermore, intramolecular cyclization of dopaquinone increases the lowest unnoccupied molecular orbital level substantially. This result clearly shows prevention of the binding of thiol by intramolecular cyclization.

Original languageEnglish
Pages (from-to)3784-3788
Number of pages5
JournalJournal of Electronic Materials
Volume46
Issue number6
DOIs
Publication statusPublished - Jun 1 2017
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering
  • Materials Chemistry

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