Individual solubilization behavior of single-walled carbon nanotubes by riboflavin (Vitamin B2) in water and its analyses using regression approach and computational simulations

Fumiyuki Toshimitsu, Wataru Ishimaru, Naotoshi Nakashima

研究成果: Contribution to journalArticle査読

1 被引用数 (Scopus)

抄録

Flavin analogues are dispersants of carbon nanotubes. We report the finding that riboflavin, which is a nutrient that is much less expensive than a flavin mononucleotide, is a good SWNT dispersant in water. We carried out a temperature dependence test of the solubilization of SWNTs, and propose a possible solubilization mechanism based on a regression analysis. We assume that the linear and lognormal components for the solubilized SWNTs can be explained by nonspecific and specific interactions between the riboflavin and the SWNTs, respectively. We also carried out computational calculations (molecular dynamics simulations) on this SWNT solubilization by which we proposed a suitable complex structure of the SWNT that provided the number of adsorbed flavin molecules via hydrogen bonding on the tubes.

本文言語英語
ページ(範囲)1679-1683
ページ数5
ジャーナルBulletin of the Chemical Society of Japan
92
10
DOI
出版ステータス出版済み - 2019

All Science Journal Classification (ASJC) codes

  • 化学 (全般)

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