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

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)1679-1683
Number of pages5
JournalBulletin of the Chemical Society of Japan
Volume92
Issue number10
DOIs
Publication statusPublished - 2019

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

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