A theoretical design of surface modiers for suppression of membrane fouling: Potential of poly(2-methoxyethylacrylate)

Ryo Nagumo, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto

研究成果: Article査読

11 被引用数 (Scopus)

抄録

Membrane fouling phenomena, which can be certainly promoted by the adsorption of biomolecules such as proteins and polysaccharides, have been one of the major challenges in membrane separation. Surface modification has recently become a promising approach to suppressing such fouling. In this study, to conduct a computational design of an optimal surface modifoer, a simple strategy has been applied, where the local afinities between an amino acid residue and a repeating unit of a candidate material are evaluated, by calculating free energy profoles for a residue approaching a repeating unit in explicit water molecules from a molecular dynamics simulation. We show that the predicted profiles for a 2-methoxyethylacrylate monomer have almost no energetically stable points. On the other hand, the profile for a conventional isophthalamide shows an energetically remarkable minimum. These results show the possibility for drastically simplifying the screening procedures of an optimal surface modifier.

本文言語English
ページ(範囲)568-570
ページ数3
ジャーナルJOURNAL of CHEMICAL ENGINEERING of JAPAN
45
8
DOI
出版ステータスPublished - 2012

ASJC Scopus subject areas

  • 化学 (全般)
  • 化学工学(全般)

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