Structural Change of Poly(glycolic acid) by Stretching studied with MD Simulation, 13C CP/MAS NMR and X-ray Diffraction Methods

DOI Web Site 16 References
  • SEKNE Sokei
    Department of Biotechnology, Tokyo University of Agriculture and Technology Mitsui Chemical Analysis & Consulting Service, Inc.
  • AOKI Akihiro
    Department of Biotechnology, Tokyo University of Agriculture and Technology
  • ASAKURA Tetsuo
    Department of Biotechnology, Tokyo University of Agriculture and Technology

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Other Title
  • ポリグリコール酸の延伸に伴う構造変化に関する分子動力学計算，｀１３´Ｃ　ＣＰ／ＭＡＳ　ＮＭＲ　および　Ｘ　線回折による研究
  • ポリグリコール酸の延伸に伴う構造変化に関する分子動力学計算,13C CP/MAS NMRおよびX線回折による研究
  • ポリグリコールサン ノ エンシン ニ トモナウ コウゾウ ヘンカ ニ カンスル ブンシ ドウリキガク ケイサン 13C CP MAS NMR オヨビ Xセン カイセツ ニ ヨル ケンキュウ

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Description

Poly(glycolic acid) (PGA) is one of the semi-crystalline biodegradable polyesters which have been known as suture fibers. It is very important to know the change in the PGA structure by stretching to control their physical properties. The MD simulation of the stretching of the fiber predicts that the conformational change occurs around two bonds, -C(=O)-CH2- and -CH2-O-, and the conformation of the -O-C(=O)- bond is fixed to be trans. Increase in the fraction of trans conformations around the former two bonds by stretching, which is observed in the X-ray diffraction and 13C CP/MAS NMR, was also predicted in the simulation.<br>

Journal

  • KOBUNSHI RONBUNSHU

    KOBUNSHI RONBUNSHU 67 (1), 57-60, 2010

    The Society of Polymer Science, Japan

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