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

抄録

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.