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

被引：0

作者：

Sekne, Sokei ^{[1
,2
]}

Aoki, Akihiro ^{[1
]}

Asakura, Tetsuo ^{[1
]}

机构：

[1] Tokyo Univ Agr & Technol, Dept Biotechnol, Koganei, Tokyo 1848588, Japan

[2] Mitsui Chem Anal & Consulting Serv Inc, Sodegaura, Chiba 2990265, Japan

来源：

KOBUNSHI RONBUNSHU | 2010年 / 67卷 / 01期

关键词：

Poly(glycolic acid) Fiber; Conformational Change; Molecular Dynamics Simulation; C-13 CP/MAS NMR; X-Ray Diffraction Method; POLYGLYCOLIDE; DYNAMICS; FIBERS;

D O I：

10.1295/koron.67.57

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

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 C-13 CP/MAS NMR, was also predicted in the simulation.

引用

页码：57 / 60

页数：4

共 8 条

[1]

CHATANI Y, 1968, MAKROMOL CHEM, V113, P215

[2]

CHUJO K, 1967, MAKROMOLEKUL CHEM, V100, P267

[3] Structure and mechanical properties of PGA crystals and fibres [J].

de Oca, H. Montes ;

Ward, I. M. .

POLYMER, 2006, 47 (20) :7070-7077

[4] Solid state nuclear magnetic resonance study of highly oriented poly(glycolic acid) [J].

de Oca, HM ;

Ward, IM ;

Klein, PG ;

Ries, ME ;

Rose, J ;

Farrar, D .

POLYMER, 2004, 45 (21) :7261-7272

[5] The effect of initial polymer morphology on the degradation and drug release from polyglycolide [J].

Hurrell, S ;

Cameron, RE .

BIOMATERIALS, 2002, 23 (11) :2401-2409

[6] A study of the relationship between the tensile strength and dynamics of as-spun and drawn poly(glycolic acid) fibers [J].

Sekine, Sokei ;

Akieda, Hideyuki ;

Ando, Isao ;

Asakura, Tetsuo .

POLYMER JOURNAL, 2008, 40 (01) :10-16

[7] Detection of Poorly-Oriented Component in Uniaxially Stretched Poly(glycolic acid) Fiber Studied Using 13C Solid-State NMR [J].

Sekine, Sokei ;

Sakiyama, Wataru ;

Yamauchi, Kazuo ;

Asakura, Tetsuo .

POLYMER JOURNAL, 2009, 41 (08) :582-583

[8] Molecular dynamics simulation of conformational change of poly(Ala-Gly) from silk I to silk II in relation to fiber formation mechanism of Bombyx mori silk fibroin [J].

Yamane, T ;

Umemura, K ;

Nakazawa, Y ;

Asakura, T .

MACROMOLECULES, 2003, 36 (18) :6766-6772

← 1 →