The conformational properties of bacterially synthesized copolyesters of 3-hydroxybutyrate (3HB) and 3-hydroxyvalerate (3HV), P(3HB-co-3HV), have been studied using the MM2 molecular mechanics method. The MM2 calculation is applied to some model compounds having carefully selected initial geometries and finite chain length. The present calculation reveals that the isolated copolymer chain of P(3HB-co-3HV) has some types of stable 21 helices over the whole comonomer composition range, and that the distortion induced on the helical conformation is much greater when 3HV units are incorporated into the 3HB helix than when 3HB units are incorporated into the 3HV helix. On the basis of these results, the crystalline morphology is discussed.
Посилання на статтю:
A molecular mechanics study on conformations of bacterial polyester poly- ( 3- hyd roxybutyrate-co-3- hyd roxyva lerate ) / Kazuhiro Nakamura, Naoko Kamiya, Minoru Sakurai, Yoshio Inoue*and Riichir6 Ch0j6 // Polymer. – 1992. – Vol 33. – P. 817-822.