Ab initio statistical mechanics based on the rotational isomeric state scheme and molecular orbital calculations has been applied to poly((R)-3-hydroxybutyrate)(PHB) to elucidate its conformational characteristics and configurational properties. This article presents fully consistent interpretations on its bond conformations, solution properties, crystal structure, thermal properties and interactions with a PHB depolymerase in terms of the conformational characteristics.
- Yuji Sasanuma
- Shiori Katsumata
