[14a-B8-1~12] 12.7 Biomedical Engineering and Biochips

[14a-B8-6] Simulation of structures in molecular imprinted polymer gel based on density functional theory.

〇Yuki Maekawa¹, Shoichi Nishitani¹, Taira Kajisa², Toshiya Sakata¹ (1.Univ. of Tokyo, 2.PROVIGATE Inc.)

Keywords:density functional theory, molecular imprinted polymer gel, FET biosensor

Molecular imprinted polymer (MIP) gel acheives high affinity to a chosen materials by leaving them in a gel as a templete. By combining MIP gel and Field Effect Transistor (FET) biosensing techniques, our research group succeeds in selective measurement of a certain materials. Elucidation of informations of atomic configurations are essential to the improvement of MIP gel, however they are difficult by experimental methods. In this study, The stable structures of complex between target materials and functional groups in the MIP gel, such as complex of 4-vinyl phenyl boronic acid and fructose, and creatinine and methacrylic acids, were simulated using density functional theory.