Design strategy of a graphene based bio-sensor for glucose
Journal article, 2018
A novel graphene-based glucose sensor-design is formulated and explored in silico. An ad hoc host molecule is tailored to bind to glucose by multiple hydrogen bonds. A pyridinic core is chosen for this receptor in order to allow for “socket-plug” dative bonding to boron sites of boron doped graphene. The modeling employs DFT (Density Functional Theory) together with an effective aqueous environment to take into account the solvation effect. High selectivity is demonstrated for the suggested host molecule towards glucose as compared to other possible competitors in blood such as fructose, biotin and ascorbic acid. A route to achieve improved sensitivity, exploiting the hydrophilic/hydrophobic properties of the host + glucose system for enhanced selective binding to the hydrophobic boron doped graphene support is discussed.
Author
Valentina Cantatore
Chalmers, Chemistry and Chemical Engineering, Energy and Material
University of Milano-Bicocca
Santosh Pandit
Chalmers, Biology and Biological Engineering, Systems and Synthetic Biology
Venkata Raghu Mokkapati
Chalmers, Biology and Biological Engineering, Systems and Synthetic Biology
Severin Schindler
Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry
Siegfried Eigler
Freie Universität Berlin
Ivan Mijakovic
Technical University of Denmark (DTU)
Chalmers, Biology and Biological Engineering, Systems and Synthetic Biology
Itai Panas
Chalmers, Chemistry and Chemical Engineering, Energy and Material
Published in
Carbon
0008-6223 (ISSN)
Vol. 137 p. 343-348Categorizing
Subject Categories (SSIF 2011)
Theoretical Chemistry
Organic Chemistry
Identifiers
DOI
10.1016/j.carbon.2018.05.044