Design strategy of a graphene based bio-sensor for glucose
Artikel i vetenskaplig tidskrift, 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.

Författare

Valentina Cantatore

Chalmers, Kemi och kemiteknik, Energi och material, Oorganisk miljökemi

Universita' degli Studi di Milano-Bicocca

Santosh Pandit

Chalmers, Biologi och bioteknik, Systembiologi

Venkata Raghu Mokkapati

Chalmers, Biologi och bioteknik, Systembiologi

Severin Schindler

Chalmers, Kemi och kemiteknik, Kemi och biokemi

Siegfried Eigler

Freie Universität Berlin

Ivan Mijakovic

Danmarks Tekniske Universitet (DTU)

Chalmers, Biologi och bioteknik, Systembiologi

Itai Panas

Oorganisk miljökemi 2

Carbon

0008-6223 (ISSN)

Vol. 137 343-348

Ämneskategorier

Teoretisk kemi

Organisk kemi

DOI

10.1016/j.carbon.2018.05.044