Design strategy of a graphene based bio-sensor for glucose

Valentina Cantatore*, Santosh Pandit, V.R.S.S. Mokkapati, Severin Schindler, Siegfried Eigler, Ivan Mijakovic, Itai Panas

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

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.
Original languageEnglish
JournalCarbon
Volume137
Pages (from-to)343-348
ISSN0008-6223
DOIs
Publication statusPublished - 2018

Cite this

Cantatore, V., Pandit, S., Mokkapati, V. R. S. S., Schindler, S., Eigler, S., Mijakovic, I., & Panas, I. (2018). Design strategy of a graphene based bio-sensor for glucose. Carbon, 137, 343-348. https://doi.org/10.1016/j.carbon.2018.05.044
Cantatore, Valentina ; Pandit, Santosh ; Mokkapati, V.R.S.S. ; Schindler, Severin ; Eigler, Siegfried ; Mijakovic, Ivan ; Panas, Itai. / Design strategy of a graphene based bio-sensor for glucose. In: Carbon. 2018 ; Vol. 137. pp. 343-348.
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title = "Design strategy of a graphene based bio-sensor for glucose",
abstract = "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 and Santosh Pandit and V.R.S.S. Mokkapati and Severin Schindler and Siegfried Eigler and Ivan Mijakovic and Itai Panas",
year = "2018",
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Cantatore, V, Pandit, S, Mokkapati, VRSS, Schindler, S, Eigler, S, Mijakovic, I & Panas, I 2018, 'Design strategy of a graphene based bio-sensor for glucose', Carbon, vol. 137, pp. 343-348. https://doi.org/10.1016/j.carbon.2018.05.044

Design strategy of a graphene based bio-sensor for glucose. / Cantatore, Valentina; Pandit, Santosh; Mokkapati, V.R.S.S.; Schindler, Severin; Eigler, Siegfried; Mijakovic, Ivan; Panas, Itai.

In: Carbon, Vol. 137, 2018, p. 343-348.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Design strategy of a graphene based bio-sensor for glucose

AU - Cantatore, Valentina

AU - Pandit, Santosh

AU - Mokkapati, V.R.S.S.

AU - Schindler, Severin

AU - Eigler, Siegfried

AU - Mijakovic, Ivan

AU - Panas, Itai

PY - 2018

Y1 - 2018

N2 - 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.

AB - 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.

U2 - 10.1016/j.carbon.2018.05.044

DO - 10.1016/j.carbon.2018.05.044

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SN - 0008-6223

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Cantatore V, Pandit S, Mokkapati VRSS, Schindler S, Eigler S, Mijakovic I et al. Design strategy of a graphene based bio-sensor for glucose. Carbon. 2018;137:343-348. https://doi.org/10.1016/j.carbon.2018.05.044