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Nano-Encapsulation of Glucose Oxidase Dimer by Graphene

Published online by Cambridge University Press:  27 February 2015

Umesh Ghoshdastider ,
Rongliang Wu ,
Bartosz Trzaskowski ,
Krzysztof Mlynarczyk ,
Przemyslaw Miszta ,
Manickam Gurusaran ,
Sowmya Viswanathan ,
Venkatesan Renugopalakrishnan  and
Slawomir Filipek
Umesh Ghoshdastider
Affiliation:
International Institute of Molecular and Cell Biology, Warszawa, Poland
Rongliang Wu
Affiliation:
International Institute of Molecular and Cell Biology, Warszawa, Poland
Bartosz Trzaskowski
Affiliation:
Faculty of Chemistry, University of Warsaw, Warszawa, Poland
Krzysztof Mlynarczyk
Affiliation:
Faculty of Chemistry, University of Warsaw, Warszawa, Poland
Przemyslaw Miszta
Affiliation:
Faculty of Chemistry, University of Warsaw, Warszawa, Poland
Manickam Gurusaran
Affiliation:
Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore, India Children’s Hospital, Harvard Medical School, Boston, Massachusetts, USA
Sowmya Viswanathan
Affiliation:
Wellesley Hospital/Partners Healthcare System, Newton, Massachusetts, USA.
Venkatesan Renugopalakrishnan
Affiliation:
Children’s Hospital, Harvard Medical School, Boston, Massachusetts, USA
Slawomir Filipek*
Affiliation:
Faculty of Chemistry, University of Warsaw, Warszawa, Poland
*
*Corresponding Author: [email protected]
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Abstract

Using all-atom molecular dynamics simulations in water environment, it was possible to demonstrate spontaneous and tight encapsulation of glucose oxidase (GOx) dimer by graphene 7 nm x 7 nm sheets linked together by linkers of different width and forming a flower-like or cross-like shapes. The partially overlapping graphene sheets compacted the structure of GOx dimer, bringing the monomers much closer to one another. We found that the most complete wrapping of the enzyme was achieved for the cross-like graphene. Encapsulation can be a useful way to obtain a large contact surface. However, an exceptionally tight binding by the graphene can also influence the positions of amino acids in the enzyme binding site resulting in less efficient catalytic reaction. Furthermore, such extensive encapsulation could block the access of the substrate to the active site of the enzyme. Contrary, a partial encapsulation by graphene using nano-sheets caused only small distortions of GOx structure while the contact surface with graphene was high.

Keywords

biomedicalsensornanostructure
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1725: Symposium I – Emerging 1D and 2D Nanomaterials in Health Care , 2015 , mrsf14-1725-i02-04
Copyright
Copyright © Materials Research Society 2015 

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Footnotes

‡

These authors contributed equally.

§

Present Addresses: UG: Institute of Molecular and Cell Biology (A*STAR), Singapore. RW: College of Material Science and Engineering, Donghua University, Shanghai, China.

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