Competitive binding of natural amphiphiles with graphene derivatives

Slaven Radic, Nicholas K Geitner, Ramakrishna Podila, Aleksandr Kakinen, Pengyu Chen, Pu Chun Ke, Feng Ding

Research output: Contribution to journalArticleResearchpeer-review

Abstract

Understanding the transformation of graphene derivatives by natural amphiphiles is essential for elucidating the biological and environmental implications of this emerging class of engineered nanomaterials. Using rapid discrete-molecular-dynamics simulations, we examined the binding of graphene and graphene oxide with peptides, fatty acids, and cellulose, and complemented our simulations by experimental studies of Raman spectroscopy, FTIR, and UV-Vis spectrophotometry. Specifically, we established a connection between the differential binding and the conformational flexibility, molecular geometry, and hydrocarbon content of the amphiphiles. Importantly, our dynamics simulations revealed a Vroman-like competitive binding of the amphiphiles for the graphene oxide substrate. This study provides a mechanistic basis for addressing the transformation, evolution, transport, biocompatibility, and toxicity of graphene derivatives in living systems and the natural environment.

Original languageEnglish
Article number2273
Number of pages8
JournalScientific Reports
Volume3
DOIs
Publication statusPublished - 24 Jul 2013
Externally publishedYes

Cite this

Radic, Slaven ; Geitner, Nicholas K ; Podila, Ramakrishna ; Kakinen, Aleksandr ; Chen, Pengyu ; Ke, Pu Chun ; Ding, Feng. / Competitive binding of natural amphiphiles with graphene derivatives. In: Scientific Reports. 2013 ; Vol. 3.
@article{7dcd5e0a476e4adeae4e573606041b00,
title = "Competitive binding of natural amphiphiles with graphene derivatives",
abstract = "Understanding the transformation of graphene derivatives by natural amphiphiles is essential for elucidating the biological and environmental implications of this emerging class of engineered nanomaterials. Using rapid discrete-molecular-dynamics simulations, we examined the binding of graphene and graphene oxide with peptides, fatty acids, and cellulose, and complemented our simulations by experimental studies of Raman spectroscopy, FTIR, and UV-Vis spectrophotometry. Specifically, we established a connection between the differential binding and the conformational flexibility, molecular geometry, and hydrocarbon content of the amphiphiles. Importantly, our dynamics simulations revealed a Vroman-like competitive binding of the amphiphiles for the graphene oxide substrate. This study provides a mechanistic basis for addressing the transformation, evolution, transport, biocompatibility, and toxicity of graphene derivatives in living systems and the natural environment.",
author = "Slaven Radic and Geitner, {Nicholas K} and Ramakrishna Podila and Aleksandr Kakinen and Pengyu Chen and Ke, {Pu Chun} and Feng Ding",
year = "2013",
month = "7",
day = "24",
doi = "10.1038/srep02273",
language = "English",
volume = "3",
journal = "Scientific Reports",
issn = "2045-2322",
publisher = "Nature Publishing Group",

}

Competitive binding of natural amphiphiles with graphene derivatives. / Radic, Slaven; Geitner, Nicholas K; Podila, Ramakrishna; Kakinen, Aleksandr; Chen, Pengyu; Ke, Pu Chun; Ding, Feng.

In: Scientific Reports, Vol. 3, 2273, 24.07.2013.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - Competitive binding of natural amphiphiles with graphene derivatives

AU - Radic, Slaven

AU - Geitner, Nicholas K

AU - Podila, Ramakrishna

AU - Kakinen, Aleksandr

AU - Chen, Pengyu

AU - Ke, Pu Chun

AU - Ding, Feng

PY - 2013/7/24

Y1 - 2013/7/24

N2 - Understanding the transformation of graphene derivatives by natural amphiphiles is essential for elucidating the biological and environmental implications of this emerging class of engineered nanomaterials. Using rapid discrete-molecular-dynamics simulations, we examined the binding of graphene and graphene oxide with peptides, fatty acids, and cellulose, and complemented our simulations by experimental studies of Raman spectroscopy, FTIR, and UV-Vis spectrophotometry. Specifically, we established a connection between the differential binding and the conformational flexibility, molecular geometry, and hydrocarbon content of the amphiphiles. Importantly, our dynamics simulations revealed a Vroman-like competitive binding of the amphiphiles for the graphene oxide substrate. This study provides a mechanistic basis for addressing the transformation, evolution, transport, biocompatibility, and toxicity of graphene derivatives in living systems and the natural environment.

AB - Understanding the transformation of graphene derivatives by natural amphiphiles is essential for elucidating the biological and environmental implications of this emerging class of engineered nanomaterials. Using rapid discrete-molecular-dynamics simulations, we examined the binding of graphene and graphene oxide with peptides, fatty acids, and cellulose, and complemented our simulations by experimental studies of Raman spectroscopy, FTIR, and UV-Vis spectrophotometry. Specifically, we established a connection between the differential binding and the conformational flexibility, molecular geometry, and hydrocarbon content of the amphiphiles. Importantly, our dynamics simulations revealed a Vroman-like competitive binding of the amphiphiles for the graphene oxide substrate. This study provides a mechanistic basis for addressing the transformation, evolution, transport, biocompatibility, and toxicity of graphene derivatives in living systems and the natural environment.

UR - http://www.scopus.com/inward/record.url?scp=84886518489&partnerID=8YFLogxK

U2 - 10.1038/srep02273

DO - 10.1038/srep02273

M3 - Article

VL - 3

JO - Scientific Reports

JF - Scientific Reports

SN - 2045-2322

M1 - 2273

ER -