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Title: Enhanced dynamics of hydrated tRNA on nanodiamond surfaces: A combined neutron scattering and MD simulation study

Abstract

Nontoxic, biocompatible nanodiamonds (ND) have recently been implemented in rational, systematic design of optimal therapeutic use in nanomedicines. However, hydrophilicity of the ND surface strongly influences structure and dynamics of biomolecules that restrict in situ applications of ND. Therefore, fundamental understanding of the impact of hydrophilic ND surface on biomolecules at the molecular level is essential. For tRNA, we observe an enhancement of dynamical behavior in the presence of ND contrary to generally observed slow motion at strongly interacting interfaces. We took advantage of neutron scattering experiments and computer simulations to demonstrate this atypical faster dynamics of tRNA on ND surface. The strong attractive interactions between ND, tRNA, and water give rise to unlike dynamical behavior and structural changes of tRNA in front of ND compared to without ND. As a result, our new findings may provide new design principles for safer, improved drug delivery platforms.

Authors:
 [1];  [1];  [2];  [2];  [2];  [2];  [3];  [2];  [1]
+ Show Author Affiliations
  1. Wayne State Univ., Detroit, MI (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Shanghai Jiao Tong Univ., Shanghai (China)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1329113
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry
Additional Journal Information:
Journal Volume: 120; Journal Issue: 38; Journal ID: ISSN 1520-6106
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 59 BASIC BIOLOGICAL SCIENCES

Citation Formats

Dhindsa, Gurpreet K., Bhowmik, Debsindhu, Goswami, Monojoy, O’Neill, Hugh, Mamontov, Eugene, Sumpter, Bobby G., Hong, Liang, Ganesh, Panchapakesan, and Chu, Xiang -qiang. Enhanced dynamics of hydrated tRNA on nanodiamond surfaces: A combined neutron scattering and MD simulation study. United States: N. p., 2016. Web. doi:10.1021/acs.jpcb.6b07511.
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Dhindsa, Gurpreet K., Bhowmik, Debsindhu, Goswami, Monojoy, O’Neill, Hugh, Mamontov, Eugene, Sumpter, Bobby G., Hong, Liang, Ganesh, Panchapakesan, & Chu, Xiang -qiang. Enhanced dynamics of hydrated tRNA on nanodiamond surfaces: A combined neutron scattering and MD simulation study. United States. https://doi.org/10.1021/acs.jpcb.6b07511
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Dhindsa, Gurpreet K., Bhowmik, Debsindhu, Goswami, Monojoy, O’Neill, Hugh, Mamontov, Eugene, Sumpter, Bobby G., Hong, Liang, Ganesh, Panchapakesan, and Chu, Xiang -qiang. Thu . "Enhanced dynamics of hydrated tRNA on nanodiamond surfaces: A combined neutron scattering and MD simulation study". United States. https://doi.org/10.1021/acs.jpcb.6b07511. https://www.osti.gov/servlets/purl/1329113.
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@article{osti_1329113,
title = {Enhanced dynamics of hydrated tRNA on nanodiamond surfaces: A combined neutron scattering and MD simulation study},
author = {Dhindsa, Gurpreet K. and Bhowmik, Debsindhu and Goswami, Monojoy and O’Neill, Hugh and Mamontov, Eugene and Sumpter, Bobby G. and Hong, Liang and Ganesh, Panchapakesan and Chu, Xiang -qiang},
abstractNote = {Nontoxic, biocompatible nanodiamonds (ND) have recently been implemented in rational, systematic design of optimal therapeutic use in nanomedicines. However, hydrophilicity of the ND surface strongly influences structure and dynamics of biomolecules that restrict in situ applications of ND. Therefore, fundamental understanding of the impact of hydrophilic ND surface on biomolecules at the molecular level is essential. For tRNA, we observe an enhancement of dynamical behavior in the presence of ND contrary to generally observed slow motion at strongly interacting interfaces. We took advantage of neutron scattering experiments and computer simulations to demonstrate this atypical faster dynamics of tRNA on ND surface. The strong attractive interactions between ND, tRNA, and water give rise to unlike dynamical behavior and structural changes of tRNA in front of ND compared to without ND. As a result, our new findings may provide new design principles for safer, improved drug delivery platforms.},
doi = {10.1021/acs.jpcb.6b07511},
journal = {Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry},
number = 38,
volume = 120,
place = {United States},
year = {Thu Sep 01 00:00:00 EDT 2016},
month = {Thu Sep 01 00:00:00 EDT 2016}
}
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https://doi.org/10.1021/acs.jpcb.6b07511
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    Deep clustering of protein folding simulations
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