Protein-style dynamical transition in a non-biological polymer and a non-aqueous solvent
Abstract
Using neutron scattering and molecular dynamics simulation, techniques most often associated with protein dynamical transition studies, we have investigated the microscopic dynamics of one of the most common polymers, polystyrene, which was exposed to toluene vapor, mimicking the process of protein hydration from water vapor. Polystyrene with adsorbed toluene is an example of a solvent-solute system, which, unlike biopolymers, is anhydrous and lacks hydrogen bonding. Nevertheless, it exhibits the essential traits of the dynamical transition in biomolecules, such as a specific dependence of the microscopic dynamics of both solvent and host on the temperature and the amount of solvent adsorbed. Ultimately, we conclude that the protein dynamical transition is a manifestation of a universal solvent-solute dynamical relationship, which is not specific to either biomolecules as solute, or aqueous media as solvent, or even a particular type of interactions between solvent and solute.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bhabha Atomic Research Centre (BARC), Mumbai (India)
- National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States); Univ. of Maryland, College Park, MD (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1245358
- Grant/Contract Number:
- AC05-00OR22725; DMR-1508249; FWP-3ERKCSNL
- 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: 12; Journal ID: ISSN 1520-6106
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Mamontov, E., Sharma, V. K., Borreguero, J. M., and Tyagi, M. Protein-style dynamical transition in a non-biological polymer and a non-aqueous solvent. United States: N. p., 2016.
Web. doi:10.1021/acs.jpcb.6b00866.
Mamontov, E., Sharma, V. K., Borreguero, J. M., & Tyagi, M. Protein-style dynamical transition in a non-biological polymer and a non-aqueous solvent. United States. https://doi.org/10.1021/acs.jpcb.6b00866
Mamontov, E., Sharma, V. K., Borreguero, J. M., and Tyagi, M. Tue .
"Protein-style dynamical transition in a non-biological polymer and a non-aqueous solvent". United States. https://doi.org/10.1021/acs.jpcb.6b00866. https://www.osti.gov/servlets/purl/1245358.
@article{osti_1245358,
title = {Protein-style dynamical transition in a non-biological polymer and a non-aqueous solvent},
author = {Mamontov, E. and Sharma, V. K. and Borreguero, J. M. and Tyagi, M.},
abstractNote = {Using neutron scattering and molecular dynamics simulation, techniques most often associated with protein dynamical transition studies, we have investigated the microscopic dynamics of one of the most common polymers, polystyrene, which was exposed to toluene vapor, mimicking the process of protein hydration from water vapor. Polystyrene with adsorbed toluene is an example of a solvent-solute system, which, unlike biopolymers, is anhydrous and lacks hydrogen bonding. Nevertheless, it exhibits the essential traits of the dynamical transition in biomolecules, such as a specific dependence of the microscopic dynamics of both solvent and host on the temperature and the amount of solvent adsorbed. Ultimately, we conclude that the protein dynamical transition is a manifestation of a universal solvent-solute dynamical relationship, which is not specific to either biomolecules as solute, or aqueous media as solvent, or even a particular type of interactions between solvent and solute.},
doi = {10.1021/acs.jpcb.6b00866},
journal = {Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry},
number = 12,
volume = 120,
place = {United States},
year = {Tue Mar 15 00:00:00 EDT 2016},
month = {Tue Mar 15 00:00:00 EDT 2016}
}
Web of Science
Works referenced in this record:
Water–protein dynamic coupling and new opportunities for probing it at low to physiological temperatures in aqueous solutions
journal, January 2012
- Mamontov, Eugene; Chu, Xiang-qiang
- Physical Chemistry Chemical Physics, Vol. 14, Issue 33
Protein dynamics: from rattling in a cage to structural relaxation
journal, January 2015
- Khodadadi, S.; Sokolov, A. P.
- Soft Matter, Vol. 11, Issue 25
Slaving: Solvent fluctuations dominate protein dynamics and functions
journal, November 2002
- Fenimore, P. W.; Frauenfelder, H.; McMahon, B. H.
- Proceedings of the National Academy of Sciences, Vol. 99, Issue 25
Bulk-solvent and hydration-shell fluctuations, similar to - and -fluctuations in glasses, control protein motions and functions
journal, September 2004
- Fenimore, P. W.; Frauenfelder, H.; McMahon, B. H.
- Proceedings of the National Academy of Sciences, Vol. 101, Issue 40
A unified model of protein dynamics
journal, February 2009
- Frauenfelder, H.; Chen, G.; Berendzen, J.
- Proceedings of the National Academy of Sciences, Vol. 106, Issue 13
Protein–water displacement distributions
journal, June 2005
- Doster, Wolfgang; Settles, Marcus
- Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, Vol. 1749, Issue 2
Dynamics of Biological Macromolecules: Not a Simple Slaving by Hydration Water
journal, April 2010
- Khodadadi, S.; Roh, J. H.; Kisliuk, A.
- Biophysical Journal, Vol. 98, Issue 7
Dynamical transition of myoglobin revealed by inelastic neutron scattering
journal, February 1989
- Doster, Wolfgang; Cusack, Stephen; Petry, Winfried
- Nature, Vol. 337, Issue 6209
The two-step scenario of the protein dynamical transition
journal, January 2011
- Doster, W.
- Journal of Non-Crystalline Solids, Vol. 357, Issue 2
Recent progress on polymer dynamics by neutron scattering: From simple polymers to complex materials
journal, October 2012
- Colmenero, Juan; Arbe, Arantxa
- Journal of Polymer Science Part B: Polymer Physics, Vol. 51, Issue 2
Probing the Flexibility of the Bacterial Reaction Center: The Wild-Type Protein Is More Rigid Than Two Site-Specific Mutants
journal, December 2007
- Sacquin-Mora, Sophie; Sebban, Pierre; Derrien, Valérie
- Biochemistry, Vol. 46, Issue 51
Protein Dynamical Transition Does Not Require Protein Structure
journal, October 2008
- He, Yunfen; Ku, Pei I.; Knab, J. R.
- Physical Review Letters, Vol. 101, Issue 17
Mean-squared atomic displacements in hydrated lysozyme, native and denatured
journal, January 2010
- Mamontov, Eugene; O’Neill, Hugh; Zhang, Qiu
- Journal of Biological Physics, Vol. 36, Issue 3
The “Protein Dynamical Transition” Does Not Require the Protein Polypeptide Chain
journal, August 2011
- Schirò, Giorgio; Caronna, Chiara; Natali, Francesca
- The Journal of Physical Chemistry Letters, Vol. 2, Issue 18
Suppression of the dynamic transition in surface water at low hydration levels: A study of water on rutile
journal, May 2009
- Mamontov, Eugene; Vlcek, Lukas; Wesolowski, David J.
- Physical Review E, Vol. 79, Issue 5
Common features in the microscopic dynamics of hydration water on organic and inorganic surfaces
journal, January 2012
- Mamontov, E.; O’Neill, H.; Zhang, Q.
- Journal of Physics: Condensed Matter, Vol. 24, Issue 6
Hydration-dependent dynamics of deeply cooled water under strong confinement
journal, April 2013
- Bertrand, C. E.; Liu, K. -H.; Mamontov, E.
- Physical Review E, Vol. 87, Issue 4
Dynamics of tRNA at Different Levels of Hydration
journal, April 2009
- Roh, J. H.; Briber, R. M.; Damjanovic, A.
- Biophysical Journal, Vol. 96, Issue 7
Hydration-dependent dynamic crossover phenomenon in protein hydration water
journal, October 2014
- Wang, Zhe; Fratini, Emiliano; Li, Mingda
- Physical Review E, Vol. 90, Issue 4
The high-flux backscattering spectrometer at the NIST Center for Neutron Research
journal, May 2003
- Meyer, A.; Dimeo, R. M.; Gehring, P. M.
- Review of Scientific Instruments, Vol. 74, Issue 5
A time-of-flight backscattering spectrometer at the Spallation Neutron Source, BASIS
journal, August 2011
- Mamontov, E.; Herwig, K. W.
- Review of Scientific Instruments, Vol. 82, Issue 8
Structure and energetics of ligand binding to proteins:Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system
journal, January 1988
- Dauber-Osguthorpe, Pnina; Roberts, Victoria A.; Osguthorpe, David J.
- Proteins: Structure, Function, and Genetics, Vol. 4, Issue 1
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
journal, July 2012
- Lindner, Benjamin; Smith, Jeremy C.
- Computer Physics Communications, Vol. 183, Issue 7
Mantid—Data analysis and visualization package for neutron scattering and SR experiments
journal, November 2014
- Arnold, O.; Bilheux, J. C.; Borreguero, J. M.
- Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 764
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
journal, June 2013
- Roe, Daniel R.; Cheatham, Thomas E.
- Journal of Chemical Theory and Computation, Vol. 9, Issue 7
Scaling analysis of bio-molecular dynamics derived from elastic incoherent neutron scattering experiments
journal, July 2013
- Doster, W.; Nakagawa, H.; Appavou, M. S.
- The Journal of Chemical Physics, Vol. 139, Issue 4
Fast relaxations of amorphous polystyrene
journal, August 1995
- Kawaguchi, T.; Kanaya, T.; Kaji, K.
- Physica B: Condensed Matter, Vol. 213-214
Fast process of amorphous polystyrene below and above the glass transition temperature T g as studied by quasielastic neutron scattering
journal, March 1996
- Kanaya, T.; Kawaguchi, T.; Kaji, K.
- The Journal of Chemical Physics, Vol. 104, Issue 10
Glassy Dynamics of Polystyrene by Quasielastic Neutron Scattering
journal, April 2011
- Arrese-Igor, S.; Arbe, A.; Frick, B.
- Macromolecules, Vol. 44, Issue 8
Low-energy excitations and the fast process of polystyrene thin supported films studied by inelastic and quasielastic neutron scattering
journal, August 2006
- Inoue, Rintaro; Kanaya, Toshiji; Nishida, Koji
- Physical Review E, Vol. 74, Issue 2
Translational diffusion of hydration water correlates with functional motions in folded and intrinsically disordered proteins
journal, March 2015
- Schirò, Giorgio; Fichou, Yann; Gallat, Francois-Xavier
- Nature Communications, Vol. 6, Issue 1
Direct Evidence of the Amino Acid Side Chain and Backbone Contributions to Protein Anharmonicity
journal, February 2010
- Schiró, Giorgio; Caronna, Chiara; Natali, Francesca
- Journal of the American Chemical Society, Vol. 132, Issue 4
Works referencing / citing this record:
Low-Temperature Dynamical Transition in Lipid Bilayers Detected by Spin-Label ESE Spectroscopy
journal, October 2018
- Golysheva, Elena A.; De Zotti, Marta; Toniolo, Claudio
- Applied Magnetic Resonance, Vol. 49, Issue 12
Evidence of a low-temperature dynamical transition in concentrated microgels
journal, September 2018
- Zanatta, Marco; Tavagnacco, Letizia; Buratti, Elena
- Science Advances, Vol. 4, Issue 9
Evidence of a low-temperature dynamical transition in concentrated microgels
text, January 2018
- Zanatta, Marco; Tavagnacco, Letizia; Buratti, Elena
- arXiv
Evidence of a low-temperature dynamical transition in concentrated microgels
text, January 2018
- Zanatta, Marco; Tavagnacco, Letizia; Buratti, Elena
- arXiv