Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations
Published 2017 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations
Authors
Keywords
-
Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 19, Issue 10, Pages 6909-6920
Publisher
Royal Society of Chemistry (RSC)
Online
2017-01-12
DOI
10.1039/c6cp07284d
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Vibrational Spectroscopy and Dynamics of Water
- (2016) Fivos Perakis et al. CHEMICAL REVIEWS
- Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures
- (2016) Christoph Hölzl et al. JOURNAL OF CHEMICAL PHYSICS
- Model Dependency of TMAO’s Counteracting Effect Against Action of Urea: Kast Model versus Osmotic Model of TMAO
- (2016) Gargi Borgohain et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Infrared and Fluorescence Assessment of Protein Dynamics: From Folding to Function
- (2016) Bei Ding et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations Reveal a Rotationally Fluid Adsorption State of α-Pinene on Silica
- (2016) Junming Ho et al. Journal of Physical Chemistry C
- Unveiling the Amphiphilic Nature of TMAO by Vibrational Sum Frequency Generation Spectroscopy
- (2016) Tatsuhiko Ohto et al. Journal of Physical Chemistry C
- How Osmolyte and Denaturant Affect Water at the Air–Water Interface and in Bulk: A Heterodyne-Detected Vibrational Sum Frequency Generation (HD-VSFG) and Hydration Shell Spectroscopic Study
- (2016) Mohammed Ahmed et al. Journal of Physical Chemistry C
- Effect of Trimethylamine N-Oxide on Interfacial Electrostatics at Phospholipid Monolayer–Water Interfaces and Its Relevance to Cardiovascular Disease
- (2016) Jahur A. Mondal Journal of Physical Chemistry Letters
- Hydrophobic Association in Mixed Urea–TMAO Solutions
- (2016) Pritam Ganguly et al. Journal of Physical Chemistry Letters
- Ultrafast Reorientational Dynamics of Leucine at the Air–Water Interface
- (2016) Michael A. Donovan et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Influence of TMAO and urea on the structure of water studied by inelastic X-ray scattering
- (2016) Christoph J. Sahle et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Microscopic significance of hydrophobic residues in the protein-stabilizing effect of trimethylamine N-oxide (TMAO)
- (2016) Yanmei Yang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Hydration structure of trimethylamine N-oxide in aqueous solutions revealed by soft X-ray emission spectroscopy and chemometric analysis
- (2016) Yuu Sasaki et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ice-nucleating bacteria control the order and dynamics of interfacial water
- (2016) R. Pandey et al. Science Advances
- Molecular Structure and Dynamics of Water at the Water-Air Interface Studied with Surface-Specific Vibrational Spectroscopy
- (2015) Mischa Bonn et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Development of single-channel heterodyne-detected sum frequency generation spectroscopy and its application to the water/vapor interface
- (2015) Shoichi Yamaguchi JOURNAL OF CHEMICAL PHYSICS
- Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function
- (2015) Tatsuhiko Ohto et al. JOURNAL OF CHEMICAL PHYSICS
- Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution
- (2015) Kota Usui et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Assessment of DFT for Computing Sum Frequency Generation Spectra of an Epoxydiol and a Deuterated Isotopologue at Fused Silica/Vapor Interfaces
- (2015) Hilary M. Chase et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Lipid Carbonyl Groups Terminate the Hydrogen Bond Network of Membrane-Bound Water
- (2015) Tatsuhiko Ohto et al. Journal of Physical Chemistry Letters
- Mutual Exclusion of Urea and Trimethylamine N-Oxide from Amino Acids in Mixed Solvent Environment
- (2015) Pritam Ganguly et al. Journal of Physical Chemistry Letters
- Probing Site-Specific Structural Information of Peptides at Model Membrane Interface In Situ
- (2015) Bei Ding et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Water structure and solvation of osmolytes at high hydrostatic pressure: pure water and TMAO solutions at 10 kbar versus 1 bar
- (2015) Sho Imoto et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- On the slowdown mechanism of water dynamics around small amphiphiles
- (2015) Wagner Homsi Brandeburgo et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Water-mediated interactions between trimethylamine-N-oxide and urea
- (2015) Johannes Hunger et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory
- (2015) Jagannath Mondal et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Regulation and aggregation of intrinsically disordered peptides
- (2015) Zachary A. Levine et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Biomimetic Growth of Ultrathin Silica Sheets Using Artificial Amphiphilic Peptides
- (2015) Helmut Lutz et al. Advanced Materials Interfaces
- High-Pressure Chemical Biology and Biotechnology
- (2014) Jerson L. Silva et al. CHEMICAL REVIEWS
- Sticky water surfaces: Helix–coil transitions suppressed in a cell-penetrating peptide at the air-water interface
- (2014) Denise Schach et al. JOURNAL OF CHEMICAL PHYSICS
- Theoretical Sum Frequency Generation Spectroscopy of Peptides
- (2014) Joshua K. Carr et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Comment on “Water’s Structure around Hydrophobic Solutes and the Iceberg Model”
- (2014) Giuseppe Graziano JOURNAL OF PHYSICAL CHEMISTRY B
- Reply to “Comment on ‘Water’s Structure around Hydrophobic Solutes and the Iceberg Model’”
- (2014) N. Galamba JOURNAL OF PHYSICAL CHEMISTRY B
- Microscopic insights into the protein-stabilizing effect of trimethylamine N-oxide (TMAO)
- (2014) J. Ma et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Complete Raman Spectral Assignment of Methanol in the C–H Stretching Region
- (2013) Yuanqin Yu et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Double Resolution Model for Studying TMAO/Water Effective Interactions
- (2013) Luca Larini et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Water’s Structure around Hydrophobic Solutes and the Iceberg Model
- (2013) N. Galamba JOURNAL OF PHYSICAL CHEMISTRY B
- Insight into the Molecular Mechanisms of Protein Stabilizing Osmolytes from Global Force-Field Variations
- (2013) Emanuel Schneck et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Trimethylamine N-Oxide (TMAO) and tert-Butyl Alcohol (TBA) at Hydrophobic Interfaces: Insights from Molecular Dynamics Simulations
- (2013) Andrew Fiore et al. LANGMUIR
- Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications
- (2013) Tapta Kanchan Roy et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Water dynamics: Relation between hydrogen bond bifurcations, molecular jumps, local density & hydrophobicity
- (2013) John Tatini Titantah et al. Scientific Reports
- A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational circular dichroism spectroscopies
- (2012) Julien Bloino et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular Mechanism for the Preferential Exclusion of TMAO from Protein Surfaces
- (2012) Deepak R. Canchi et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Solute’s Perspective on How Trimethylamine Oxide, Urea, and Guanidine Hydrochloride Affect Water’s Hydrogen Bonding Ability
- (2012) Ileana M. Pazos et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Complex Formation in Aqueous Trimethylamine-N-oxide (TMAO) Solutions
- (2012) Johannes Hunger et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Long-Time Correlations and Hydrophobe-Modified Hydrogen-Bonding Dynamics in Hydrophobic Hydration
- (2012) John Tatini Titantah et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Volume Exclusion and H-Bonding Dominate the Thermodynamics and Solvation of Trimethylamine-N-oxide in Aqueous Urea
- (2012) Jörg Rösgen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Three Distinct Water Structures at a Zwitterionic Lipid/Water Interface Revealed by Heterodyne-Detected Vibrational Sum Frequency Generation
- (2012) Jahur A. Mondal et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A rationale for the contrasting activity (towards globular proteins) of tert-butyl alcohol and trimethylamine N-oxide
- (2012) Giuseppe Graziano PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Aqueous solvation of amphiphilic solutes: concentration and temperature dependent study of the ultrafast polarisability relaxation dynamics
- (2012) Kamila Mazur et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Selected new developments in vibrational structure theory: potential construction and vibrational wave function calculations
- (2012) Ove Christiansen PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Biomarkers of Whale Shark Health: A Metabolomic Approach
- (2012) Alistair D. M. Dove et al. PLoS One
- Direct comparison of phase-sensitive vibrational sum frequency generation with maximum entropy method: Case study of water
- (2011) Alex G. F. de Beer et al. JOURNAL OF CHEMICAL PHYSICS
- Hydrophobic Molecules Slow Down the Hydrogen-Bond Dynamics of Water
- (2011) Artem A. Bakulin et al. JOURNAL OF PHYSICAL CHEMISTRY A
- THz Spectra and Dynamics of Aqueous Solutions Studied by the Ultrafast Optical Kerr Effect
- (2011) Kamila Mazur et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Is a Methyl Group Always Hydrophobic? Hydrophilicity of Trimethylamine-N-oxide, Tetramethyl Urea and Tetramethylammonium Ion
- (2011) Yoshikata Koga et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Entropic Stabilization of Proteins by TMAO
- (2011) Samuel S. Cho et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Raman Spectroscopic Signatures of Noncovalent Interactions Between Trimethylamine N-oxide (TMAO) and Water
- (2011) Katherine L. Munroe et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Methyl Groups of TrimethylamineN-Oxide Orient Away from Hydrophobic Interfaces
- (2011) Laura B. Sagle et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Peptide Conformational Preferences in Osmolyte Solutions: Transfer Free Energies of Decaalanine
- (2011) Hironori Kokubo et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Interfacial Orientation and Secondary Structure Change in Tachyplesin I: Molecular Dynamics and Sum Frequency Generation Spectroscopy Studies
- (2011) Andrew P. Boughton et al. LANGMUIR
- How does trimethylamine N-oxide counteract the denaturing activity of urea?
- (2011) Giuseppe Graziano PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- An X-ray and neutron scattering study of the equilibrium between trimethylamine N-oxide and urea in aqueous solution
- (2011) Filip Meersman et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries
- (2010) I. M. Alecu et al. Journal of Chemical Theory and Computation
- Water Hydrogen Bond Dynamics in Aqueous Solutions of Amphiphiles
- (2010) Guillaume Stirnemann et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Surface Orientation of Magainin 2: Molecular Dynamics Simulation and Sum Frequency Generation Vibrational Spectroscopic Studies
- (2010) Andrew P. Boughton et al. LANGMUIR
- Counteraction of Urea by Trimethylamine N-Oxide Is Due to Direct Interaction
- (2009) Filip Meersman et al. BIOPHYSICAL JOURNAL
- Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water
- (2009) H. J. Bakker et al. CHEMICAL REVIEWS
- Direct evidence for orientational flip-flop of water molecules at charged interfaces: A heterodyne-detected vibrational sum frequency generation study
- (2009) JOURNAL OF CHEMICAL PHYSICS
- Destabilization of the Hydrogen-Bond Structure of Water by the Osmolyte TrimethylamineN-Oxide†
- (2009) Y. L. A. Rezus et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Effects of Urea and Trimethylamine-N-oxide on the Properties of Water and the Secondary Structure of Hen Egg White Lysozyme
- (2009) Aneta Panuszko et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Why Water Reorientation Slows without Iceberg Formation around Hydrophobic Solutes
- (2009) Damien Laage et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Determining Absolute Molecular Orientation at Interfaces: A Phase Retrieval Approach for Sum Frequency Generation Spectroscopy
- (2009) Maria Sovago et al. Journal of Physical Chemistry C
- Effect of Osmolytes on Pressure-Induced Unfolding of Proteins: A High-Pressure SAXS Study
- (2008) Christina Krywka et al. CHEMPHYSCHEM
- Thermal Signature of Hydrophobic Hydration Dynamics
- (2008) Johan Qvist et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6
- (2008) Kiyoshi Yagi et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More