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Unveiling the Influence of Hydrated Deep Eutectic Solvents on the Dynamics of Water–Soluble Proteins

Journal Article · · Journal of Physical Chemistry. B
 [1];  [1];  [2];  [3];  [2];  [4];  [1]
  1. Department of Physical and Chemical Sciences, Università degli Studi dell’Aquila, I-67100 L’Aquila, Italy
  2. Istituto di Cristallografia, Consiglio Nazionale delle Ricerche, I-70126 Bari, Italy
  3. Dipartimento di Farmacia─Scienze del Farmaco, Università degli Studi di Bari ”Aldo Moro”, I-70125 Bari, Italy
  4. Istituto per i Processi Chimico Fisici, Consiglio Nazionale delle Ricerche, I-70125 Bari, Italy
Not provided.
Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0012704
OSTI ID:
2425519
Journal Information:
Journal of Physical Chemistry. B, Journal Name: Journal of Physical Chemistry. B Journal Issue: 29 Vol. 127; ISSN 1520-6106
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (76)

Urea, but not guanidinium, destabilizes proteins by forming hydrogen bonds to the peptide group journal February 2009
Investigation of glycerol hydrogen-bonding networks in choline chloride/glycerol eutectic-forming liquids using neutron diffraction journal January 2019
Experimental and Computational Studies of Choline Chloride-Based Deep Eutectic Solvents journal August 2014
Molecular motion and ion diffusion in choline chloride based deep eutectic solvents studied by 1H pulsed field gradient NMR spectroscopy journal January 2011
Molecular Dynamic Simulations and Vibrational Analysis of an Ionic Liquid Analogue journal August 2013
Two-dimensional detector software: From real detector to idealised image or two-theta scan journal January 1996
On the Role of Water in the Formation of a Deep Eutectic Solvent Based on NiCl2·6H2O and Urea journal May 2022
Deep Eutectic Solvents as à-la-Carte Medium for Transition-Metal-Catalyzed Organic Processes journal December 2022
Development and testing of a general amber force field journal January 2004
Deep Eutectic Solvents (DESs) and Their Applications journal October 2014
Thermal unfolding and refolding of lysozyme in deep eutectic solvents and their aqueous dilutions journal January 2013
Transition from molecular- to nano-scale segregation in a deep eutectic solvent - water mixture journal June 2021
Modifying bio-catalytic properties of enzymes for efficient biocatalysis: a review from immobilization strategies viewpoint journal February 2019
Functional Enzymes in Nonaqueous Environment: The Case of Photosynthetic Reaction Centers in Deep Eutectic Solvents journal August 2017
Effect of water on the structure and dynamics of choline chloride/glycerol eutectic systems journal November 2021
PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions journal March 2013
Deep Eutectic Solvents: Physicochemical Properties and Gas Separation Applications journal March 2015
Low-Transition-Temperature Mixtures (LTTMs): A New Generation of Designer Solvents journal February 2013
Polymorphic transitions in single crystals: A new molecular dynamics method journal December 1981
Green and Sustainable Solvents in Chemical Processes journal January 2018
Deep Eutectic Solvents Formed between Choline Chloride and Carboxylic Acids:  Versatile Alternatives to Ionic Liquids journal July 2004
The Effect of Water upon Deep Eutectic Solvent Nanostructure: An Unusual Transition from Ionic Mixture to Aqueous Solution journal August 2017
Deep Eutectic Solvents: A Review of Fundamentals and Applications journal December 2020
Phenolic hydrogen bond donors in the formation of non-ionic deep eutectic solvents: the quest for type V DES journal January 2019
Densities and refractive indices of the deep eutectic solvents (choline chloride+ethylene glycol or glycerol) and their aqueous mixtures at the temperature ranging from 298.15 to 333.15K journal July 2012
Canonical sampling through velocity rescaling journal January 2007
Resilience of Malic Acid Natural Deep Eutectic Solvent Nanostructure to Solidification and Hydration journal July 2017
Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems journal September 2015
Influence of Hydration on the Structure of Reline Deep Eutectic Solvent: A Molecular Dynamics Study journal November 2018
Formation of type III Deep Eutectic Solvents and effect of water on their intermolecular interactions journal June 2017
GROMACS: Fast, flexible, and free journal January 2005
LINCS: A linear constraint solver for molecular simulations journal September 1997
Deep eutectic solvent formation: a structural view using molecular dynamics simulations with classical force fields journal February 2017
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations journal July 2008
Canonical dynamics: Equilibrium phase-space distributions journal March 1985
How Pure and Hydrated Reline Deep Eutectic Solvents Affect the Conformation and Stability of Lysozyme: Insights from Atomistic Molecular Dynamics Simulations journal December 2020
Protein conformation in pure and hydrated deep eutectic solvents journal January 2017
Constant pressure molecular dynamics for molecular systems journal December 1983
The structures of the monoclinic and orthorhombic forms of hen egg-white lysozyme at 6 Å resolution journal March 1982
Hydrolase-catalyzed biotransformations in deep eutectic solvents journal January 2008
Evaluation of toxicity and biodegradability of choline chloride based deep eutectic solvents journal February 2015
Microstructure of Deep Eutectic Solvents: Current Understanding and Challenges journal November 2020
Protein denaturation by urea: Slash and bond journal November 2008
Is Charge Scaling Really Mandatory when Developing Fixed-Charge Atomistic Force Fields for Deep Eutectic Solvents? journal July 2020
ROOT — An object oriented data analysis framework journal April 1997
Densities and dynamic viscosities of (choline chloride+glycerol) deep eutectic solvent and its aqueous mixtures in the temperature range (283.15–363.15)K journal April 2014
Combination of Enzymes and Deep Eutectic Solvents as Powerful Toolbox for Organic Synthesis journal January 2023
The impact of charges in force field parameterization for molecular dynamics simulations of deep eutectic solvents journal November 2015
Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents journal June 2021
Deep eutectic solvents for the preservation of concentrated proteins: the case of lysozyme in 1 : 2 choline chloride : glycerol journal January 2022
Janus-faced role of water in defining nanostructure of choline chloride/glycerol deep eutectic solvent journal January 2018
Advances in deep eutectic solvents and water: applications in metal- and biocatalyzed processes, in the synthesis of APIs, and other biologically active compounds journal January 2021
Deep eutectic solvents: An overview on their interactions with water and biochemical compounds journal August 2019
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations journal October 2003
Deep eutectic solvents for redox biocatalysis journal March 2019
Deep eutectic solvents: syntheses, properties and applications journal January 2012
Thermodynamic and Transport Properties Modeling of Deep Eutectic Solvents: A Review on g E -Models, Equations of State, and Molecular Dynamics journal September 2019
A molecular dynamics method for simulations in the canonical ensemble journal June 1984
Effect of water addition on choline chloride/glycol deep eutectic solvents: Characterization of their structural and physicochemical properties journal October 2019
Applications of deep eutectic solvents in biotechnology and bioengineering—Promises and challenges journal March 2017
Natural Deep Eutectic Solvents – Solvents for the 21st Century journal March 2014
Densities of a deep eutectic solvent based on choline chloride and glycerol and its aqueous mixtures at elevated pressures journal December 2012
Insights into the Nature of Eutectic and Deep Eutectic Mixtures journal August 2018
Urea-Mediated Protein Denaturation: A Consensus View journal August 2009
VMD: Visual molecular dynamics journal February 1996
Structural adaptations in the bovine serum albumin protein in archetypal deep eutectic solvent reline and its aqueous mixtures journal January 2022
Comparison and Validation of Force Fields for Deep Eutectic Solvents in Combination with Water and Alcohol Dehydrogenase journal July 2021
Recent progress on deep eutectic solvents in biocatalysis journal July 2017
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems journal June 1993
Green solvents from ionic liquids and deep eutectic solvents to natural deep eutectic solvents journal May 2018
GROMACS 3.0: a package for molecular simulation and trajectory analysis journal August 2001
Comparison of simple potential functions for simulating liquid water journal July 1983
The peculiar effect of water on ionic liquids and deep eutectic solvents journal January 2018
Novel solvent properties of choline chloride/urea mixturesElectronic supplementary information (ESI) available: spectroscopic data. See http://www.rsc.org/suppdata/cc/b2/b210714g/ journal November 2002
PACKMOL: A package for building initial configurations for molecular dynamics simulations journal October 2009
Charge Spreading in Deep Eutectic Solvents journal September 2016

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