Translational Entropy and Dispersion Energy Jointly Drive the Adsorption of Urea to Cellulose.

No abstract is available for this paper.

• Publication year

  2017

• Venue

  Journal of Physical Chemistry B

• Publication date

  2017-03-08

• Fields of study

  Medicine, Materials Science, Chemistry

• Identifiers
  DOI 10.1021/acs.jpcb.6b11914PMID 28221796
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• High Strength Chitosan Hydrogels with Biocompatibility via New Avenue Based on Constructing Nanofibrous Architecture

  2015cited by this paper
• Intermolecular interaction and the extended wormlike chain conformation of chitin in NaOH/urea aqueous solution.

  2015cited by this paper
• The mechanism of cellulose solubilization by urea studied by molecular simulation

  2015cited by this paper
• A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers1

  2015cited by this paper
• Molecular dynamics simulation of aqueous urea solution: is urea a structure breaker?

  2014cited by this paper
• Atomic partial charges and one Lennard-Jones parameter crucial to model cellulose allomorphs

  2014cited by this paper
• Dissolution of cellulose in aqueous NaOH/urea solution: role of urea

  2014cited by this paper
• Intermolecular interactions and 3D structure in cellulose-NaOH-urea aqueous system.

  2014cited by this paper
• Molecular Insight into Different Denaturing Efficiency of Urea, Guanidinium, and Methanol: A Comparative Simulation Study.

  2013cited by this paper
• Role of urea in alkaline dissolution of cellulose

  2013cited by this paper
• Stabilization by urea during thermal unfolding-mediated aggregation of recombinant human interleukin-1 receptor (type II): does solvation entropy play a role?

  2012cited by this paper
• Mechanism of hydrophobic drug solubilization by small molecule hydrotropes.

  2012cited by this paper
• Rationalizing cellulose (in)solubility: reviewing basic physicochemical aspects and role of hydrophobic interactions

  2012cited by this paper
• Concentration enrichment of urea at cellulose surfaces: results from molecular dynamics simulations and NMR spectroscopy

  2012cited by this paper
• Impact of hydrogen bonding on inclusion layer of urea to cellulose: Study of molecular dynamics simulation

  2012cited by this paper
• Torsional Entropy at the Origin of the Reversible Temperature-Induced Phase Transition of Cellulose

  2012cited by this paper
• Understanding protein unfolding from molecular simulations

  2012cited by this paper
• The thermodynamics study on the dissolution mechanism of cellobiose in NaOH/urea aqueous solution

  2012cited by this paper
• Urea-induced drying of hydrophobic nanotubes: comparison of different urea models.

  2011cited by this paper
• A reoptimized GROMOS force field for hexopyranose‐based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers

  2011cited by this paper
• Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

  2011cited by this paper
• Standard Enthalpies and Heat Capacities of Solution of Urea and Tetramethylurea in Water

  2010cited by this paper
• Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.

  2010cited by this paper
• The kinetics of cellulose dissolution in sodium hydroxide solution at low temperatures

  2009cited by this paper
• CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields

  2009cited by this paper
• CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses.

  2009cited by this paper
• Quantitative modelfree analysis of urea binding to unfolded ubiquitin using a combination of small angle X-ray and neutron scattering.

  2009cited by this paper
• Dynamic Self-Assembly Induced Rapid Dissolution of Cellulose at Low Temperatures

  2008cited by this paper
• Polar or Apolar—The Role of Polarity for Urea-Induced Protein Denaturation

  2008cited by this paper
• GLYCAM06: A generalizable biomolecular force field. Carbohydrates

  2008cited by this paper
• The dissolution of microcrystalline cellulose in sodium hydroxide-urea aqueous solutions

  2008cited by this paper
• GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation.

  2008cited by this paper
• Cross polarisation/magic angle spinning 13C-NMR spectroscopic studies of cellulose structural changes in hardwood dissolving pulp process

  2007cited by this paper
• Canonical sampling through velocity rescaling.

  2007cited by this paper
• Measurement and Prediction of Thermochemical Properties: Improved Increments for the Estimation of Enthalpies of Sublimation and Standard Enthalpies of Formation of Alkyl Derivatives of Urea

  2006cited by this paper
• Does urea denature hydrophobic interactions?

  2006cited by this paper
• Rapid dissolution of cellulose in LiOH/urea and NaOH/urea aqueous solutions.

  2005cited by this paper
• Solid state 13C CP MAS NMR study of molecular motions and interactions of urea adsorbed on cotton cellulose

  2004cited by this paper
• Development and testing of a general amber force field

  2004cited by this paper
• Computer Simulation of Urea−Water Mixtures: A Test of Force Field Parameters for Use in Biomolecular Simulation

  2004cited by this paper
• The effect of the failure of isotropy of a gas in an effusion cell on the vapor pressure and enthalpy of sublimation for alkyl derivatives of carbamide

  2003cited by this paper
• The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids

  2003cited by this paper
• The molecular basis for the chemical denaturation of proteins by urea

  2003cited by this paper
• Crystal structure and hydrogen-bonding system in cellulose Ibeta from synchrotron X-ray and neutron fiber diffraction.

  2002cited by this paper
• Hydrophilicity and Lipophilicity of Cellulose Crystal Surfaces.

  2001cited by this paper
• Resolving the hydrogen bond dynamics conundrum

  2000cited by this paper
• LINCS: A linear constraint solver for molecular simulations

  1997cited by this paper
• Effect of environment on hydrogen bond dynamics in liquid water.

  1996cited by this paper
• Hydrogen-bond kinetics in liquid water

  1996cited by this paper
• Structure and hydrogen bond dynamics of water-dimethyl sulfoxide mixtures by computer simulations. Interim report, April 1992-October 1993

  1993cited by this paper
• Molecular dynamics with coupling to an external bath

  1984cited by this paper
• Molecular dynamics study of solvation in urea-water solution

  1984cited by this paper
• Solvation of Hydrophobic Species in Aqueous Urea Solution: A Molecular Dynamics Study

  1984cited by this paper
• Comparison of simple potential functions for simulating liquid water

  1983cited by this paper
• Thermodynamics and quantum corrections from molecular dynamics for liquid water

  1982cited by this paper
• Quiet high resolution computer models of a plasma

  1974cited by this paper
• Urea in the history of organic chemistry: Isolation from natural sources

  1956cited by this paper
• A Study of the Diffusion of Urea in Water at 25° with the Gouy Interference Method1

  1952cited by this paper

• 3D Cu-BTC anchored on 2D MXene nanosheets using surface control approach for urea adsorption to achieve the regeneration of dialysate

  2025cites this paper
• Sorbent-based dialysate regeneration for the wearable artificial kidney: Advancing material innovation via experimental and computational studies

  2024cites this paper
• Micromorphology reformation of regenerated cellulose nanofibers from corn (Zea Mays) stalk pith in urea solution with high-speed shear induced.

  2024cites this paper
• Preparation of flexible covalent organic frameworks from a very cheap diamine monomer for highly efficient adsorption of naphthalene and its derivatives

  2024cites this paper
• The thermodynamics of enhanced dope stability of cellulose solution in NaOH solution by urea.

  2023cites this paper
• Understanding Nanocellulose–Water Interactions: Turning a Detriment into an Asset

  2023cites this paper
• OSA improved the stability and applicability of emulsions prepared with enzymatically hydrolyzed pomelo peel insoluble fiber

  2022cites this paper
• The sustainability of phytomass-derived materials: thermodynamical aspects, life cycle analysis and research perspectives

  2022cites this paper
• Edge-On (Cellulose II) and Face-On (Cellulose I) Adsorption of Cellulose Nanocrystals at the Oil–Water Interface: A Combined Entropic and Enthalpic Process

  2022cites this paper
• Hydrophobic interactions control the self-assembly of DNA and cellulose

  2021cites this paper
• Cellulose and the role of hydrogen bonds: not in charge of everything

  2021cites this paper
• Combining computational and experimental studies for a better understanding of cellulose and its analogs.

  2021cites this paper
• Nanocellulose preparation via a dissolution and regeneration process and application to wood‐plastic composites as toughness enhancement

  2021cites this paper
• Two Faces of the Two-Phase Thermodynamic Model

  2021cites this paper
• New Patchy Particle Model with Anisotropic Patches for Molecular Dynamics Simulations: Application to a Coarse-Grained model of Cellulose Nanocrystal.

  2020cites this paper
• Construction of cellulose-based Pickering stabilizer as a novel interfacial antioxidant: A bioinspired oxygen protection strategy.

  2020cites this paper
• Exploring the diffusion behavior of urea aqueous solution in the viscose film by ATR-FTIR spectroscopy

  2020cites this paper
• The role of urea in the solubility of cellulose in aqueous quaternary ammonium hydroxide

  2020cites this paper
• A novel supra coarse-grained model for cellulose

  2020influential citation
• Nuclear Quantum Effects from the Analysis of Smoothed Trajectories: Pilot Study for Water

  2020cites this paper
• Entropy drives the adsorption of xyloglucan to cellulose surfaces - A molecular dynamics study.

  2020cites this paper
• Thermodynamics of adsorption on nanocellulose surfaces

  2019cites this paper
• Adsorption and Desorption of Organic Molecules From Thin Cellulose Films

  2019cites this paper
• Molecular insight into the wetting behavior and amphiphilic character of cellulose nanocrystals.

  2019cites this paper
• Hydration-Dependent Dynamical Modes in Xyloglucan from Molecular Dynamics Simulation of 13C NMR Relaxation Times and Their Distributions.

  2018cites this paper
• Probing the self-assembly dynamics and internal structure of amphiphilic hyaluronic acid conjugates by fluorescence spectroscopy and molecular dynamics simulations.

  2018cites this paper
• Cationic hydrophobicity promotes dissolution of cellulose in aqueous basic solution by freezing-thawing.

  2018cites this paper
• Toward Improved Understanding of the Interactions between Poorly Soluble Drugs and Cellulose Nanofibers.

  2018cites this paper
• Influence of cation on the cellulose dissolution investigated by MD simulation and experiments

  2017cites this paper
• Cellulose nanofibers enable paraffin encapsulation and the formation of stable thermal regulation nanocomposites

  2017cites this paper
• A novel self-assembly Lentinan-tetraphenylethylene​ composite with strong blue​ fluorescence in water and its properties.

  2017cites this paper