Simulation of a cellulose fiber in ionic liquid suggests a synergistic approach to dissolution

About the structure of cellulose: debating the Lindman hypothesis

(2012) Wolfgang G. Glasser et al.   CELLULOSE

Rationalizing cellulose (in)solubility: reviewing basic physicochemical aspects and role of hydrophobic interactions

(2012) Bruno Medronho et al.   CELLULOSE

Ionic liquid processing of cellulose

(2012) Hui Wang et al.   CHEMICAL SOCIETY REVIEWS

Effects of Cationic Structure on Cellulose Dissolution in Ionic Liquids: A Molecular Dynamics Study

(2012) Yuling Zhao et al.   CHEMPHYSCHEM

Design of Cellulose Dissolving Ionic Liquids Inspired by Nature

(2012) Kazutaka Ohira et al.   ChemSusChem

Ionic Liquids — Promising but Challenging Solvents for Homogeneous Derivatization of Cellulose

(2012) Martin Gericke et al.   MOLECULES

Entropy of cellulose dissolution in water and in the ionic liquid 1-butyl-3-methylimidazolim chloride

(2012) Adam S. Gross et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ionic-Liquid Induced Changes in Cellulose Structure Associated with Enhanced Biomass Hydrolysis

(2011) Indira P. Samayam et al.   BIOMACROMOLECULES

Transition of Cellulose Crystalline Structure and Surface Morphology of Biomass as a Function of Ionic Liquid Pretreatment and Its Relation to Enzymatic Hydrolysis

(2011) Gang Cheng et al.   BIOMACROMOLECULES

Neutron crystallographic and molecular dynamics studies of the structure of ammonia-cellulose I: rearrangement of hydrogen bonding during the treatment of cellulose with ammonia

(2011) Masahisa Wada et al.   CELLULOSE

Exploring new strategies for cellulosic biofuels production

(2011) Paul Langan et al.   Energy & Environmental Science

Transfer matrix approach to the hydrogen-bonding in cellulose Iα fibrils describes the recalcitrance to thermal deconstruction

(2011) Heinrich C. R. Klein et al.   JOURNAL OF CHEMICAL PHYSICS

Probing the Early Events Associated with Liquid Ammonia Pretreatment of Native Crystalline Cellulose

(2011) Giovanni Bellesia et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-Temperature Behavior of Cellulose I

(2011) James F. Matthews et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Study of Polysaccharides in Binary Solvent Mixtures of an Ionic Liquid and Water

(2011) Hanbin Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Restructuring the Crystalline Cellulose Hydrogen Bond Network Enhances Its Depolymerization Rate

(2011) Shishir P. S. Chundawat et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dissecting Force Interactions in Cellulose Deconstruction Reveals the Required Solvent Versatility for Overcoming Biomass Recalcitrance

(2011) Hyung Min Cho et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The solvation structures of cellulose microfibrils in ionic liquids

(2011) Barmak Mostofian et al.   Interdisciplinary Sciences-Computational Life Sciences

Cellulose pretreatment with 1-n-butyl-3-methylimidazolium chloride for solid acid-catalyzed hydrolysis

(2010) Soo-Jin Kim et al.   BIORESOURCE TECHNOLOGY

Reversible swelling of the cell wall of poplar biomass by ionic liquid at room temperature

(2010) Marcel Lucas et al.   BIORESOURCE TECHNOLOGY

Simulation studies of the insolubility of cellulose

(2010) Malin Bergenstråhle et al.   CARBOHYDRATE RESEARCH

Where are ionic liquid strategies most suited in the pursuit of chemicals and energy from lignocellulosic biomass?

(2010) Ning Sun et al.   CHEMICAL COMMUNICATIONS

On the mechanism of dissolution of cellulose

(2010) Björn Lindman et al.   JOURNAL OF MOLECULAR LIQUIDS

On the Molecular Origins of Biomass Recalcitrance: The Interaction Network and Solvation Structures of Cellulose Microfibrils

(2010) Adam S. Gross et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Role of Cation Symmetry in Intermolecular Structure and Dynamics of Room Temperature Ionic Liquids: Simulation Studies

(2010) S. G. Raju et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Understanding the Interactions of Cellulose with Ionic Liquids: A Molecular Dynamics Study

(2010) Hanbin Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Correlations in the Structure and Dynamics of Ionic Liquids

(2009) Angus Gray-Weale   AUSTRALIAN JOURNAL OF CHEMISTRY

The Stability of Cellulose: A Statistical Perspective from a Coarse-Grained Model of Hydrogen-Bond Networks

(2009) Tongye Shen et al.   BIOPHYSICAL JOURNAL

High-throughput screening for ionic liquids dissolving (ligno-)cellulose

(2009) Michael Zavrel et al.   BIORESOURCE TECHNOLOGY

Comparison of dilute acid and ionic liquid pretreatment of switchgrass: Biomass recalcitrance, delignification and enzymatic saccharification

(2009) Chenlin Li et al.   BIORESOURCE TECHNOLOGY

Pretreatment technologies for an efficient bioethanol production process based on enzymatic hydrolysis: A review

(2009) P. Alvira et al.   BIORESOURCE TECHNOLOGY

Sustainable chemistry: imidazolium salts in biomass conversion and CO2fixation

(2009) Yugen Zhang et al.   Energy & Environmental Science

When Sugars Get Wet. A Comprehensive Study of the Behavior of Water on the Surface of Oligosaccharides

(2009) Sai Kumar Ramadugu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Depolymerization of Cellulose Using Solid Catalysts in Ionic Liquids

(2008) Roberto Rinaldi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molecular dynamics simulation of imidazolium-based ionic liquids. I. Dynamics and diffusion coefficient

(2008) M. H. Kowsari et al.   JOURNAL OF CHEMICAL PHYSICS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation