Temperature-dependent phase behaviour of tetrahydrofuran–water alters solubilization of xylan to improve co-production of furfurals from lignocellulosic biomass

Organosolv-Water Cosolvent Phase Separation on Cellulose and its Influence on the Physical Deconstruction of Cellulose: A Molecular Dynamics Analysis

(2017) Micholas Dean Smith et al.   Scientific Reports

Cosolvent pretreatment in cellulosic biofuel production: effect of tetrahydrofuran-water on lignin structure and dynamics

(2016) Micholas Dean Smith et al.   GREEN CHEMISTRY

Molecular Driving Forces behind the Tetrahydrofuran–Water Miscibility Gap

(2016) Micholas Dean Smith et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Local Phase Separation of Co-solvents Enhances Pretreatment of Biomass for Bioenergy Applications

(2016) Barmak Mostofian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhanced sampling simulation analysis of the structure of lignin in the THF–water miscibility gap

(2016) Micholas Dean Smith et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Co-solvent Pretreatment Reduces Costly Enzyme Requirements for High Sugar and Ethanol Yields from Lignocellulosic Biomass

(2015) Thanh Yen Nguyen et al.   ChemSusChem

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

(2015) Jumin Lee et al.   Journal of Chemical Theory and Computation

Coupling metal halides with a co-solvent to produce furfural and 5-HMF at high yields directly from lignocellulosic biomass as an integrated biofuels strategy

(2014) Charles M. Cai et al.   GREEN CHEMISTRY

Acid-Catalyzed Conversion of Xylose in 20 Solvents: Insight into Interactions of the Solvents with Xylose, Furfural, and the Acid Catalyst

(2014) Xun Hu et al.   ACS Sustainable Chemistry & Engineering

Degradation mechanism of monosaccharides and xylan under pyrolytic conditions with theoretic modeling on the energy profiles

(2013) Shurong Wang et al.   BIORESOURCE TECHNOLOGY

The fate of lignin during hydrothermal pretreatment

(2013) Heather L Trajano et al.   Biotechnology for Biofuels

Furfural degradation in a dilute acidic and saline solution in the presence of glucose

(2013) B. Danon et al.   CARBOHYDRATE RESEARCH

THF co-solvent enhances hydrocarbon fuel precursor yields from lignocellulosic biomass

(2013) Charles M. Cai et al.   GREEN CHEMISTRY

Mechanistic and kinetic aspects of pentose dehydration towards furfural in aqueous media employing homogeneous catalysis

(2013) Bart Danon et al.   GREEN CHEMISTRY

Advances in 5-hydroxymethylfurfural production from biomass in biphasic solvents

(2013) Basudeb Saha et al.   GREEN CHEMISTRY

Integrated furfural production as a renewable fuel and chemical platform from lignocellulosic biomass

(2013) Charles M Cai et al.   JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY

Advances in conversion of hemicellulosic biomass to furfural and upgrading to biofuels

(2012) Saikat Dutta et al.   Catalysis Science & Technology

Multi-scale visualization and characterization of lignocellulosic plant cell wall deconstruction during thermochemical pretreatment

(2011) Shishir P. S. Chundawat et al.   Energy & Environmental Science

Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5

(2011) Mark J. Abraham et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Kinetics of furfural production by dehydration of xylose in a biphasic reactor with microwave heating

(2010) Ronen Weingarten et al.   GREEN CHEMISTRY

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

(2009) Olgun Guvench et al.   Journal of Chemical Theory and Computation

Loosening Xyloglucan Accelerates the Enzymatic Degradation of Cellulose in Wood

(2009) Rumi Kaida et al.   Molecular Plant

Additive empirical force field for hexopyranose monosaccharides

(2008) Olgun Guvench et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation