1.0. Introduction 4044 2.0. Biomass Chemistry and Growth Rates 4047 2.1. Lignocellulose and Starch-Based Plants 4047 2.2. Triglyceride-Producing Plants 4049 2.3. Algae 4050 2.4. Terpenes and Rubber-Producing Plants 4052 3.0. Biomass Gasification 4052 3.1. Gasification Chemistry 4052 3.2. Gasification Reactors 4054 3.3. Supercritical Gasification 4054 3.4. Solar Gasification 4055 3.5. Gas Conditioning 4055 4.0. Syn-Gas Utilization 4056 4.1. Hydrogen Production by Water−Gas Shift Reaction 4056

/pdf/synthesis-of-transportation-fuels-from-biomass-chemistry-3sckhzoqoz.pdf

Synthesis of transportation fuels from biomass: chemistry, catalysts, and engineering.

Hydrotalcite-type anionic clays: Preparation, properties and applications.

Successive parameterizations of the GROMOS force field have been used successfully to simulate biomolecular systems over a long period of time. The continuing expansion of computational power with time makes it possible to compute ever more properties for an increasing variety of molecular systems with greater precision. This has led to recurrent parameterizations of the GROMOS force field all aimed at achieving better agreement with experimental data. Here we report the results of the latest, extensive reparameterization of the GROMOS force field. In contrast to the parameterization of other biomolecular force fields, this parameterization of the GROMOS force field is based primarily on reproducing the free enthalpies of hydration and apolar solvation for a range of compounds. This approach was chosen because the relative free enthalpy of solvation between polar and apolar environments is a key property in many biomolecular processes of interest, such as protein folding, biomolecular association, membrane formation, and transport over membranes. The newest parameter sets, 53A5 and 53A6, were optimized by first fitting to reproduce the thermodynamic properties of pure liquids of a range of small polar molecules and the solvation free enthalpies of amino acid analogs in cyclohexane (53A5). The partial charges were then adjusted to reproduce the hydration free enthalpies in water (53A6). Both parameter sets are fully documented, and the differences between these and previous parameter sets are discussed.

/pdf/a-biomolecular-force-field-based-on-the-free-enthalpy-of-1chefjehkc.pdf

A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6.

https://dr.ntu.edu.sg/bitstream/10356/96770/1/30.%20Application%20of%20Layered%20Double%20Hydroxides%20for%20Removal%20of%20Oxyanions.pdf

Application of layered double hydroxides for removal of oxyanions: A review

CATALYTIC CONVERSION OF METHANE TO MORE USEFUL CHEMICALS AND FUELS: A CHALLENGE FOR THE 21st CENTURY

Catalytic synthesis of methanol from COH2: I. Phase composition, electronic properties, and activities of the Cu/ZnO/M2O3 catalysts

Catalytic synthesis of methanol from COH2: IV. The effects of carbon dioxide

Advances in catalytic synthesis and utilization of higher alcohols

Higher alcohol and oxygenate synthesis over cesium-doped Cu/ZnO catalysts

Catalytic synthesis of methanol from COH2: II. Electron microscopy (TEM, STEM, microdiffraction, and energy dispersive analysis) of the CuZnO and Cu/ZnO/Cr2O3 catalysts

Richard G. Herman

Papers

Catalytic synthesis of methanol from COH2: I. Phase composition, electronic properties, and activities of the Cu/ZnO/M2O3 catalysts

Catalytic synthesis of methanol from COH2: IV. The effects of carbon dioxide

Advances in catalytic synthesis and utilization of higher alcohols

Higher alcohol and oxygenate synthesis over cesium-doped Cu/ZnO catalysts

Catalytic synthesis of methanol from COH2: II. Electron microscopy (TEM, STEM, microdiffraction, and energy dispersive analysis) of the CuZnO and Cu/ZnO/Cr2O3 catalysts