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A full understanding of all possible elementary reactions applicable to cellulose fast pyrolysis is key to developing a comprehensive kinetic model for fast pyrolysis of cellulose. Since water is an observed product of fast pyrolysis of cellulose, the energetics of the dehydration reactions of cellulose were explored computationally by using density functional theory (DFT). Glucose and cellobiose were selected as the cellulose model compounds. The four water loss mechanisms studied are: Maccoll elimination, Pinacol ring contraction, cyclic Grob fragmentation, and alcohol condensation, some of which have not been considered previously in the literature. Levoglucosan formation via alcohol condensation has the lowest calculated free energy barrier (50.4 kcal mol-1) for glucose dehydration. All other water loss reactions have calculated free energy barriers greater than 60 kcal mol-1. Cellobiose dehydration shows similar trends to those of glucose, suggesting that these reactions are applicable to glucooligosaccharides with higher degrees of polymerization. Secondary reactions of dehydrated glucose and dehydrated cellobiose via retro-Diels Alder and aldol rearrangement mechanisms are also explored computationally. .
This article was published in the following journal.
Name: The journal of physical chemistry. A
Given its capacity to tolerate stress, NAD(P)H/ NAD(P) balance, and increased ATP levels, the platform strain Pseudomonas putida EM42, a genome-edited derivative of the soil bacterium P. putida KT2440...
In this study, a continuous fast microwave-assisted pyrolysis system was developed to produce bio-oil, gas, and biochar from rice straw and Camellia oleifera shell. The effects of different pyrolysis ...
To efficiently ferment intermediate cellodextrins released during cellulose hydrolysis, Saccharomyces cerevisiae has been engineered by introduction of a heterologous cellodextrin utilizing pathway co...
Slow pyrolysis of bamboo was conducted at 400-600 °C and pyrolysis products were characterized with FTIR, BET, XRD, SEM, EDS and GC to establish a pyrolysis product yield prediction model and bioch...
In this study, three torrefaction atmosphere (N, CO and 2 vol% O with N balance) were used to study effects of representative main components of flue gas during torrefaction and subsequent pyrolysis...
Dehydration can result from exposure to harsh environments including hot and dry desert climates. Soldiers and non-military workers are frequently required to work in hot, dry conditions,...
Dehydration is a common phenomenon in judo that can lead to negative performance such as a decline in strength, a decline in anaerobic performance, a reduced body fluid balance, glycogen d...
The study aims to verify the sensitivity and specificity of a tool to assess the state of hydration of the older person to identify those at risk of dehydration.
We want to establish a new model of acute febrile disease by mimicking the conditions seen in hospitalized patients in regards to inflammation, immobilisation and fasting. In this new mode...
The sports medicine literature provides a consensus on what threshold values constitute euhydration (normal body water) using a variety of hydration assessment markers (e.g., blood, urine)...
A disaccharide consisting of two glucose units in beta (1-4) glycosidic linkage. Obtained from the partial hydrolysis of cellulose.
A polysaccharide with glucose units linked as in CELLOBIOSE. It is the chief constituent of plant fibers, cotton being the purest natural form of the substance. As a raw material, it forms the basis for many derivatives used in chromatography, ion exchange materials, explosives manufacturing, and pharmaceutical preparations.
Abnormally rapid heartbeats caused by reentry of atrial impulse into the dual (fast and slow) pathways of ATRIOVENTRICULAR NODE. The common type involves a blocked atrial impulse in the slow pathway which reenters the fast pathway in a retrograde direction and simultaneously conducts to the atria and the ventricles leading to rapid HEART RATE of 150-250 beats per minute.
An enzyme that catalyzes the reversible interconversion of glucose 6-phosphate and fructose 6-phosphate, and is a part of the glycolytic and gluconeogenic pathways. Deficiency of the enzyme, an autosomal recessive trait, results in liver glycogenesis and hemolytic anemia. EC 184.108.40.206.
Maintenance of a constant blood glucose level by perfusion or infusion with glucose or insulin. It is used for the study of metabolic rates (e.g., in glucose, lipid, amino acid metabolism) at constant glucose concentration.