Metal/metal oxide catalysts reveal unique CO adsorption and hydrogenation properties in CO electroreduction for the synthesis of chemical fuels. The dispersion of active components on the surface of metal oxide has unique quantum effects, significantly affecting the catalytic activity and selectivity. Catalyst models with 25, 50, and 75% Ag covering on ZrO, denoted as Ag/(ZrO), Ag/(ZrO), and Ag/(ZrO), respectively, were developed and coupled with a detailed investigation of the electronic properties and electroreduction processes from CO into different chemical fuels using density functional theory calculations.
View Article and Find Full Text PDFT3-induced Xenopus metamorphosis is an ideal model for detecting thyroid hormone (TH) signaling disruption of chemicals. To optimize the T3-induced Xenopus assay and improve its sensitivity and reproducibility, we intend to develop quantitatively morphological endpoints and choose appropriate concentrations and exposure durations for T3 induction. Xenopus laevis at stage 52 were exposed to series of concentrations of T3 (0.
View Article and Find Full Text PDFThe study focused on the structural sensitivity of lignin during the phosphoric acid-acetone pretreatment process and the resulting hydrolysis and phosphorylation reaction mechanisms using density functional theory calculations. The chemical stabilities of the seven most common linkages (β-O-4, β-β, 4-O-5, β-1, 5-5, α-O-4, and β-5) of lignin in H3PO4, CH3COCH3, and H2O solutions were detected, which shows that α-O-4 linkage and β-O-4 linkage tend to break during the phosphoric acid-acetone pretreatment process. Then α-O-4 phosphorylation and β-O-4 phosphorylation follow a two-step reaction mechanism in the acid treatment step, respectively.
View Article and Find Full Text PDFBioresour Technol
October 2014
After pretreated by methanogen for 5, 15 and 25 days, corn stalk (CS) were pyrolyzed at 250, 300, 350, 400, 450 and 500 °C by Py-GC/MS and product distribution in bio-oil was analyzed. Results indicated that methanogen pretreatment changed considerably the product distribution: the contents of sugar and phenols increased; the contents of linear carbonyls and furans decreased; the contents of linear ketones and linear acids changed slightly. Methanogen pretreatment improved significantly the pyrolysis selectivity of CS to phenols especially 4-VP.
View Article and Find Full Text PDFThe study investigated the effects of methanogen pretreatment on pyrolysis behaviors of corn stalk (CS) by using Py-GC/MS analysis and thermogravimetric analysis. Results indicated that biopretreatment changed considerably the pyrolysis behaviors of CS from four weight loss stages to two weight loss stages. Increasing biopretreatment time from 5 days to 25 days enhanced the kinds and contents of chemicals in volatile products.
View Article and Find Full Text PDFPhosphoric acid-acetone fractionation was applied to pretreat lignocellulose for production of cellulosic ethanol. Cellulose solubility properties in H(2)O, H(3)PO(4) and CH(3)COCH(3) were simulated. Atomic geometry and electronic properties were computed using density functional theory with local-density approximation.
View Article and Find Full Text PDFWorld J Microbiol Biotechnol
June 2011
Metabolic role of 1,3-propanediol oxidoreductase (PDOR) in the production of 1,3-propanediol (1,3-PDO) with K. pneumonia was investigated by knocking out the coded gene dhaT. Fermentation with both the wide-type and mutant were studied in 5 l fermentor.
View Article and Find Full Text PDF1,3-Propanediol (PDO), is now taking the transition from a traditional "specialty chemical" to a "commodity chemical". The market for PDO is growing rapidly as the technology develops. With the advancing PDO production technology, polytrimethylene terephthalate (PTT) as a new type of polyester has been applied in carpet and textile fibers, monofilaments, films, and nonwoven fabrics, and in the engineering thermoplastics area, because PTT has unique properties compared to other polymers such as polyethylene terephthalate (PET) and polybutylene terephthalate (PBT).
View Article and Find Full Text PDFAppl Microbiol Biotechnol
March 2010
The filtration in 1,3-propanediol (1,3-PD) downstream process is influenced by the large amounts of capsular polysaccharides (CPS) produced by Klebsiella pneumoniae CGMCC 1.6366. The morphological and fermentation properties were investigated with the CPS-deficient mutant K.
View Article and Find Full Text PDFExcretion of 1,3-propanediol (1,3-PD) by K. pneumoniae was compared in ammonium- and phosphate-limited chemostat cultures running with an excess of glycerol. 59 and 43% catabolic flux were directed to 1,3-PD in ammonia-limited cultures and phosphate-limited cultures at dilution rate of 0.
View Article and Find Full Text PDFKlebsiella pneumoniae HR526, a new isolated 1,3-propanediol (1,3-PD) producer, exhibited great productivity. However, the accumulation of lactate in the late-exponential phase remained an obstacle of 1,3-PD industrial scale production. Hereby, mutants lacking D-lactate pathway were constructed by knocking out the ldhA gene encoding fermentative D-lactate dehydrogenase (LDH) of HR526.
View Article and Find Full Text PDFJ Ind Microbiol Biotechnol
December 2008
3-Hydroxypropionaldehyde (3-HPA) is a toxic intermediary metabolite in the biological route of 1,3-propanediol biosynthesis from glycerol. 3-HPA accumulated in culture medium would arouse an irreversible cessation of the fermentation process. The role of substrate (glycerol) on 3-HPA accumulation in aerobic fermentation was investigated in this paper.
View Article and Find Full Text PDFThe glycerol fed-batch fermentation by Klebsiella pneumoniae CGMCC 1.6366 exhibited the sequential synthesis of products, including acetate, 1,3-propanediol (1,3-PD), 2,3-butanediol, ethanol, succinate, and lactate. The dominant flux distribution was shifted from acetate formation to 1,3-PD formation in early- exponential growth phase and then to lactate synthesis in late-exponential growth phase.
View Article and Find Full Text PDFA central composite design was used to study the effect of glycerol, rate of stirring, air aeration and pH on the synthesis of 1,3-propanediol (1,3-PD) by Klebsiella pneumoniae AC 15. Among the four variables, glycerol and rate of stirring significantly affected 1,3-PD productivity, whereas air aeration and pH were not effective. A quadratic polynomial equation was obtained for 1,3-PD productivity by multiple regression analysis using response surface methodology.
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