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Sample records for acetone

  1. Acetone poisoning

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/article/002480.htm Acetone poisoning To use the sharing features on this page, please enable JavaScript. Acetone is a chemical used in many household products. ...

  2. Production of acetone and conversion of acetone to acetate in the perfused rat liver

    International Nuclear Information System (INIS)

    Gavino, V.C.; Somma, J.; Philbert, L.; David, F.; Garneau, M.; Belair, J.; Brunengraber, H.

    1987-01-01

    The utilization of millimolar concentrations of [2- 14 C]acetone and the production of acetone from acetoacetate were studied in perfused livers from 48-h starved rats. We devised a procedure for determining, in a perfused liver system, the first-order rate constant for the decarboxylation of acetoacetate (0.29 +/- 0.09 h-1, S.E., n = 8). After perfusion of livers with [2- 14 C]acetone, labeled acetate was isolated from the perfusion medium and characterized as [1- 14 C]acetate. No radioactivity was found in lactate or 3-hydroxybutyrate. After 90 min of perfusion with [2- 14 C]acetone, the specific activity of acetate was 30 +/- 4% (n = 13) of the initial specific activity of acetone. We conclude that, in perfused livers from 2-day starved rats, acetone metabolism occurs for the most part via free acetate

  3. Synthesis of complex compounds in the system [ReOG5]2--thiosemicarbazone acetone-Hg-acetone

    International Nuclear Information System (INIS)

    Amindzhanov, A.A.; Kurbanov, N.M.

    1993-01-01

    Present article is devoted to synthesis of complex compounds in the system [ReOG 5 ] 2- -thiosemicarbazone acetone-Hg-acetone. The literature data on complex compounds of various metals with thiosemicarbazone was summarized. The synthesis of complex compounds in the system [ReOG 5 ] 2- -thiosemicarbazone acetone-Hg-acetone was conducted. The complex compounds of rhenium with methyl ident thiosemicarbazone were synthesized.

  4. Acetone production by methylobacteria.

    Science.gov (United States)

    Thomson, A W; O'Neill, J G; Wilkinson, J F

    1976-09-01

    An accumulation of acetone was observed during the metabolism of ethane and products of ethane oxidation by washed suspensions of Methylosinus trichosporium OB3B. This strain possessed an acetoacetate decarboxylase and 3-hydroxybutyrate dehydrogenase, and a decline in poly-beta-hydroxybutyric acid occurred under the same conditions as acetone formation. A pathway of acetone production from poly-beta-hydroxybutyric acid via 3-hydroxybutyrate and acetoacetate was suggested.

  5. Is breath acetone a biomarker of diabetes? A historical review on breath acetone measurements.

    Science.gov (United States)

    Wang, Zhennan; Wang, Chuji

    2013-09-01

    Since the ancient discovery of the 'sweet odor' in human breath gas, pursuits of the breath analysis-based disease diagnostics have never stopped. Actually, the 'smell' of the breath, as one of three key disease diagnostic techniques, has been used in Eastern-Medicine for more than three thousand years. With advancement of measuring technologies in sensitivity and selectivity, more specific breath gas species have been identified and established as a biomarker of a particular disease. Acetone is one of the breath gases and its concentration in exhaled breath can now be determined with high accuracy using various techniques and methods. With the worldwide prevalence of diabetes that is typically diagnosed through blood testing, human desire to achieve non-blood based diabetic diagnostics and monitoring has never been quenched. Questions, such as is breath acetone a biomarker of diabetes and how is the breath acetone related to the blood glucose (BG) level (the golden criterion currently used in clinic for diabetes diagnostic, monitoring, and management), remain to be answered. A majority of current research efforts in breath acetone measurements and its technology developments focus on addressing the first question. The effort to tackle the second question has begun recently. The earliest breath acetone measurement in clearly defined diabetic patients was reported more than 60 years ago. For more than a half-century, as reviewed in this paper, there have been more than 41 independent studies of breath acetone using various techniques and methods, and more than 3211 human subjects, including 1581 healthy people, 242 Type 1 diabetic patients, 384 Type 2 diabetic patients, 174 unspecified diabetic patients, and 830 non-diabetic patients or healthy subjects who are under various physiological conditions, have been used in the studies. The results of the breath acetone measurements collected in this review support that many conditions might cause changes to breath

  6. 21 CFR 172.802 - Acetone peroxides.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Acetone peroxides. 172.802 Section 172.802 Food and... Multipurpose Additives § 172.802 Acetone peroxides. The food additive acetone peroxides may be safely used in... acetone peroxide, with minor proportions of higher polymers, manufactured by reaction of hydrogen peroxide...

  7. Recycling of acetone by distillation

    International Nuclear Information System (INIS)

    Brennan, D.L.; Campbell, B.A.; Phelan, J.E.; Harper, M.

    1992-09-01

    The Resource Conservation Recovery Act (RCRA) identifies spent acetone solvent as a listed hazardous waste. At Fernald, acetone has been spent that has been contaminated with radionuclides and therefore is identified as a mixed hazardous waste. At the time of this publication there is no available approved method of recycling or disposal of radioactively contaminated spent acetone solvent. The Consent Decree with the Ohio EPA and the Consent Agreement with the United States EPA was agreed upon for the long-term compliant storage of hazardous waste materials. The purpose of this project was to demonstrate the feasibility for safely decontaminating spent acetone to background levels of radioactivity for reuse. It was postulated that through heat distillation, radionuclides could be isolated from the spent acetone

  8. 21 CFR 173.210 - Acetone.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Acetone. 173.210 Section 173.210 Food and Drugs..., Lubricants, Release Agents and Related Substances § 173.210 Acetone. A tolerance of 30 parts per million is established for acetone in spice oleoresins when present therein as a residue from the extraction of spice. ...

  9. Viscosities and refractive indices of binary systems acetone+1-propanol, acetone+1,2-propanediol and acetone+1,3-propanediol

    Directory of Open Access Journals (Sweden)

    Živković Emila M.

    2014-01-01

    Full Text Available Viscosities and refractive indices of three binary systems, acetone+1-propanol, acetone+1,2-propanediol and acetone+1,3-propanediol, were measured at eight temperatures (288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15, 323.15K and at atmospheric pressure. From these data viscosity deviations and deviations in refractive index were calculated and fitted to the Redlich-Kister equation. The viscosity modelling was done by two types of models: predictive UNIFAC-VISCO and ASOG VISCO and correlative Teja-Rice and McAlister equations. The refractive indices of binary mixtures were predicted by various mixing rules and compared with experimental data. [Projekat Ministarstva nauke Republike Srbije, br. 172063

  10. Determination of breath acetone in 149 type 2 diabetic patients using a ringdown breath-acetone analyzer.

    Science.gov (United States)

    Sun, Meixiu; Chen, Zhuying; Gong, Zhiyong; Zhao, Xiaomeng; Jiang, Chenyu; Yuan, Yuan; Wang, Zhennang; Li, Yingxin; Wang, Chuji

    2015-02-01

    Over 90% of diabetic patients have Type 2 diabetes. Although an elevated mean breath acetone concentration has been found to exist in Type 1 diabetes (T1D), information on breath acetone in Type 2 diabetes (T2D) has yet to be obtained. In this study, we first used gas chromatography-mass spectrometry (GC-MS) to validate a ringdown breath-acetone analyzer based on the cavity-ringdown-spectroscopy technique, through comparing breath acetone concentrations in the range 0.5-2.5 ppm measured using both methods. The linear fitting of R = 0.99 suggests that the acetone concentrations obtained using both methods are consistent with a largest standard deviation of ±0.4 ppm in the lowest concentration of the range. Next, 620 breath samples from 149 T2D patients and 42 healthy subjects were collected and tested using the breath analyzer. Four breath samples were taken from each subject under each of four different conditions: fasting, 2 h post-breakfast, 2 h post-lunch, and 2 h post-dinner. Simultaneous blood glucose levels were also measured using a standard diabetic-management blood-glucose meter. For the 149 T2D subjects, their exhaled breath acetone concentrations ranged from 0.1 to 19.8 ppm; four different ranges of breath acetone concentration, 0.1-19.8, 0.1-7.1, 0.1-6.3, and 0.1-9.5 ppm, were obtained for the subjects under the four different conditions, respectively. For the 42 healthy subjects, their breath acetone concentration ranged from 0.1 to 2.6 ppm; four different ranges of breath acetone concentration, 0.3-2.6, 0.1-2.6, 0.1-1.7, and 0.3-1.6 ppm, were obtained for the four different conditions. The mean breath acetone concentration of the 149 T2D subjects was determined to be 1.5 ± 1.5 ppm, which was 1.5 times that of 1.0 ± 0.6 ppm for the 42 healthy subjects. No correlation was found between the breath acetone concentration and the blood glucose level of the T2D subjects and the healthy volunteers. This study using a relatively large number of

  11. Radiation-induced heterogeneous polymerization of acrylamide in acetone and acetone--water mixtures

    International Nuclear Information System (INIS)

    Wada, T.; Sekiya, H.; Machi, S.

    1975-01-01

    The effects of temperature, dose rate, and monomer concentration on the heterogeneous polymerization of acrylamide in acetone--water mixtures have been studied. Heterogeneous polymerization takes place in mixtures containing less than 60 vol-percent water. The polymerization is steady in acetone and nonsteady in mixtures containing 10 to 50 vol-percent water. The average rate of polymerization is highest in mixtures with about 20 vol-percent water. Polymer molecular weight increases with the increasing water content in the range 0 to 10 vol-percent and does not change in the range of 30 to 70 vol-percent water. For the polymerization in acetone and an acetone-water 60/40 mixture, the activation energies are 2.3 and -1.8 kcal/mole, the dose rate exponents of rate are 0.78 and 0.52, and the monomer concentration exponents of rate are 0.5 and 1.6, respectively. The polymer molecular weight increases with decreasing dose rate, decreasing temperature, and increasing monomer concentration. These results are discussed in connection with the mechanism of heterogeneous polymerization and the solvent effect

  12. Rubrene endoperoxide acetone monosolvate

    Directory of Open Access Journals (Sweden)

    Kiyoaki Shinashi

    2012-04-01

    Full Text Available The title acetone solvate, C42H28O2·C3H6O [systematic name: 1,3,10,12-tetraphenyl-19,20-dioxapentacyclo[10.6.2.02,11.04,9.013,18]icosa-2(11,3,5,7,9,13,15,17-octaene acetone monosolvate], is a photooxygenation product of rubrene (systematic name: 5,6,11,12-tetraphenyltetracene. The molecule bends at the bridgehead atoms, which are linked by the O—O transannular bond, with a dihedral angle of 49.21 (6° between the benzene ring and the naphthalene ring system of the tetracene unit. In the crystal, the rubrene molecules are linked by C—H...O hydrogen bonds into a column along the c axis. The acetone solvent molecules form a dimer around a crystallographic inversion centre through a carbonyl–carbonyl dipolar interaction. A C—H...O hydrogen bond between the rubrene and acetone molecules is also observed.

  13. Acetone-based cellulose solvent.

    Science.gov (United States)

    Kostag, Marc; Liebert, Tim; Heinze, Thomas

    2014-08-01

    Acetone containing tetraalkylammonium chloride is found to be an efficient solvent for cellulose. The addition of an amount of 10 mol% (based on acetone) of well-soluble salt triethyloctylammonium chloride (Et3 OctN Cl) adjusts the solvent's properties (increases the polarity) to promote cellulose dissolution. Cellulose solutions in acetone/Et3 OctN Cl have the lowest viscosity reported for comparable aprotic solutions making it a promising system for shaping processes and homogeneous chemical modification of the biopolymer. Recovery of the polymer and recycling of the solvent components can be easily achieved. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Internal catalysis in imine formation from acetone and acetone-d6 and conformationally constrained derivatives of N,N-dimethyl-1,3-propanediamine

    International Nuclear Information System (INIS)

    Hine, J.; Li, W.S.

    1975-01-01

    The kinetics of the reactions of 3-exo-dimethylaminomethyl-2-endo-norbornanamine (1), cis-2-(dimethylaminomethyl)cyclohexylamine (2), and 3-endo-dimethylaminomethyl-2-endo-norbornanamine (3) with acetone, and of these three diamines, neopentylamine, and 2-endo-norbornanamine with acetone-d 6 to give imines were studied at 35 0 and various pH's by use of hydroxylamine to capture the imines as they are formed. Acetone-d 6 was more reactive than acetone in the reactions with hydroxylamine alone as well as in the reactions with each of the diamines; the average k/sup D//k/sup H/ was 1.2. The rate constants for the monoprotonated diamines were so large relative to those for the unprotonated diamines that reliable values for the latter could not be obtained. The dominant reaction mechanism appears to be a reversible formation of the carbinolamine derived from the tertiary-protonated form of the monoprotonated diamine followed by rate-controlling internal acid-catalyzed formation of the iminium ion. The rate constants are compared with those obtained as a by-product of deuterium exchange studies of reactions of 1, 2, 3, and five other monoprotonated diamines by the same mechanism. The comparisons show that structural features that destabilize conformations in which the two amino groups are far apart may decrease the reactivity by relative stabilization []of a cyclic hydrogen-bonded form of the monoprotonated diamine as well as increasing the reactivity by relative stabilization of the transition state. Freezing the H 2 N--C--C--CH 2 NMe 2 dihedral angle of 1,3-diamines at values near 0, 60, and 120 0 does not give large differences in reactivity. Comparison of the rate constants for reactions of unprotonated neopentylamine and 2-endo-norbornanamine with those obtained previously for amines of the type XCH 2 CH 2 NH 2 gives no evidence for steric hindrance. (auth)

  15. Off-line breath acetone analysis in critical illness.

    Science.gov (United States)

    Sturney, S C; Storer, M K; Shaw, G M; Shaw, D E; Epton, M J

    2013-09-01

    Analysis of breath acetone could be useful in the Intensive Care Unit (ICU) setting to monitor evidence of starvation and metabolic stress. The aims of this study were to examine the relationship between acetone concentrations in breath and blood in critical illness, to explore any changes in breath acetone concentration over time and correlate these with clinical features. Consecutive patients, ventilated on controlled modes in a mixed ICU, with stress hyperglycaemia requiring insulin therapy and/or new pulmonary infiltrates on chest radiograph were recruited. Once daily, triplicate end-tidal breath samples were collected and analysed off-line by selected ion flow tube mass spectrometry (SIFT-MS). Thirty-two patients were recruited (20 males), median age 61.5 years (range 26-85 years). The median breath acetone concentration of all samples was 853 ppb (range 162-11 375 ppb) collected over a median of 3 days (range 1-8). There was a trend towards a reduction in breath acetone concentration over time. Relationships were seen between breath acetone and arterial acetone (rs = 0.64, p acetone concentration over time corresponded to changes in arterial acetone concentration. Some patients remained ketotic despite insulin therapy and normal arterial glucose concentrations. This is the first study to look at breath acetone concentration in ICU patients for up to 8 days. Breath acetone concentration may be used as a surrogate for arterial acetone concentration, which may in future have a role in the modulation of insulin and feeding in critical illness.

  16. Enhancing acetone biosynthesis and acetone-butanol-ethanol fermentation performance by co-culturing Clostridium acetobutylicum/Saccharomyces cerevisiae integrated with exogenous acetate addition.

    Science.gov (United States)

    Luo, Hongzhen; Ge, Laibing; Zhang, Jingshu; Ding, Jian; Chen, Rui; Shi, Zhongping

    2016-01-01

    Acetone is the major by-product in ABE fermentations, most researches focused on increasing butanol/acetone ratio by decreasing acetone biosynthesis. However, economics of ABE fermentation industry strongly relies on evaluating acetone as a valuable platform chemical. Therefore, a novel ABE fermentation strategy focusing on bio-acetone production by co-culturing Clostridium acetobutylicum/Saccharomyces cerevisiae with exogenous acetate addition was proposed. Experimental and theoretical analysis revealed the strategy could, enhance C. acetobutylicum survival oriented amino acids assimilation in the cells; control NADH regeneration rate at moderately lower level to enhance acetone synthesis but without sacrificing butanol production; enhance the utilization ability of C. acetobutylicum on glucose and direct most of extra consumed glucose into acetone/butanol synthesis routes. By implementing the strategy using synthetic or acetate fermentative supernatant, acetone concentrations increased to 8.27-8.55g/L from 5.86g/L of the control, while butanol concentrations also elevated to the higher levels of 13.91-14.23g/L from 11.63g/L simultaneously. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. Acetone utilization by sulfate-reducing bacteria: draft genome sequence of Desulfococcus biacutus and a proteomic survey of acetone-inducible proteins.

    Science.gov (United States)

    Gutiérrez Acosta, Olga B; Schleheck, David; Schink, Bernhard

    2014-07-11

    The sulfate-reducing bacterium Desulfococcus biacutus is able to utilize acetone for growth by an inducible degradation pathway that involves a novel activation reaction for acetone with CO as a co-substrate. The mechanism, enzyme(s) and gene(s) involved in this acetone activation reaction are of great interest because they represent a novel and yet undefined type of activation reaction under strictly anoxic conditions. In this study, a draft genome sequence of D. biacutus was established. Sequencing, assembly and annotation resulted in 159 contigs with 5,242,029 base pairs and 4773 predicted genes; 4708 were predicted protein-encoding genes, and 3520 of these had a functional prediction. Proteins and genes were identified that are specifically induced during growth with acetone. A thiamine diphosphate-requiring enzyme appeared to be highly induced during growth with acetone and is probably involved in the activation reaction. Moreover, a coenzyme B12- dependent enzyme and proteins that are involved in redox reactions were also induced during growth with acetone. We present for the first time the genome of a sulfate reducer that is able to grow with acetone. The genome information of this organism represents an important tool for the elucidation of a novel reaction mechanism that is employed by a sulfate reducer in acetone activation.

  18. Portable method of measuring gaseous acetone concentrations.

    Science.gov (United States)

    Worrall, Adam D; Bernstein, Jonathan A; Angelopoulos, Anastasios P

    2013-08-15

    Measurement of acetone in human breath samples has been previously shown to provide significant non-invasive diagnostic insight into the control of a patient's diabetic condition. In patients with diabetes mellitus, the body produces excess amounts of ketones such as acetone, which are then exhaled during respiration. Using various breath analysis methods has allowed for the accurate determination of acetone concentrations in exhaled breath. However, many of these methods require instrumentation and pre-concentration steps not suitable for point-of-care use. We have found that by immobilizing resorcinol reagent into a perfluorosulfonic acid polymer membrane, a controlled organic synthesis reaction occurs with acetone in a dry carrier gas. The immobilized, highly selective product of this reaction (a flavan) is found to produce a visible spectrum color change which could measure acetone concentrations to less than ppm. We here demonstrate how this approach can be used to produce a portable optical sensing device for real-time, non-invasive acetone analysis. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Phage inactivation by triplet acetone

    International Nuclear Information System (INIS)

    Gomes, R.A.

    1985-01-01

    The exposure of lambda phage to triplet acetone is studied. The triplet acetone is obtained from aerobic oxidation of isobutanal catalysed by peroxidase. A decrease of lambda phage ability to infect Escherichia coli is reported, perhaps, partially due to the possible production of lesions in the phage genome. (M.A.C.) [pt

  20. Nitrate-Dependent Degradation of Acetone by Alicycliphilus and Paracoccus Strains and Comparison of Acetone Carboxylase Enzymes ▿

    Science.gov (United States)

    Dullius, Carlos Henrique; Chen, Ching-Yuan; Schink, Bernhard

    2011-01-01

    A novel acetone-degrading, nitrate-reducing bacterium, strain KN Bun08, was isolated from an enrichment culture with butanone and nitrate as the sole sources of carbon and energy. The cells were motile short rods, 0.5 to 1 by 1 to 2 μm in size, which gave Gram-positive staining results in the exponential growth phase and Gram-negative staining results in the stationary-growth phase. Based on 16S rRNA gene sequence analysis, the isolate was assigned to the genus Alicycliphilus. Besides butanone and acetone, the strain used numerous fatty acids as substrates. An ATP-dependent acetone-carboxylating enzyme was enriched from cell extracts of this bacterium and of Alicycliphilus denitrificans K601T by two subsequent DEAE Sepharose column procedures. For comparison, acetone carboxylases were enriched from two additional nitrate-reducing bacterial species, Paracoccus denitrificans and P. pantotrophus. The products of the carboxylase reaction were acetoacetate and AMP rather than ADP. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) analysis of cell extracts and of the various enzyme preparations revealed bands corresponding to molecular masses of 85, 78, and 20 kDa, suggesting similarities to the acetone carboxylase enzymes described in detail for the aerobic bacterium Xanthobacter autotrophicus strain Py2 (85.3, 78.3, and 19.6 kDa) and the phototrophic bacterium Rhodobacter capsulatus. Protein bands were excised and compared by mass spectrometry with those of acetone carboxylases of aerobic bacteria. The results document the finding that the nitrate-reducing bacteria studied here use acetone-carboxylating enzymes similar to those of aerobic and phototrophic bacteria. PMID:21841031

  1. Fate of acetone in water

    Science.gov (United States)

    Rathbun, R.E.; Stephens, D.W.; Shultz, D.J.

    1982-01-01

    The physical, chemical, and biological processes that might affect the concentration of acetone in water were investigated in laboratory studies. Processes considered included volatilization, adsorption by sediments, photodecomposition, bacterial degradation, and absorption by algae and molds. It was concluded that volatilization and bacterial degradation were the dominant processes determining the fate of acetone in streams and rivers. ?? 1982.

  2. Quantitative Clinical Diagnostic Analysis of Acetone in Human Blood by HPLC: A Metabolomic Search for Acetone as Indicator

    Directory of Open Access Journals (Sweden)

    Esin Akgul Kalkan

    2016-01-01

    Full Text Available Using high-performance liquid chromatography (HPLC and 2,4-dinitrophenylhydrazine (2,4-DNPH as a derivatizing reagent, an analytical method was developed for the quantitative determination of acetone in human blood. The determination was carried out at 365 nm using an ultraviolet-visible (UV-Vis diode array detector (DAD. For acetone as its 2,4-dinitrophenylhydrazone derivative, a good separation was achieved with a ThermoAcclaim C18 column (15 cm × 4.6 mm × 3 μm at retention time (tR 12.10 min and flowrate of 1 mL min−1 using a (methanol/acetonitrile water elution gradient. The methodology is simple, rapid, sensitive, and of low cost, exhibits good reproducibility, and allows the analysis of acetone in biological fluids. A calibration curve was obtained for acetone using its standard solutions in acetonitrile. Quantitative analysis of acetone in human blood was successfully carried out using this calibration graph. The applied method was validated in parameters of linearity, limit of detection and quantification, accuracy, and precision. We also present acetone as a useful tool for the HPLC-based metabolomic investigation of endogenous metabolism and quantitative clinical diagnostic analysis.

  3. Marine Vibrio Species Produce the Volatile Organic Compound Acetone

    OpenAIRE

    Nemecek-Marshall, M.; Wojciechowski, C.; Kuzma, J.; Silver, G. M.; Fall, R.

    1995-01-01

    While screening aerobic, heterotrophic marine bacteria for production of volatile organic compounds, we found that a group of isolates produced substantial amounts of acetone. Acetone production was confirmed by gas chromatography, gas chromatography-mass spectrometry, and high-performance liquid chromatography. The major acetone producers were identified as nonclinical Vibrio species. Acetone production was maximal in the stationary phase of growth and was stimulated by addition of l-leucine...

  4. Measuring breath acetone for monitoring fat loss: Review.

    Science.gov (United States)

    Anderson, Joseph C

    2015-12-01

    Endogenous acetone production is a by-product of the fat metabolism process. Because of its small size, acetone appears in exhaled breath. Historically, endogenous acetone has been measured in exhaled breath to monitor ketosis in healthy and diabetic subjects. Recently, breath acetone concentration (BrAce) has been shown to correlate with the rate of fat loss in healthy individuals. In this review, the measurement of breath acetone in healthy subjects is evaluated for its utility in predicting fat loss and its sensitivity to changes in physiologic parameters. BrAce can range from 1 ppm in healthy non-dieting subjects to 1,250 ppm in diabetic ketoacidosis. A strong correlation exists between increased BrAce and the rate of fat loss. Multiple metabolic and respiratory factors affect the measurement of BrAce. BrAce is most affected by changes in the following factors (in descending order): dietary macronutrient composition, caloric restriction, exercise, pulmonary factors, and other assorted factors that increase fat metabolism or inhibit acetone metabolism. Pulmonary factors affecting acetone exchange in the lung should be controlled to optimize the breath sample for measurement. When biologic factors are controlled, BrAce measurement provides a non-invasive tool for monitoring the rate of fat loss in healthy subjects. © 2015 The Authors Obesity published by Wiley Periodicals, Inc. on behalf of The Obesity Society (TOS).

  5. Comparison studies of surface cleaning methods for PAN-based carbon fibers with acetone, supercritical acetone and subcritical alkali aqueous solutions

    International Nuclear Information System (INIS)

    Meng Linghui; Fan Dapeng; Huang Yudong; Jiang Zaixing; Zhang Chunhua

    2012-01-01

    Highlights: ► Cleaning with supercritical acetone is appropriate to wipe off the oxygenated contaminants. ► Cleaning with supercritical acetone causes smaller damage to bulk strength of carbon fibers. ► Cleaning with subcritical alkali aqueous solution can thoroughly remove silicious contaminants. - Abstract: Four kinds of polyacrylonitrile-based carbon fibers were cleaned by three methods and were characterized by X-ray photoelectron spectroscopy, monofilament tensile strength test and atomic force microscopy (AFM). Experimental results of these tests reveal that the method using supercritical acetone or subcritical potassium hydroxide aqueous solution act as the processing medium shows a better cleaning effect compared to the traditional method, Soxhlet extraction with acetone. The method using supercritical acetone is more appropriate to wipe off the oxygenated contaminants on carbon fibers’ surfaces and causes a relatively smaller damage to the bulk strength of each carbon fiber. As far as treating method using the subcritical alkali aqueous solution, it can thoroughly remove silicious contaminants on the surfaces of treated fibers.

  6. Surface tension anomalies in room temperature ionic liquids-acetone solutions

    Science.gov (United States)

    Abe, Hiroshi; Murata, Keisuke; Kiyokawa, Shota; Yoshimura, Yukihiro

    2018-05-01

    Surface tension anomalies were observed in room temperature ionic liquid (RTIL)-acetone solutions. The RTILs are 1-alkyl-3-methylimidazorium iodide with [Cnmim][I] in a [Cnmim][I]-x mol% acetone. The maximum value of the surface tension appeared at 40 mol% acetone, although density decreased monotonically with an increase in acetone concentration. A small alkyl chain length effect of the Cnmim+ cations was observed in the surface tension. By the Gibbs adsorption isotherm, it was found that I- anion-mediated surface structure became dominant above 40 mol%. In the different [Cnmim][TFSI]-acetone mixtures, normal decay of the surface tension was observed on the acetone concentration scale, where TFSI- is bis(trifluoromethanesulfonyl)imide.

  7. Acetone utilization by sulfate-reducing bacteria: draft genome sequence of Desulfococcus biacutus and a proteomic survey of acetone-inducible proteins

    OpenAIRE

    Gutiérrez Acosta, Olga B; Schleheck, David; Schink, Bernhard

    2014-01-01

    Background The sulfate-reducing bacterium Desulfococcus biacutus is able to utilize acetone for growth by an inducible degradation pathway that involves a novel activation reaction for acetone with CO as a co-substrate. The mechanism, enzyme(s) and gene(s) involved in this acetone activation reaction are of great interest because they represent a novel and yet undefined type of activation reaction under strictly anoxic conditions. Results In this study, a draft genome sequence of D. biacutus ...

  8. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Acetone cyanohydrin or lactonitrile solutions. 153.1035... Special Cargo Procedures § 153.1035 Acetone cyanohydrin or lactonitrile solutions. No person may operate a tankship carrying a cargo of acetone cyanohydrin or lactonitrile solutions, unless that cargo is stabilized...

  9. Acetone n-radical cation internal rotation spectrum: The torsional potential surface

    International Nuclear Information System (INIS)

    Shea, Dana A.; Goodman, Lionel; White, Michael G.

    2000-01-01

    The one color REMPI and two color ZEKE-PFI spectra of acetone-d 3 have been recorded. The 3p x Rydberg state of acetone-d 3 lies at 59 362.3 cm-1 and both of the torsional modes are visible in this spectrum. The antigearing Rydberg (a 2 ) mode, v 12 * , has a frequency of 62.5 cm-1, while the previously unobserved gearing (b 1 ) mode, v 17 * , is found at 119.1 cm-1. An ionization potential of 78 299.6 cm-1 for acetone-d 3 has been measured. In acetone-d 3 n-radical cation ground state, the fundamentals of both of the torsional modes have been observed, v 12 + at 51.0 cm-1 and v 17 + at 110.4 cm-1, while the first overtone of v 12 + has been measured at 122.4 cm-1. Deuterium shifts show that v 12 + behaves like a local C 3v rotor, but that v 17 + is canonical. Combining this data with that for acetone-d 0 and aacetone-d 6 has allowed us to fit the observed frequencies to a torsional potential energy surface based on an ab initio C 2v cation ground state geometry. This potential energy surface allows for prediction of the v 17 vibration in acetone-d 0 and acetone-d 6 . The barrier to synchronous rotation is higher in the cation ground state than in the neutral ground state, but significantly lower than in the 3s Rydberg state. The 3p x Rydberg and cation ground state potential energy surfaces are found to be very similar to each other, strongly supporting the contention that the 3p x Rydberg state has C 2v geometry and is a good model for the ion core. The altered 3s Rydberg state potential surface suggests this state has significant valence character. (c) 2000 American Institute of Physics

  10. Proteomic analysis of nitrate-dependent acetone degradation by Alicycliphilus denitrificans strain BC.

    Science.gov (United States)

    Oosterkamp, Margreet J; Boeren, Sjef; Atashgahi, Siavash; Plugge, Caroline M; Schaap, Peter J; Stams, Alfons J M

    2015-06-01

    Alicycliphilus denitrificans strain BC grows anaerobically on acetone with nitrate as electron acceptor. Comparative proteomics of cultures of A. denitrificans strain BC grown on either acetone or acetate with nitrate was performed to study the enzymes involved in the acetone degradation pathway. In the proposed acetone degradation pathway, an acetone carboxylase converts acetone to acetoacetate, an AMP-dependent synthetase/ligase converts acetoacetate to acetoacetyl-CoA, and an acetyl-CoA acetyltransferase cleaves acetoacetyl-CoA to two acetyl-CoA. We also found a putative aldehyde dehydrogenase associated with acetone degradation. This enzyme functioned as a β-hydroxybutyrate dehydrogenase catalyzing the conversion of surplus acetoacetate to β-hydroxybutyrate that may be converted to the energy and carbon storage compound, poly-β-hydroxybutyrate. Accordingly, we confirmed the formation of poly-β-hydroxybutyrate in acetone-grown cells of strain BC. Our findings provide insight in nitrate-dependent acetone degradation that is activated by carboxylation of acetone. This will aid studies of similar pathways found in other microorganisms degrading acetone with nitrate or sulfate as electron acceptor. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  11. Toward Portable Breath Acetone Analysis for Diabetes Detection

    Science.gov (United States)

    Righettoni, Marco; Tricoli, Antonio

    2013-01-01

    Diabetes is a lifelong condition that may cause death and seriously affects the quality of life of a rapidly growing number of individuals. Acetone is a selective breath marker for diabetes that may contribute to the monitoring of related metabolic disorder and thus simplify the management of this illness. Here, the overall performance of Si-doped WO3 nanoparticles made by flame spray pyrolysis as portable acetone detectors is critically reviewed focusing on the requirements for medical diagnostic. The effect of flow rate, chamber volume and acetone dissociation within the measuring chamber are discussed with respect to the calibration of the sensor response. The challenges for the fabrication of portable breath acetone sensors based on chemo-resistive detectors are underlined indicating possible solutions and novel research directions. PMID:21828897

  12. Acetone in the atmosphere: Distribution, sources, and sinks

    Science.gov (United States)

    Singh, H. B.; O'Hara, D.; Herlth, D.; Sachse, W.; Blake, D. R.; Bradshaw, J. D.; Kanakidou, M.; Crutzen, P. J.

    1994-01-01

    Acetone (CH3COCH3) was found to be the dominant nonmethane organic species present in the atmosphere sampled primarily over eastern Canada (0-6 km, 35 deg-65 deg N) during ABLE3B (July to August 1990). A concentration range of 357 to 2310 ppt (= 10(exp -12) v/v) with a mean value of 1140 +/- 413 ppt was measured. Under extremely clean conditions, generally involving Arctic flows, lowest (background) mixing ratios of 550 +/- 100 ppt were present in much of the troposphere studied. Correlations between atmospheric mixing ratios of acetone and select species such as C2H2, CO, C3H8, C2Cl4 and isoprene provided important clues to its possible sources and to the causes of its atmospheric variability. Biomass burning as a source of acetone has been identified for the first time. By using atmospheric data and three-dimensional photochemical models, a global acetone source of 40-60 Tg (= 10(exp 12) g)/yr is estimated to be present. Secondary formation from the atmospheric oxidation of precursor hydrocarbons (principally propane, isobutane, and isobutene) provides the single largest source (51%). The remainder is attributable to biomass burning (26%), direct biogenic emissions (21%), and primary anthropogenic emissions (3%). Atmospheric removal of acetone is estimated to be due to photolysis (64%), reaction with OH radicals (24%), and deposition (12%). Model calculations also suggest that acetone photolysis contributed significantly to PAN formation (100-200 ppt) in the middle and upper troposphere of the sampled region and may be important globally. While the source-sink equation appears to be roughly balanced, much more atmospheric and source data, especially from the southern hemisphere, are needed to reliably quantify the atmospheric budget of acetone.

  13. Breath acetone as a potential marker in clinical practice.

    Science.gov (United States)

    Ruzsányi, Veronika; Péter Kalapos, Miklós

    2017-06-01

    In recent decades, two facts have changed the opinion of researchers about the function of acetone in humans. Firstly, it has turned out that acetone cannot be regarded as simply a waste product of metabolism, because there are several pathways in which acetone is produced or broken down. Secondly, methods have emerged making possible its detection in exhaled breath, thereby offering an attractive alternative to investigation of blood and urine samples. From a clinical point of view the measurement of breath acetone levels is important, but there are limitations to its wide application. These limitations can be divided into two classes, technical and biological limits. The technical limits include the storage of samples, detection threshold, standardization of clinical settings, and the price of instruments. When considering the biological ranges of acetone, personal factors such as race, age, gender, weight, food consumption, medication, illicit drugs, and even profession/class have to be taken into account to use concentration information for disorders. In some diseases such as diabetes mellitus and lung cancer, as well as in nutrition-related behavior such as starvation and ketogenic diet, breath acetone has been extensively examined. At the same time, there is a lack of investigations in other cases in which ketosis is also evident, such as in alcoholism or an inborn error of metabolism. In summary, the detection of acetone in exhaled breath is a useful and promising tool for diagnosis and it can be used as a marker to follow the effectiveness of treatments in some disorders. However, further endeavors are needed for clarification of the exact distribution of acetone in different body compartments and evaluation of its complex role in humans, especially in those cases in which a ketotic state also occurs.

  14. Maximizing recovery of water-soluble proteins through acetone precipitation.

    Science.gov (United States)

    Crowell, Andrew M J; Wall, Mark J; Doucette, Alan A

    2013-09-24

    Solvent precipitation is commonly used to purify protein samples, as seen with the removal of sodium dodecyl sulfate through acetone precipitation. However, in its current practice, protein loss is believed to be an inevitable consequence of acetone precipitation. We herein provide an in depth characterization of protein recovery through acetone precipitation. In 80% acetone, the precipitation efficiency for six of 10 protein standards was poor (ca. ≤15%). Poor recovery was also observed for proteome extracts, including bacterial and mammalian cells. As shown in this work, increasing the ionic strength of the solution dramatically improves the precipitation efficiency of individual proteins, and proteome mixtures (ca. 80-100% yield). This is obtained by including 1-30 mM NaCl, together with acetone (50-80%) which maximizes protein precipitation efficiency. The amount of salt required to restore the recovery correlates with the amount of protein in the sample, as well as the intrinsic protein charge, and the dielectric strength of the solution. This synergistic approach to protein precipitation in acetone with salt is consistent with a model of ion pairing in organic solvent, and establishes an improved method to recover proteins and proteome mixtures in high yield. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Effects of humus on acetone-butanol fermentations

    Energy Technology Data Exchange (ETDEWEB)

    Kovats, J

    1963-01-01

    Adding 6 to 8 g humus-rich soil dried at 80/sup 0/ to 100 cc sterilized molasses, containing 3.8 sucrose and 0.1% (NH/sub 4/)/sub 2/HPO/sub 4/, inoculated with acetone-butanol fermentative bacteria, increased acetone, butanol, and ethanol yields by 30, 50, and 40%, respectively. The acetone-to-butanol ratio increased from 1.85 to 2.1-2.3 in low and 2.6-2.8 in high sucrose-molasses concentrations. Yields of total organic solvents increased from 25 to 36-8% of the sucrose present. Inorganic salts from ashed humus soils were only 10 to 20% less effective in enhancing fermentation than the whole soil. It is postulated that the fermentation is enhanced by trace elements present in the soil.

  16. Breath acetone concentration; biological variability and the influence of diet

    International Nuclear Information System (INIS)

    Španěl, Patrik; Dryahina, Kseniya; Rejšková, Alžběta; Chippendale, Thomas W E; Smith, David

    2011-01-01

    Previous measurements of acetone concentrations in the exhaled breath of healthy individuals and the small amount of comparable data for individuals suffering from diabetes are briefly reviewed as a prelude to the presentation of new data on the sporadic and wide variations of breath acetone that occur in ostensibly healthy individuals. Data are also presented which show that following a ketogenic diet taken by eight healthy individuals their breath acetone concentrations increased up to five times over the subsequent 6 h. Similarly, the breath acetone increased six and nine times when a low carbohydrate diet was taken by two volunteers and remained high for the several days for which the diet was continued. These new data, together with the previous data, clearly indicate that diet and natural intra-individual biological and diurnal variability result in wide variations in breath acetone concentration. This places an uncertainty in the use of breath acetone alone to monitor blood glucose and glycaemic control, except and unless the individual acts as their own control and is cognizant of the need for dietary control. (note)

  17. Activation of Acetone and Other Simple Ketones in Anaerobic Bacteria.

    Science.gov (United States)

    Heider, Johann; Schühle, Karola; Frey, Jasmin; Schink, Bernhard

    2016-01-01

    Acetone and other ketones are activated for subsequent degradation through carboxylation by many nitrate-reducing, phototrophic, and obligately aerobic bacteria. Acetone carboxylation leads to acetoacetate, which is subsequently activated to a thioester and degraded via thiolysis. Two different types of acetone carboxylases have been described, which require either 2 or 4 ATP equivalents as an energy supply for the carboxylation reaction. Both enzymes appear to combine acetone enolphosphate with carbonic phosphate to form acetoacetate. A similar but more complex enzyme is known to carboxylate the aromatic ketone acetophenone, a metabolic intermediate in anaerobic ethylbenzene metabolism in denitrifying bacteria, with simultaneous hydrolysis of 2 ATP to 2 ADP. Obligately anaerobic sulfate-reducing bacteria activate acetone to a four-carbon compound as well, but via a different process than bicarbonate- or CO2-dependent carboxylation. The present evidence indicates that either carbon monoxide or a formyl residue is used as a cosubstrate, and that the overall ATP expenditure of this pathway is substantially lower than in the known acetone carboxylase reactions. © 2016 S. Karger AG, Basel.

  18. The effects of inhaled acetone on place conditioning in adolescent rats.

    Science.gov (United States)

    Lee, Dianne E; Pai, Jennifer; Mullapudui, Uma; Alexoff, David L; Ferrieri, Richard; Dewey, Stephen L

    2008-03-01

    Acetone is an ubiquitous ingredient in many household products (e.g., glue solvents, air fresheners, adhesives, nail polish, and paint) that is putatively abused; however, there is little empirical evidence to suggest that acetone alone has any abuse liability. Therefore, we systematically investigated the conditioned response to inhaled acetone in a place conditioning apparatus. Three groups of male, Sprague-Dawley rats were exposed to acetone concentrations of 5000, 10,000 or 20,000 ppm for 1 h in a conditioned place preference apparatus alternating with air for 6 pairing sessions. A place preference test ensued in an acetone-free environment. To test the preference of acetone as a function of pairings sessions, the 10,000 ppm group received an additional 6 pairings and an additional group received 3 pairings. The control group received air in both compartments. Locomotor activity was recorded by infrared photocells during each pairing session. We noted a dose response relationship to acetone at levels 5000-20,000 ppm. However, there was no correlation of place preference as a function of pairing sessions at the 10,000 ppm level. Locomotor activity was markedly decreased in animals on acetone-paired days as compared to air-paired days. The acetone concentrations we tested for these experiments produced a markedly decreased locomotor activity profile that resemble CNS depressants. Furthermore, a dose response relationship was observed at these pharmacologically active concentrations, however, animals did not exhibit a positive place preference.

  19. The effects of inhaled acetone on place conditioning in adolescent rats

    Science.gov (United States)

    Lee, Dianne E.; Pai, Jennifer; Mullapudui, Uma; Alexoff, David L.; Ferrieri, Richard; Dewey, Stephen L.

    2009-01-01

    Introduction Acetone is a ubiquitous ingredient in many household products (e.g., glue solvents, air fresheners, adhesives, nail polish, and paint) that is putatively abused; however, there is little empirical evidence to suggest that acetone alone has any abuse liability. Therefore, we systematically investigated the conditioned response to inhaled acetone in a place conditioning apparatus. Method Three groups of male, Sprague-Dawley rats were exposed to acetone concentrations of 5,000, 10,000 or 20,000 ppm for 1 hour in a conditioned place preference apparatus alternating with air for 6 pairing sessions. A place preference test ensued in an acetone-free environment. To test the preference of acetone as a function of pairings sessions, the 10,000 ppm group received an additional 6 pairings and an additional group received 3 pairings. The control group received air in both compartments. Locomotor activity was recorded by infrared photocells during each pairing session. Results We noted a dose response relationship to acetone at levels 5,000-20,000 ppm. However, there was no correlation of place preference as a function of pairing sessions at the 10,000 ppm level. Locomotor activity was markedly decreased in animals on acetone-paired days as compared to air-paired days. Conclusion The acetone concentrations we tested for these experiments produced a markedly decreased locomotor activity profile that resemble CNS depressants. Furthermore, a dose response relationship was observed at these pharmacologically active concentrations, however, animals did not exhibit a positive place preference. PMID:18096214

  20. [Adsorption characteristics of acetone and butanone onto honeycomb ZSM-5 molecular sieve].

    Science.gov (United States)

    Du, Juan; Luan, Zhi-Qiang; Xie, Qiang; Ye, Ping-Wei; Li, Kai; Wang, Xi-Qin

    2013-12-01

    Adsorption capacity of acetone and acetone-butanone mixture onto honeycomb ZSM-5 molecular sieve was measured in this paper, and the influences of relative humidity, initial adsorbate concentration and airflow velocity on the adsorption process were investigated. Besides, adsorption performance parameters were calculated by Wheeler's equation. The results showed that relative humidity had no obvious influence on the acetone adsorption performance, which suggests that this material has good hydrophobic ability; in the low concentration range, the dynamic saturated adsorption capacity of acetone increased with the increase of initial concentration, but in the occasion of high concentration of acetone gas (more than 9 mg x L(-1)), the dynamic saturated adsorption capacity maintained at a certain level and did not vary with the increase of initial concentration; the increase of air flow velocity resulted in significant increase of acetone adsorption rate constant, at the same time the critical layer thickness of the adsorbent bed also increased significantly. In the cases of acetone-butanone mixture, the adsorption capacity of butanone onto ZSM-5 was clearly higher than that of acetone.

  1. Purification and characterization of acetone carboxylase from Xanthobacter strain Py2

    OpenAIRE

    Sluis, Miriam K.; Ensign, Scott A.

    1997-01-01

    Acetone metabolism in the aerobic bacterium Xanthobacter strain Py2 proceeds by a carboxylation reaction forming acetoacetate as the first detectable product. In this study, acetone carboxylase, the enzyme catalyzing this reaction, has been purified to homogeneity and characterized. Acetone carboxylase was comprised of three polypeptides with molecular weights of 85,300, 78,300, and 19,600 arranged in an α2β2γ2 quaternary structure. The carboxylation of acetone was coupled to the hydrolysis o...

  2. trans-Carbonylchloridobis(tri-p-tolylphosphinerhodium(I acetone solvate

    Directory of Open Access Journals (Sweden)

    Brian R. James

    2008-03-01

    Full Text Available The title compound, [RhCl(C21H21P2(CO]·C3H6O, was precipitated in trace yield from a reaction of RhCl(cod(THP with P(p-tol3 in a 1:1 acetone-d6/CD3OD solution under a hydrogen atmosphere [p-tol = p-tolyl, THP = tris(hydroxymethylphosphine, P(CH2OH3, and cod = 1,5-cyclooctadiene]. The complex displays a square-planar geometry around the RhI atom. The complex molecules and the acetone molecules are linked into a chain along the a axis by intermolecular C—H...Cl and C—H...O hydrogen bonds.

  3. Acetone and Water on TiO(110): H/D Exchange

    International Nuclear Information System (INIS)

    Henderson, Michael A.

    2005-01-01

    Isotopic H/D exchange between coadsorbed acetone and water on the TiO(110) surface was examined using temperature programmed desorption (TPD) as a function of coverage and two surface pretreatments (oxidation and reduction). Coadsorbed acetone and water interact repulsively on reduced TiO(110) based on results from the companion paper to this study, with water exerting a greater influence in destabilizing acetone and acetone having only a nominal influence on water. Despite the repulsive interaction between these coadsorbates, about 0.02 ML of a 1 ML d6-acetone on the reduced surface exhibits H/D exchange with coadsorbed water, with the exchange occurring exclusively in the high temperature region of the d?-acetone TPD spectrum at ∼340 K. The effect was confirmed with combinations of d?-acetone and D?O. The extent of exchange decreased on the reduced surface with water coverages above ∼0.3 ML due to the ability of water to displace coadsorbed acetone from first layer sites to the multilayer. In contrast, the extent of exchange increased by a factor of 3 when the surface was pre-oxidized prior to coadsorption. In this case, there was no evidence for the negative influence of high water coverages on the extent of H/D exchange. Comparison of the TPD spectra from the exchange products (either d?- or d?-acetone depending on the coadsorption pairing) suggests that, in addition to the 340 K exchange process seen on the reduced surface, a second exchange process was observed on the oxidized surface at ∼390 K. In both cases (oxidized and reduced), desorption of the H/D exchange products appeared to be reaction limited and to involve the influence of OH/OD groups (or water formed during recombinative desorption of OH/OD groups) instead of molecularly adsorbed water. The 340 K exchange process is assigned to reaction at step sites and the 390 K exchange process is attributed to the influence of oxygen adatoms deposited during surface oxidation. The H/D exchange

  4. Acetone Formation in the Vibrio Family: a New Pathway for Bacterial Leucine Catabolism

    Science.gov (United States)

    Nemecek-Marshall, Michele; Wojciechowski, Cheryl; Wagner, William P.; Fall, Ray

    1999-01-01

    There is current interest in biological sources of acetone, a volatile organic compound that impacts atmospheric chemistry. Here, we determined that leucine-dependent acetone formation is widespread in the Vibrionaceae. Sixteen Vibrio isolates, two Listonella species, and two Photobacterium angustum isolates produced acetone in the presence of l-leucine. Shewanella isolates produced much less acetone. Growth of Vibrio splendidus and P. angustum in a fermentor with controlled aeration revealed that acetone was produced after a lag in late logarithmic or stationary phase of growth, depending on the medium, and was not derived from acetoacetate by nonenzymatic decarboxylation in the medium. l-Leucine, but not d-leucine, was converted to acetone with a stoichiometry of approximately 0.61 mol of acetone per mol of l-leucine. Testing various potential leucine catabolites as precursors of acetone showed that only α-ketoisocaproate was efficiently converted by whole cells to acetone. Acetone production was blocked by a nitrogen atmosphere but not by electron transport inhibitors, suggesting that an oxygen-dependent reaction is required for leucine catabolism. Metabolic labeling with deuterated (isopropyl-d7)-l-leucine revealed that the isopropyl carbons give rise to acetone with full retention of deuterium in each methyl group. These results suggest the operation of a new catabolic pathway for leucine in vibrios that is distinct from the 3-hydroxy-3-methylglutaryl-coenzyme A pathway seen in pseudomonads. PMID:10601206

  5. Apparatus and method for monitoring breath acetone and diabetic diagnostics

    Science.gov (United States)

    Duan, Yixiang [Los Alamos, NM; Cao, Wenqing [Los Alamos, NM

    2008-08-26

    An apparatus and method for monitoring diabetes through breath acetone detection and quantitation employs a microplasma source in combination with a spectrometer. The microplasma source provides sufficient energy to produce excited acetone fragments from the breath gas that emit light. The emitted light is sent to the spectrometer, which generates an emission spectrum that is used to detect and quantify acetone in the breath gas.

  6. Laser-induced fluorescence imaging of acetone inside evaporating and burning fuel droplets

    Science.gov (United States)

    Shringi, D. S.; Shaw, B. D.; Dwyer, H. A.

    2009-01-01

    Laser-induced fluorescence was used to visualize acetone fields inside individual droplets of pure acetone as well as droplets composed of methanol or 1-propanol initially mixed with acetone. Droplets were supported on a horizontal wire and two vaporization conditions were investigated: (1) slow evaporation in room air and (2) droplet combustion, which leads to substantially faster droplet surface regression rates. Acetone was preferentially gasified, causing its concentration in droplets to drop in time with resultant decreases in acetone fluorescence intensities. Slowly vaporizing droplets did not exhibit large spatial variations of fluorescence within droplets, indicating that these droplets were relatively well mixed. Ignition of droplets led to significant variations in fluorescence intensities within droplets, indicating that these droplets were not well mixed. Ignited droplets composed of mixtures of 1-propanol and acetone showed large time-varying changes in shapes for higher acetone concentrations, suggesting that bubble formation was occurring in these droplets.

  7. An engineered non-oxidative glycolysis pathway for acetone production in Escherichia coli.

    Science.gov (United States)

    Yang, Xiaoyan; Yuan, Qianqian; Zheng, Yangyang; Ma, Hongwu; Chen, Tao; Zhao, Xueming

    2016-08-01

    To find new metabolic engineering strategies to improve the yield of acetone in Escherichia coli. Results of flux balance analysis from a modified Escherichia coli genome-scale metabolic network suggested that the introduction of a non-oxidative glycolysis (NOG) pathway would improve the theoretical acetone yield from 1 to 1.5 mol acetone/mol glucose. By inserting the fxpk gene encoding phosphoketolase from Bifidobacterium adolescentis into the genome, we constructed a NOG pathway in E.coli. The resulting strain produced 47 mM acetone from glucose under aerobic conditions in shake-flasks. The yield of acetone was improved from 0.38 to 0.47 mol acetone/mol glucose which is a significant over the parent strain. Guided by computational analysis of metabolic networks, we introduced a NOG pathway into E. coli and increased the yield of acetone, which demonstrates the importance of modeling analysis for the novel metabolic engineering strategies.

  8. Acetone production with metabolically engineered strains of Acetobacterium woodii.

    Science.gov (United States)

    Hoffmeister, Sabrina; Gerdom, Marzena; Bengelsdorf, Frank R; Linder, Sonja; Flüchter, Sebastian; Öztürk, Hatice; Blümke, Wilfried; May, Antje; Fischer, Ralf-Jörg; Bahl, Hubert; Dürre, Peter

    2016-07-01

    Expected depletion of oil and fossil resources urges the development of new alternative routes for the production of bulk chemicals and fuels beyond petroleum resources. In this study, the clostridial acetone pathway was used for the formation of acetone in the acetogenic bacterium Acetobacterium woodii. The acetone production operon (APO) containing the genes thlA (encoding thiolase A), ctfA/ctfB (encoding CoA transferase), and adc (encoding acetoacetate decarboxylase) from Clostridium acetobutylicum were cloned under the control of the thlA promoter into four vectors having different replicons for Gram-positives (pIP404, pBP1, pCB102, and pCD6). Stable replication was observed for all constructs. A. woodii [pJIR_actthlA] achieved the maximal acetone concentration under autotrophic conditions (15.2±3.4mM). Promoter sequences of the genes ackA from A. woodii and pta-ack from C. ljungdahlii were determined by primer extension (PEX) and cloned upstream of the APO. The highest acetone production in recombinant A. woodii cells was achieved using the promoters PthlA and Ppta-ack. Batch fermentations using A. woodii [pMTL84151_actthlA] in a bioreactor revealed that acetate concentration had an effect on the acetone production, due to the high Km value of the CoA transferase. In order to establish consistent acetate concentration within the bioreactor and to increase biomass, a continuous fermentation process for A. woodii was developed. Thus, acetone productivity of the strain A. woodii [pMTL84151_actthlA] was increased from 1.2mgL(-1)h(-1) in bottle fermentation to 26.4mgL(-1)h(-1) in continuous gas fermentation. Copyright © 2016 International Metabolic Engineering Society. Published by Elsevier Inc. All rights reserved.

  9. Breath acetone monitoring by portable Si:WO3 gas sensors

    International Nuclear Information System (INIS)

    Righettoni, Marco; Tricoli, Antonio; Gass, Samuel; Schmid, Alex; Amann, Anton; Pratsinis, Sotiris E.

    2012-01-01

    Highlights: ► Portable sensors were developed and tested for monitoring acetone in the human breath. ► Acetone concentrations down to 20 ppb were measured with short response times ( 3 nanostructured films was developed. The chamber volume was miniaturized while reaction-limited and transport-limited gas flow rates were identified and sensing temperatures were optimized resulting in a low detection limit of acetone (∼20 ppb) with short response (10–15 s) and recovery times (35–70 s). Furthermore, the sensor signal (response) was robust against variations of the exhaled breath flow rate facilitating application of these sensors at realistic relative humidities (80–90%) as in the human breath. The acetone content in the breath of test persons was monitored continuously and compared to that of state-of-the-art proton transfer reaction mass spectrometry (PTR-MS). Such portable devices can accurately track breath acetone concentration to become an alternative to more elaborate breath analysis techniques.

  10. Quantitative Clinical Diagnostic Analysis of Acetone in Human Blood by HPLC: A Metabolomic Search for Acetone as Indicator

    OpenAIRE

    Akgul Kalkan, Esin; Sahiner, Mehtap; Ulker Cakir, Dilek; Alpaslan, Duygu; Yilmaz, Selehattin

    2016-01-01

    Using high-performance liquid chromatography (HPLC) and 2,4-dinitrophenylhydrazine (2,4-DNPH) as a derivatizing reagent, an analytical method was developed for the quantitative determination of acetone in human blood. The determination was carried out at 365?nm using an ultraviolet-visible (UV-Vis) diode array detector (DAD). For acetone as its 2,4-dinitrophenylhydrazone derivative, a good separation was achieved with a ThermoAcclaim C18 column (15?cm ? 4.6?mm ? 3??m) at retention time (t R) ...

  11. A cross-sectional study of breath acetone based on diabetic metabolic disorders.

    Science.gov (United States)

    Li, Wenwen; Liu, Yong; Lu, Xiaoyong; Huang, Yanping; Liu, Yu; Cheng, Shouquan; Duan, Yixiang

    2015-02-26

    Breath acetone is a known biomarker for diabetes mellitus in breath analysis. In this work, a cross-sectional study of breath acetone based on clinical metabolic disorders of type 2 diabetes mellitus (T2DM) was carried out. Breath acetone concentrations of 113 T2DM patients and 56 apparently healthy individuals were measured at a single time point. Concentrations varied from 0.22 to 9.41 ppmv (mean 1.75 ppmv) for T2DM, which were significantly higher than those for normal controls (ranged from 0.32 to 1.96 ppmv, mean 0.72 ppmv, p = 0.008). Observations in our work revealed that breath acetone concentrations elevated to different degrees, along with the abnormality of blood glucose, glycated hemoglobin (HbA1c), triglyceride and cholesterol. Breath acetone showed obviously positive correlations with blood ketone and urine ketone. Possible metabolic relations between breath acetone and diabetic disorders were also discussed. This work aimed at giving an overall assessment of breath acetone from the perspective of clinical parameters for type 2 diabetes.

  12. Proteomic analysis of nitrate-dependent acetone degradation by Alicycliphilus denitrificans strain BC

    NARCIS (Netherlands)

    Oosterkamp, M.J.; Boeren, S.; Atashgahi, S.; Plugge, C.M.; Schaap, P.J.; Stams, A.J.M.

    2015-01-01

    Alicycliphilus denitrificans strain BC grows anaerobically on acetone with nitrate as electron acceptor. Comparative proteomics of cultures of A. denitrificans strain BC grown on either acetone or acetate with nitrate was performed to study the enzymes involved in the acetone degradation pathway. In

  13. Catalytic function of the mycobacterial binuclear iron monooxygenase in acetone metabolism.

    Science.gov (United States)

    Furuya, Toshiki; Nakao, Tomomi; Kino, Kuniki

    2015-10-01

    Mycobacteria such as Mycobacterium smegmatis strain mc(2)155 and Mycobacterium goodii strain 12523 are able to grow on acetone and use it as a source of carbon and energy. We previously demonstrated by gene deletion analysis that the mimABCD gene cluster, which encodes a binuclear iron monooxygenase, plays an essential role in acetone metabolism in these mycobacteria. In the present study, we determined the catalytic function of MimABCD in acetone metabolism. Whole-cell assays were performed using Escherichia coli cells expressing the MimABCD complex. When the recombinant E. coli cells were incubated with acetone, a product was detected by gas chromatography (GC) analysis. Based on the retention time and the gas chromatography-mass spectrometry (GC-MS) spectrum, the reaction product was identified as acetol (hydroxyacetone). The recombinant E. coli cells produced 1.02 mM of acetol from acetone within 24 h. Furthermore, we demonstrated that MimABCD also was able to convert methylethylketone (2-butanone) to 1-hydroxy-2-butanone. Although it has long been known that microorganisms such as mycobacteria metabolize acetone via acetol, this study provides the first biochemical evidence for the existence of a microbial enzyme that catalyses the conversion of acetone to acetol. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  14. Adsorption and Reaction of Acetone over CeOX(111) Thin Films

    International Nuclear Information System (INIS)

    Mullins, David R.; Senanayake, Sanjaya D.; Gordon, Wesley O.; Overbury, Steven H.

    2009-01-01

    This study reports the interaction of acetone (CH3COCH3), the simplest ketone, with well ordered CeO2(111) thin film surfaces. The fully oxidized CeO2(111) surface shows a weak interaction with acetone with the sole desorption product (TPD) being acetone at 210 K. The chemisorbed molecule binds to the surface as the ?1-acetone species rather than through a bridge-bonded dioxy-configuration. Exposure of a CeO2(111) surface to acetone at 600K removes oxygen as CO and results in the conversion of Ce4+ to Ce3+. Acetone chemisorbs strongly on reduced CeO2-x(111) with molecular acetone desorbing near 500 K. Decomposition also occurs with H2 desorbing between 450 and 600 K and C reacting with O in the ceria to desorb above 650 K. A stable species exists from 200 to 500 K on the reduced surface that has three unique types of C. High resolution C 1s XPS spectra indicate these are Ce-CH2, C-CH3 and C-O species. C k-edge NEXAFS indicates the presence of C(double b ond)C and C(double b ond)O bonds. It is postulated that the intermediate is a carbanion bonded through both O and C atoms to Ce cations.

  15. Delayed fluorescence of meso-tetraphenylporphyrin in acetone and in dimethylsulphoxide

    International Nuclear Information System (INIS)

    Korinek, M.; Klinger, P.; Dedic, R.; Psencik, J.; Svoboda, A.; Hala, J.

    2007-01-01

    Photodynamic therapy is based on photosensitisation of singlet oxygen by porphyrin-like molecules. We have performed a systematic study of delayed fluorescence of tetraphenylporphyrin in acetone (used as a spectroscopic standard) and in dimethylsulphoxide (clinically used solvent) to obtain spectra, kinetics, and quantum yields, including their dependencies on tetraphenylporphyrin concentration. In dimethylsulphoxide the repopulation of excited singlets and subsequent delayed fluorescence is caused by triplet-triplet quenching with rate constant of (2.2±1.0)x10 9 l mol -1 s -1 . However, repopulation of excited singlets in acetone is also caused by singlet oxygen reaction with triplet tetraphenylporphyrin causing monoexponential delayed fluorescence decay with the lifetime 0.3 μs. Due to much lower viscosity of acetone compared to dimethylsulphoxide, triplet-triplet quenching constant in acetone is much higher (1.7±0.7)x10 10 l mol -1 s -1 . The rate constant for the reaction of singlet oxygen with triplet of tetraphenylporphyrin is (2.0±0.8)x10 10 l mol -1 s -1 in acetone

  16. Characterisation of cellulose films regenerated from acetone/water coagulants.

    Science.gov (United States)

    Geng, Hongjuan; Yuan, Zaiwu; Fan, Qingrui; Dai, Xiaonan; Zhao, Yue; Wang, Zhaojiang; Qin, Menghua

    2014-02-15

    A precooled aqueous solution of 7 wt% NaOH/12 wt% urea was used to dissolve cellulose up to a concentration of 2 wt%, which was then coagulated in an acetone/water mixture to regenerate cellulose film. The volume ratio of acetone to water (φ) had a dominant influence on film dimensional stability, film-forming ability, micromorphology, and mechanical strength. The film regenerated at φ=2.0 showed excellent performance in both dimensional stability and film-forming ability. Compared to that from pure acetone, the cellulose film from the acetone/water mixture with φ=2.0 was more densely interwoven, since the cellulosic fibrils formed during regeneration had pores with smaller average diameter. The alkali capsulated in the film during film formation could be released at quite a slow rate into the surrounding aqueous solution. The regenerated cellulose film with adjustable structure and properties may have potential applications in drug release and ultra filtration. Copyright © 2013 Elsevier Ltd. All rights reserved.

  17. Novel Acetone Metabolism in a Propane-Utilizing Bacterium, Gordonia sp. Strain TY-5▿

    Science.gov (United States)

    Kotani, Tetsuya; Yurimoto, Hiroya; Kato, Nobuo; Sakai, Yasuyoshi

    2007-01-01

    In the propane-utilizing bacterium Gordonia sp. strain TY-5, propane was shown to be oxidized to 2-propanol and then further oxidized to acetone. In this study, the subsequent metabolism of acetone was studied. Acetone-induced proteins were found in extracts of cells induced by acetone, and a gene cluster designated acmAB was cloned on the basis of the N-terminal amino acid sequences of acetone-induced proteins. The acmA and acmB genes encode a Baeyer-Villiger monooxygenase (BVMO) and esterase, respectively. The BVMO encoded by acmA was purified from acetone-induced cells of Gordonia sp. strain TY-5 and characterized. The BVMO exhibited NADPH-dependent oxidation activity for linear ketones (C3 to C10) and cyclic ketones (C4 to C8). Escherichia coli expressing the acmA gene oxidized acetone to methyl acetate, and E. coli expressing the acmB gene hydrolyzed methyl acetate. Northern blot analyses revealed that polycistronic transcription of the acmAB gene cluster was induced by propane, 2-propanol, and acetone. These results indicate that the acmAB gene products play an important role in the metabolism of acetone derived from propane oxidation and clarify the propane metabolism pathway of strain TY-5 (propane → 2-propanol → acetone → methyl acetate → acetic acid + methanol). This paper provides the first evidence for BVMO-dependent acetone metabolism. PMID:17071761

  18. Protein precipitation of diluted samples in SDS-containing buffer with acetone leads to higher protein recovery and reproducibility in comparison with TCA/acetone approach.

    Science.gov (United States)

    Santa, Cátia; Anjo, Sandra I; Manadas, Bruno

    2016-07-01

    Proteomic approaches are extremely valuable in many fields of research, where mass spectrometry methods have gained an increasing interest, especially because of the ability to perform quantitative analysis. Nonetheless, sample preparation prior to mass spectrometry analysis is of the utmost importance. In this work, two protein precipitation approaches, widely used for cleaning and concentrating protein samples, were tested and compared in very diluted samples solubilized in a strong buffer (containing SDS). The amount of protein recovered after acetone and TCA/acetone precipitation was assessed, as well as the protein identification and relative quantification by SWATH-MS yields were compared with the results from the same sample without precipitation. From this study, it was possible to conclude that in the case of diluted samples in denaturing buffers, the use of cold acetone as precipitation protocol is more favourable than the use of TCA/acetone in terms of reproducibility in protein recovery and number of identified and quantified proteins. Furthermore, the reproducibility in relative quantification of the proteins is even higher in samples precipitated with acetone compared with the original sample. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Monitoring the Aggregation of Dansyl Chloride in Acetone through Fluorescence Measurements

    Institute of Scientific and Technical Information of China (English)

    FANG,Yu; YIN,Yi-Qing; 等

    2002-01-01

    The aggregation of dansyl chloride (DNS-Cl) in acetone has been studied in detail by steady-state fluorescence techniques.It has been demonstrated that DNS-Cl is stable in acetone during purification and aggregation study processes.The aggregates are not solvolyzed in acetone,and do not take part n any chemical reactions either.It has been found that DNS-Cl tends to aggregate even when its concentration is much lower than its solubility in acetone.The aggregation is reversible,and both the aggregation and the deaggregation are very slow processes.Introduction of SDS has a positive effect upon the formation and stabilization of the aggregates.

  20. Monitoring the Aggregation of Dansyl Chloride in Acetone through Fluorescence Measurements

    Institute of Scientific and Technical Information of China (English)

    FANG,Yu(房喻); YIN,Yi-Qing(尹艺青); HU,Dao-Dao(胡道道); GAO,Gai-Ling(高改玲)

    2002-01-01

    The aggregation of dansyl chloride (DNS-Cl) in acetone has been studied in detail by steady-state fluorescence techniques. It has been demonstrated that DNS-Cl is stable in acetone during purification and aggregation study processes. The aggregates are not solvolyzed in acetone, and do not take part in any chemical reactions either. It has been found that DNS-Cl tends to aggregate even when its concentration is much lower than its solubility in acetone. The aggregation is reversible, and both the aggregation and the deaggregation are very slow processes.Introduction of SDS has a positive effect upon the formation and stabilization of the aggregates.

  1. Antibacterial Activities and Mechanism of Action of Acetone Extracts from Rabdosia rubescens

    Directory of Open Access Journals (Sweden)

    Li Ping Cheng

    2014-12-01

    Full Text Available The antibacterial activities and mechanism of action of acetone extracts from R. rubescens were reported in this paper. The results showed that 80% acetone extracts had both the highest contents of total phenolics and flavonoids. Acetone extracts showed better antibacterial activities against Gram-positive bacterial strains and there were no inhibitory effects found on tested Gram-negative bacteria. In addition, 80% acetone extracts from R. rubescens had relatively higher antibacterial activities with the lowest values of MIC and MBC at 2.5 mg/mL and 5 mg/mL against B. subtilis. The antibacterial mechanism of 80% acetone extracts against Bacillus subtilis might be described as disrupting cell wall, increasing cell membrane permeability, and finally leading to the leakage of cell constituents

  2. Sensor gas analyzer for acetone determination in expired air

    Science.gov (United States)

    Baranov, Vitaly V.

    2001-05-01

    Diseases and changes in the way of life change the concentration and composition of the expired air. Our adaptable gas analyzer is intended for the selective analysis of expired air and can be adapted for the solution of current diagnostic and analytical tasks by the user (a physician or a patient). Having analyzed the existing trends in the development of noninvasive diagnostics we have chosen the method of noninvasive acetone detection in expired air, where the acetone concentration correlates with blood and urine glucose concentrations. The appearance of acetone in expired air is indicative of disorders that may be caused not only by diabetes but also be wrong diet, incorrect sportsmen training etc. To control the disorders one should know the acetone concentration in the human body. This knowledge allows one to judge upon the state of the patient, choose a correct diet that will not cause damage to the patient's health, determine sportsmen training efficiency and results and solve the artificial pancreas problem. Our device provide highly accurate analysis, rapid diagnostics and authentic acetone quantification in the patient's body at any time aimed at prediction of the patient's state and assessing the efficiency of the therapy used. Clinical implementation of the device will improve the health and save lives of many thousands of diabetes sufferers.

  3. IR spectra and properties of solid acetone, an interstellar and cometary molecule

    Science.gov (United States)

    Hudson, Reggie L.; Gerakines, Perry A.; Ferrante, Robert F.

    2018-03-01

    Mid-infrared spectra of amorphous and crystalline acetone are presented along with measurements of the refractive index and density for both forms of the compound. Infrared band strengths are reported for the first time for amorphous and crystalline acetone, along with IR optical constants. Vapor pressures and a sublimation enthalpy for crystalline acetone also are reported. Positions of 13C-labeled acetone are measured. Band strengths are compared to gas-phase values and to the results of a density-functional calculation. A 73% error in previous work is identified and corrected.

  4. Heat transfer performance of a pulsating heat pipe charged with acetone-based mixtures

    Science.gov (United States)

    Wang, Wenqing; Cui, Xiaoyu; Zhu, Yue

    2017-06-01

    Pulsating heat pipes (PHPs) are used as high efficiency heat exchangers, and the selection of working fluids in PHPs has a great impact on the heat transfer performance. This study investigates the thermal resistance characteristics of the PHP charged with acetone-based binary mixtures, where deionized water, methanol and ethanol were added to and mixed with acetone, respectively. The volume mixing ratios were 2:1, 4:1 and 7:1, and the heating power ranged from 10 to 100 W with filling ratios of 45, 55, 62 and 70%. At a low filling ratio (45%), the zeotropic characteristics of the binary mixtures have an influence on the heat transfer performance of the PHP. Adding water, which has a substantially different boiling point compared with that of acetone, can significantly improve the anti-dry-out ability inside the PHP. At a medium filling ratio (55%), the heat transfer performance of the PHP is affected by both phase transition characteristics and physical properties of working fluids. At high heating power, the thermal resistance of the PHP with acetone-water mixture is between that with pure acetone and pure water, whereas the thermal resistance of the PHP with acetone-methanol and acetone-ethanol mixtures at mixing ratios of 2:1 and 4:1 is less than that with the corresponding pure fluids. At high filling ratios (62 and 70%), the heat transfer performance of the PHP is mainly determined by the properties of working fluids that affects the flow resistance. Thus, the PHP with acetone-methanol and acetone-ethanol mixtures that have a lower flow resistance shows better heat transfer performance than that with acetone-water mixture.

  5. Pathological effects of acetone cyanohydrin in swiss rats

    Directory of Open Access Journals (Sweden)

    Marcos Natal Rufino

    Full Text Available ABSTRACT Cassava has been widely used for animal and human nutrition. It has also been demonstrated to have antineoplastic and anthelmintic properties. Toxicity due to cassava consumption has been reported in ruminants and laboratory animals; therefore, this study aimed to investigate the toxic effects of acetone cyanohydrin, a metabolite of linamarin that is present in cassava, in Wistar rats. Six groups of five animals each were used to evaluate the toxic effects of acetone cyanohydrin administered at 25 (G1, 50 (G2, 75 (G3, 100 (G4 and 125 (G5 µmol/kg as a single oral dose. The control group received acidified water (pH 3.5. The animals were monitored after administration of acetone cyanohydrin, and clinical symptoms were recorded. Serum enzyme levels were measured to assess the kidney and liver function. During necropsy, tissue samples were collected for histopathological examination. After administration, some animals in the G2, G4, and G5 groups presented neurological symptoms such as convulsions, involuntary muscle contraction, staggering gait, motor coordination disability, prostration, and mydriasis. All of the animals in the G5 and four animals in the G4 group died seven minutes after the administration of acetone cyanohydrin. Animals in the other groups, particularly in G2, recovered from the acute phase. Biochemical analysis revealed hepatic lesions and liver dysfunction. Histopathology revealed severe lesions in both the liver and brain. In conclusion, acetone cyanohydrin has toxic effects in the liver, lung, and central nervous system in rats; however, at concentrations up to 25 µmol/kg, the animals could survive the acute phase.

  6. Evidence for an Inducible Nucleotide-Dependent Acetone Carboxylase in Rhodococcus rhodochrous B276

    OpenAIRE

    Clark, Daniel D.; Ensign, Scott A.

    1999-01-01

    The metabolism of acetone was investigated in the actinomycete Rhodococcus rhodochrous (formerly Nocardia corallina) B276. Suspensions of acetone- and isopropanol-grown R. rhodochrous readily metabolized acetone. In contrast, R. rhodochrous cells cultured with glucose as the carbon source lacked the ability to metabolize acetone at the onset of the assay but gained the ability to do so in a time-dependent fashion. Chloramphenicol and rifampin prevented the time-dependent increase in this acti...

  7. Phase transitions of amorphous solid acetone in confined geometry investigated by reflection absorption infrared spectroscopy.

    Science.gov (United States)

    Shin, Sunghwan; Kang, Hani; Kim, Jun Soo; Kang, Heon

    2014-11-26

    We investigated the phase transformations of amorphous solid acetone under confined geometry by preparing acetone films trapped in amorphous solid water (ASW) or CCl4. Reflection absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) were used to monitor the phase changes of the acetone sample with increasing temperature. An acetone film trapped in ASW shows an abrupt change in the RAIRS features of the acetone vibrational bands during heating from 80 to 100 K, which indicates the transformation of amorphous solid acetone to a molecularly aligned crystalline phase. Further heating of the sample to 140 K produces an isotropic solid phase, and eventually a fluid phase near 157 K, at which the acetone sample is probably trapped in a pressurized, superheated condition inside the ASW matrix. Inside a CCl4 matrix, amorphous solid acetone crystallizes into a different, isotropic structure at ca. 90 K. We propose that the molecularly aligned crystalline phase formed in ASW is created by heterogeneous nucleation at the acetone-water interface, with resultant crystal growth, whereas the isotropic crystalline phase in CCl4 is formed by homogeneous crystal growth starting from the bulk region of the acetone sample.

  8. (RS-Efonidipine acetone hemisolvate

    Directory of Open Access Journals (Sweden)

    Yu-Heng Liu

    2016-09-01

    Full Text Available The asymmetric unit of the title compound, C34H38N3O7P·0.5C3H6O {systematic name: (RS-2-[phenyl(phenylmethylamino]ethyl 5-(5,5-dimethyl-2-oxo-1,3-dioxa-2λ5-phosphacyclohex-2-yl-2,6-dimethyl-4-(3-nitrophenyl-1,4-dihydropyridine-3-carboxylate acetone hemisolvate}, contains one R-efonidipine molecule, one S-efonidipine molecule and half of a solvate acetone molecule. In both efonidipine molecules, the six-membered rings of the dioxaphosphinanyl moieties display a chair conformation and the dihydropyridine rings display a flattened boat conformation. In the crystal, N—H...O, C—H...O hydrogen bonds and weak C—H...π interactions link the molecules into a three-dimensional supramolecular structure. A solvent-accessible void of 199 Å3 is found in the structure; the contribution of the heavily disordered solvate molecule was suppressed by use of the SQUEEZE routine in PLATON [Spek (2015. Acta Cryst. C71, 9–18].

  9. Mass Spectrometry of Intact Proteins Reveals +98 u Chemical Artifacts Following Precipitation in Acetone.

    Science.gov (United States)

    Güray, Melda Z; Zheng, Shi; Doucette, Alan A

    2017-02-03

    Protein precipitation in acetone is frequently employed ahead of mass spectrometry for sample preconcentration and purification. Unfortunately, acetone is not chemically inert; mass artifacts have previously been observed on glycine-containing peptides when exposed to acetone under acidic conditions. We herein report a distinct chemical modification occurring at the level of intact proteins when incubated in acetone. This artifact manifests as one or more satellite peaks in the MS spectrum of intact protein, spaced 98 u above the mass of the unmodified protein. Other artifacts (+84, +112 u) also appear upon incubation of proteins or peptides in acetone. The reaction is pH-sensitive, being suppressed when proteins are exposed to acetone under acidic conditions. The +98 u artifact is speculated to originate through an intermediate product of aldol condensation of acetone to form diacetone alcohol and mesityl oxide. A +98 u product could originate from nucleophilic attack on mesityl oxide or through condensation with diacetone alcohol. Given the extent of modification possible upon exposure of proteins to acetone, particularly following overnight solvent exposure or incubation at room temperature, an awareness of the variables influencing this novel modification is valued by proteomics researchers who employ acetone precipitation for protein purification.

  10. Solvent (acetone-butanol: ab) production

    Science.gov (United States)

    This article describes production of butanol [acetone-butanol-ethanol, (also called AB or ABE or solvent)] by fermentation using both traditional and current technologies. AB production from agricultural commodities, such as corn and molasses, was an important historical fermentation. Unfortunately,...

  11. Human sensory response to acetone/air mixtures.

    Science.gov (United States)

    Salthammer, T; Schulz, N; Stolte, R; Uhde, E

    2016-10-01

    The release of organic compounds from building products may influence the perceived air quality in the indoor environment. Consequently, building products are assessed for chemical emissions and for the acceptability of emitted odors. A procedure for odor evaluations in test chambers is described by the standard ISO 16000-28. A panel of eight or more trained subjects directly determines the perceived intensity Π (unit pi) of an air sample via diffusers. For the training of the panelists, a comparative Π-scale is applied. The panelists can use acetone/air mixtures in a concentration range between 20 mg/m(3) (0 pi) and 320 mg/m(3) (15 pi) as reference. However, the training and calibration procedure itself can substantially contribute to the method uncertainty. This concerns the assumed odor threshold of acetone, the variability of panelist responses, and the analytical determination of acetone concentrations in air with online methods as well as the influence of the diffuser geometry and the airflow profile. © 2015 The Authors. Indoor Air published by John Wiley & Sons Ltd.

  12. On the adsorption/reaction of acetone on pure and sulfate-modified zirconias.

    Science.gov (United States)

    Crocellà, Valentina; Cerrato, Giuseppina; Morterra, Claudio

    2013-08-28

    In situ FTIR spectroscopy was employed to investigate some aspects of the ambient temperature (actually, IR-beam temperature) adsorption of acetone on various pure and sulfate-doped zirconia specimens. Acetone uptake yields, on all examined systems and to a variable extent, different types of specific molecular adsorption, depending on the kind/population of available surface sites: relatively weak H-bonding interaction(s) with surface hydroxyls, medium-strong coordinative interaction with Lewis acidic sites, and strong H-bonding interaction with Brønsted acidic centres. Moreover acetone, readily and abundantly adsorbed in molecular form, is able to undergo the aldol condensation reaction (yielding, as the main reaction product, adsorbed mesityl oxide) only if the adsorbing material possesses some specific surface features. The occurrence/non-occurrence of the acetone self-condensation reaction is discussed, and leads to conclusions concerning the sites that catalyze the condensation reaction that do not agree with either of two conflicting interpretations present in the literature of acetone uptake/reaction on, mainly, zeolitic systems. In particular, what turns out to be actually necessary for the acetone aldol condensation reaction to occur on the examined zirconia systems is the presence of coordinatively unsaturated O(2-) surface sites of basicity sufficient to lead to the extraction of a proton from one of the CH3 groups of adsorbed acetone.

  13. Breath acetone monitoring by portable Si:WO3 gas sensors

    Science.gov (United States)

    Righettoni, Marco; Tricoli, Antonio; Gass, Samuel; Schmid, Alex; Amann, Anton; Pratsinis, Sotiris E.

    2013-01-01

    Breath analysis has the potential for early stage detection and monitoring of illnesses to drastically reduce the corresponding medical diagnostic costs and improve the quality of life of patients suffering from chronic illnesses. In particular, the detection of acetone in the human breath is promising for non-invasive diagnosis and painless monitoring of diabetes (no finger pricking). Here, a portable acetone sensor consisting of flame-deposited and in situ annealed, Si-doped epsilon-WO3 nanostructured films was developed. The chamber volume was miniaturized while reaction-limited and transport-limited gas flow rates were identified and sensing temperatures were optimized resulting in a low detection limit of acetone (~20 ppb) with short response (10–15 s) and recovery times (35–70 s). Furthermore, the sensor signal (response) was robust against variations of the exhaled breath flow rate facilitating application of these sensors at realistic relative humidities (80–90%) as in the human breath. The acetone content in the breath of test persons was monitored continuously and compared to that of state-of-the-art proton transfer reaction mass spectrometry (PTR-MS). Such portable devices can accurately track breath acetone concentration to become an alternative to more elaborate breath analysis techniques. PMID:22790702

  14. Home-made Detection Device for a Mixture of Ethanol and Acetone

    Directory of Open Access Journals (Sweden)

    Sukon Phanichphant

    2007-02-01

    Full Text Available A device for the detection and determination of ethanol and acetone wasconstructed, consisting of a packed column, a chamber with a sensor head, 2 dc powersupplies, a multimeter and a computer. A commercially available TGS 822 detector head(Figaro Company Limited was used as the sensor head. The TGS 822 detector consists of aSnO2 thick film deposited on the surface of an alumina ceramic tube which contains aheating element inside. An analytical column was coupled with the setup to enhance theseparation of ethanol and acetone before they reached the sensor head. Optimum systemconditions for detection of ethanol and acetone were achieved by varying the flow rate of thecarrier gas, voltage of the heating coil (VH, voltage of the circuit sensor (VC, loadresistance of the circuit sensor (RL and the injector port temperature. The flow of the carriergas was 15 mL/min; the circuit conditions were VH = 5.5 V, VC = 20 V, RL = 68 k ; and theinjection port temperature was 150°C. Under these conditions the retention times (tR forethanol and acetone were 1.95 and 0.57 minutes, respectively. Calibration graphs wereobtained for ethanol and acetone over the concentration range of 10 to 160 mg/L. The limitsof detection (LOD for ethanol and acetone were 9.25 mg/L and 4.41 mg/L respectively.

  15. Carbonylation as a key reaction in anaerobic acetone activation by Desulfococcus biacutus.

    Science.gov (United States)

    Gutiérrez Acosta, Olga B; Hardt, Norman; Schink, Bernhard

    2013-10-01

    Acetone is activated by aerobic and nitrate-reducing bacteria via an ATP-dependent carboxylation reaction to form acetoacetate as the first reaction product. In the activation of acetone by sulfate-reducing bacteria, acetoacetate has not been found to be an intermediate. Here, we present evidence of a carbonylation reaction as the initial step in the activation of acetone by the strictly anaerobic sulfate reducer Desulfococcus biacutus. In cell suspension experiments, CO was found to be a far better cosubstrate for acetone activation than CO2. The hypothetical reaction product, acetoacetaldehyde, is extremely reactive and could not be identified as a free intermediate. However, acetoacetaldehyde dinitrophenylhydrazone was detected by mass spectrometry in cell extract experiments as a reaction product of acetone, CO, and dinitrophenylhydrazine. In a similar assay, 2-amino-4-methylpyrimidine was formed as the product of a reaction between acetoacetaldehyde and guanidine. The reaction depended on ATP as a cosubstrate. Moreover, the specific activity of aldehyde dehydrogenase (coenzyme A [CoA] acylating) tested with the putative physiological substrate was found to be 153 ± 36 mU mg(-1) protein, and its activity was specifically induced in extracts of acetone-grown cells. Moreover, acetoacetyl-CoA was detected (by mass spectrometry) after the carbonylation reaction as the subsequent intermediate after acetoacetaldehyde was formed. These results together provide evidence that acetoacetaldehyde is an intermediate in the activation of acetone by sulfate-reducing bacteria.

  16. Derivatization reaction-based surface-enhanced Raman scattering (SERS) for detection of trace acetone.

    Science.gov (United States)

    Zheng, Ying; Chen, Zhuo; Zheng, Chengbin; Lee, Yong-Ill; Hou, Xiandeng; Wu, Li; Tian, Yunfei

    2016-08-01

    A facile method was developed for determination of trace volatile acetone by coupling a derivatization reaction to surface-enhanced Raman scattering (SERS). With iodide modified Ag nanoparticles (Ag IMNPs) as the SERS substrate, acetone without obvious Raman signal could be converted to SERS-sensitive species via a chemical derivatization reaction with 2,4-dinitrophenylhydrazine (2,4-DNPH). In addition, acetone can be effectively separated from liquid phase with a purge-sampling device and then any serious interference from sample matrices can be significantly reduced. The optimal conditions for the derivatization reaction and the SERS analysis were investigated in detail, and the selectivity and reproducibility of this method were also evaluated. Under the optimal conditions, the limit of detection (LOD) for acetone was 5mgL(-1) or 0.09mM (3σ). The relative standard deviation (RSD) for 80mgL(-1) acetone (n=9) was 1.7%. This method was successfully used for the determination of acetone in artificial urine and human urine samples with spiked recoveries ranging from 92% to 110%. The present method is convenient, sensitive, selective, reliable and suitable for analysis of trace acetone, and it could have a promising clinical application in early diabetes diagnosis. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Evaluation of acetone vapors toxicity on Plodia interpunctella (Hubner) (Lepidoptera: Pyralidae) eggs.

    Science.gov (United States)

    Pourmirza, Ali Asghr; Nasab, Fershteh Sadeghi; Zadeh, Abas Hossein

    2007-08-01

    The efficacy of acetone vapors against carefully aged eggs of Plodia interpunctella (Hubner) at 17+/-1 and 27+/-1 degrees C at different dosage levels of acetone over various exposure times was determined. Acetone was found to be toxic to Indian meal moth eggs. Considerable variation in the susceptibility of different age groups of eggs was apparent in the fiducial limits of the LD50 values. An inverse relationship between LD50 values and exposure times was observed in age groups of tested eggs. At 27+/-1 degrees C and 24 h exposure period, eggs aged 1-2 day-old were more tolerant to acetone than other age groups, followed by 0-1 day-old, 2-3 day-old and 3-4 day-old eggs. A similar pattern of susceptibility of eggs was observed at 72 h exposure. In all bioassays, eggs exposed to higher dosages of acetone developed at smaller rate. This was significant for the eggs, which were exposed to the highest dosage for 24 h. Increasing the temperature from 17+/-1 to 27+/-1 degrees C greatly increased the efficacy of acetone. At 27+/-1 degrees C eggs of P. interpunctella were killed by less than one-third of the dosage required for control at 17+/-1 degrees C. Acetone achieved 50% mortality with a dosage of 82.76 mg L(-1) in 1-2 day-old eggs at 27+/-1 degrees C. At this temperature hatching was retarded and greatly diminished when eggs aged 1-2 day-old were exposed to 80 mg L(-1) of acetone for the 24 h exposure period. There was no evidence of a hatch delay longer than the time spent under vapors for eggs exposed at 17+/-1 or 27+/-1 degrees C, indicating that some development must have occurred under fumigation.

  18. Weak carbonyl-methyl intermolecular interactions in acetone clusters explored by IR plus VUV spectroscopy

    International Nuclear Information System (INIS)

    Guan, Jiwen; Hu, Yongjun; Xie, Min; Bernstein, Elliot R.

    2012-01-01

    Highlights: ► The carbonyl overtone of acetone clusters is observed by IR-VUV spectroscopy. ► Acetone molecules in the dimer are stacked with an antiparallel way. ► The structure of the acetone trimer and the tetramer are the cyclic structures. ► The carbonyl groups would interact with the methyl groups in acetone clusters. ► These weak interactions are further confirmed by H/D substitution experiment. -- Abstract: Size-selected IR–VUV spectroscopy is employed to detect vibrational characteristics in the region 2850 ∼ 3550 cm −1 of neutral acetone and its clusters (CH 3 COCH 3 ) n (n = 1–4). Features around 3440 cm −1 in the spectra of acetone monomer and its clusters are assigned to the carbonyl stretch (CO) overtone. These features red-shift from 3455 to 3433 cm −1 as the size of the clusters increases from the monomer to the tetramer. Based on calculations, the experimental IR spectra in the C=O overtone region suggest that the dominant structures for the acetone trimer and tetramer should be cyclic in the supersonic expansion sample. This study also suggests that the carbonyl groups interact with the methyl groups in the acetone clusters. These weak interactions are further confirmed by the use of deuterium substitution.

  19. Solvents (butanol, acetone, and ethanol)

    Energy Technology Data Exchange (ETDEWEB)

    Yarovenko, V L; Nakhmanovich, B M

    1963-07-17

    The method involves use of carbohydrate containing plant raw-material, e.g., hydrolyzates of corn cob and pulp. The material is subjected to fermentation with acetone-butanol bacteria with addition of starch-industry wastes as source of proteins (gluten and gluten-containing water) and nutrient salts.

  20. Fermentation and genomic analysis of acetone-uncoupled butanol production by Clostridium tetanomorphum.

    Science.gov (United States)

    Gong, Fuyu; Bao, Guanhui; Zhao, Chunhua; Zhang, Yanping; Li, Yin; Dong, Hongjun

    2016-02-01

    In typical acetone-butanol-ethanol (ABE) fermentation, acetone is the main by-product (50 % of butanol mass) of butanol production, resulting in a low yield of butanol. It is known that some Clostridium tetanomorphum strains are able to produce butanol without acetone in nature. Here, we described that C. tetanomorphum strain DSM665 can produce 4.16 g/L butanol and 4.98 g/L ethanol at pH 6.0, and 9.81 g/L butanol and 1.01 g/L ethanol when adding 1 mM methyl viologen. Butyrate and acetate could be reassimilated and no acetone was produced. Further analysis indicated that the activity of the acetate/butyrate:acetoacetyl-CoA transferase responsible for acetone production is lost in C. tetanomorphum DSM665. The genome of C. tetanomorphum DSM665 was sequenced and deposited in DDBJ, EMBL, and GenBank under the accession no. APJS00000000. Sequence analysis indicated that there are no typical genes (ctfA/B and adc) that are typically parts of an acetone synthesis pathway in C. tetanomorphum DSM665. This work provides new insights in the mechanism of clostridial butanol production and should prove useful for the design of a high-butanol-producing strain.

  1. An isotope dependent study of acetone in its lowest excited triplet state

    International Nuclear Information System (INIS)

    Gehrtz, M.; Brauchle, C.; Voitlaender, J.

    1984-01-01

    The lowest excited triplet state T 1 of acetone-h 6 and acetone-d 6 was investigated with a pulsed dye laser equipped ODMR spectrometer. Acetone is found to be bent in T 1 and the out-of-plane distortion angle is estimated to be approx.= 38 0 . The observed zero-field splitting (ZFS) is surprisingly small. Both the spin-spin and the spin-orbit (SO) contribution to the ZFS are evaluated. The SO tensor contribution is calculated from a correlation between the deuterium effects on the ZFS parameters and the population rates. The sub-level selective kinetics of the acetone T 1 is largely determined by the mixing of the x- and z-level characteristics owing to magnetic axis rotation caused by the excited state out-of-plane distortion. Considerable deuterium effects are observed on the kinetic data and on the microwave transition frequencies. In all cases the spin-specific isotope effects (due to the promoting modes) and the global effects (due to the Franck-Condon factors) are specified. For the population rates and the SO contribution to ZFS, the inverse global isotope effects (deuterium factor > 1) was found for the first time. Based on the isotope dependence of the rates, the mechanisms of (vibrationally induced) SO coupling in acetone are discussed. It is concluded that non-adiabatic contributions have to be taken into account for the smallest population rate only, but that otherwise the adiabatic SO coupling mechanisms by far dominates in the acetone photophysics. (author)

  2. Fate of acetone in an outdoor model stream in southern Mississippi, U.S.A.

    Science.gov (United States)

    Rathbun, R.E.; Stephens, D.W.; Shultz, D.J.; Tai, D.Y.

    1988-01-01

    The fate of acetone in water was investigated in an outdoor model stream located in southern Mississippi, U.S.A. Acetone was injected continuously for 32 days resulting in small milligram-perliter concentrations in the stream. Rhodamine-WT dye was injected at the beginning and at the end of the study to determine the time-of-travel and dispersion characteristics of the stream. A 12-h injection of t-butyl alcohol (TBA) was used to determine the volatilization characteristics of the stream. Volatilization controlled the acetone concentration in the stream. Significant bacterial degradation of acetone did not occur, contrary to expectations based on previous laboratory studies. Attempts to induce degradation of the acetone by injecting glucose and a nutrient solution containing bacteria acclimated to acetone were unsuccessful. Possible explanations for the lack of bacterial degradation included a nitrate limitation and a limited residence time in the stream system. ?? 1988.

  3. Performance of Cr-doped ZnO for acetone sensing

    Energy Technology Data Exchange (ETDEWEB)

    Al-Hardan, N.H., E-mail: naif_imen@ukm.my [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Abdullah, M.J.; Aziz, A. Abdul [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)

    2013-04-01

    Zinc oxide (ZnO) doped with chromium (Cr) was synthesized by reactive co-sputtering for gas sensing applications. The effect of varying the contents of Cr (from 1 to 4 at%) on the ZnO gas sensor response was studied. X-ray diffraction analysis reveals the high orientation of c-axis of the prepared films. The optimum operating temperature of the undoped ZnO was 400 °C and shifted to 300 °C for the Cr-doped ZnO under the acetone vapour. The 1% Cr doping ZnO gas sensor was most sensitive for the acetone vapour. The ability of the 1% Cr-doped ZnO to produce repeatable results under different acetone vapour concentrations was tested. The timing properties of the doped Cr ZnO gas sensor were 70 and 95 s for the rise and recovery time respectively.

  4. Selective bio-oxidation of propane to acetone using methane-oxidizing Methylomonas sp. DH-1.

    Science.gov (United States)

    Hur, Dong Hoon; Nguyen, Thu Thi; Kim, Donghyuk; Lee, Eun Yeol

    2017-07-01

    Propane is the major component of liquefied petroleum gas (LPG). Nowadays, the use of LPG is decreasing, and thus utilization of propane as a chemical feedstock is in need of development. An efficient biological conversion of propane to acetone using a methanotrophic whole cell as the biocatalyst was proposed and investigated. A bio-oxidation pathway of propane to acetone in Methylomonas sp. DH-1 was analyzed by gene expression profiling via RNA sequencing. Propane was oxidized to 2-propanol by particulate methane monooxygenase and subsequently to acetone by methanol dehydrogenases. Methylomonas sp. DH-1 was deficient in acetone-converting enzymes and thus accumulated acetone in the absence of any enzyme inhibition. The maximum accumulation, average productivity and specific productivity of acetone were 16.62 mM, 0.678 mM/h and 0.141 mmol/g cell/h, respectively, under the optimized conditions. Our study demonstrates a novel method for the bioconversion of propane to acetone using methanotrophs under mild reaction condition.

  5. Multiphoton ionization and fragmentation study of acetone using 308 nm laser radiation

    Science.gov (United States)

    Liu Houxiang, Li Shutao, Han Jingcheng, Zhu Rong, Guan Yifu, Wu Cunkai

    1988-10-01

    Multiphoton ionization and fragmentation (MPI-F) of acetone molecules using 308 nm laser radiation was studied by using a molecular beam and quadrupole mass spectrometer. The ion peaks of acetone molecule appear at m/e=15 and 43, corresponding to the two fragments CH3+ and CH3CO+. It is considered that these two ions are, respectively, formed by direct (2+1) and 2-photon ionization of methyl and acetyl radicals, generated by photodissociation of acetone molecule.

  6. Efficient acetone-butanol-ethanol production by Clostridium beijerinckii from sugar beet pulp.

    Science.gov (United States)

    Bellido, Carolina; Infante, Celia; Coca, Mónica; González-Benito, Gerardo; Lucas, Susana; García-Cubero, María Teresa

    2015-08-01

    Sugar beet pulp (SBP) has been investigated as a promising feedstock for ABE fermentation by Clostridium beijerinckii. Although lignin content in SBP is low, a pretreatment is needed to enhance enzymatic hydrolysis and fermentation yields. Autohydrolysis at pH 4 has been selected as the best pretreatment for SBP in terms of sugars release and acetone and butanol production. The best overall sugars release yields from raw SBP ranged from 66.2% to 70.6% for this pretreatment. The highest ABE yield achieved was 0.4g/g (5.1g/L of acetone and 6.6g/L butanol) and 143.2g ABE/kg SBP (62.3g acetone and 80.9g butanol) were obtained when pretreated SBP was enzymatically hydrolyzed at 7.5% (w/w) solid loading. Higher solid loadings (10%) offered higher acetone and butanol titers (5.8g/L of acetone and 7.8g/L butanol). All the experiments were carried out under not-controlling pH conditions reaching about 5.3 in the final samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. An analysis of human response to the irritancy of acetone vapors

    NARCIS (Netherlands)

    Arts, J.H.E.; Mojet, J.; Gemert, L.J. van; Emmen, H.H.; Lammers, J.H.C.M.; Marquart, J.; Woutersen, R.A.; Feron, V.J.

    2002-01-01

    Studies on the irritative effects of acetone vapor in humans and experimental animals have revealed large differences in the lowest acetone concentration found to be irritative to the respiratory tract and eyes. This has brought on much confusion in the process of setting occupational exposure

  8. [Removal of high-abundance proteins in plasma of the obese by improved TCA/acetone precipitation method].

    Science.gov (United States)

    Wang, Jun; Feng, Liru; Yu, Wei; Xu, Jian; Yang, Hui; Liu, Xiaoli

    2013-09-01

    To develop an improved trichloroacetic acid (TCA)/acetone precipitation method for removal of high-abundance proteins in plasma of the obese. Volumes of TCA/acetone solution (1, 3, 4, 5, 6, 8, 10 and 20 times of the sample) and concentrations of TCA (10%, 30%, 50%, 60%, 70% TCA/acetone solution) have been investigated to optimize the conditions of sample preparation. SDS-PAGE were used to separate and tested proteins in the supernatant and sediment. The best concentration of the TCA/acetone solution was first determined by SDS-PAGE. The protein in precipitation from 10% TCA/acetone solution processing and the new determined concentration TCA/acetone solution processing were verified by 2-D-SDS-PAGE. And then the digested products of the protein in precipitation and supernatant by trypsin were analyzed by nano HPLC-Chip-MS/MS to verify which is the best concentration to process the plasma. The best volume of TCA/acetone is four times to sample, which less or more TCA/acetone would reduce the removal efficiency of high-abundance proteins. The concentration of TCA in acetone solution should be 60%, which may remove more high-abundance proteins in plasma than 10%, 30%, 50% TCA in acetone solution. If the TCA concentration is more than 60%, the reproducibility will be much poorer due to fast precipitation of proteins. The results of mass identification showed that human plasma prepared with 60% TCA/acetone (4 times sample volume) could be verified more low-abundance proteins than 10%. The most desirable conditions for removal of high-abundance proteins in plasma is 60% TCA/acetone (4 times sample volume), especially for the plasma of obesity.

  9. Measurement of natural carbon isotopic composition of acetone in human urine.

    Science.gov (United States)

    Yamada, Keita; Ohishi, Kazuki; Gilbert, Alexis; Akasaka, Mai; Yoshida, Naohiro; Yoshimura, Ryoko

    2016-02-01

    The natural carbon isotopic composition of acetone in urine was measured in healthy subjects using gas chromatography-combustion-isotope ratio mass spectrometry combined with headspace solid-phase microextraction (HS-SPME-GC-C-IRMS). Before applying the technique to a urine sample, we optimized the measurement conditions of HS-SPME-GC-C-IRMS using aqueous solutions of commercial acetone reagents. The optimization enabled us to determine the carbon isotopic compositions within ±0.2 ‰ of precision and ±0.3‰ of error using 0.05 or 0.2 mL of aqueous solutions with acetone concentrations of 0.3-121 mg/L. For several days, we monitored the carbon isotopic compositions and concentrations of acetone in urine from three subjects who lived a daily life with no restrictions. We also monitored one subject for 3 days including a fasting period of 24 h. These results suggest that changes in the availability of glucose in the liver are reflected in changes in the carbon isotopic compositions of urine acetone. Results demonstrate that carbon isotopic measurement of metabolites in human biological samples at natural abundance levels has great potential as a tool for detecting metabolic changes caused by changes in physiological states and disease.

  10. A Portable Real-Time Ringdown Breath Acetone Analyzer: Toward Potential Diabetic Screening and Management.

    Science.gov (United States)

    Jiang, Chenyu; Sun, Meixiu; Wang, Zhennan; Chen, Zhuying; Zhao, Xiaomeng; Yuan, Yuan; Li, Yingxin; Wang, Chuji

    2016-07-30

    Breath analysis has been considered a suitable tool to evaluate diseases of the respiratory system and those that involve metabolic changes, such as diabetes. Breath acetone has long been known as a biomarker for diabetes. However, the results from published data by far have been inconclusive regarding whether breath acetone is a reliable index of diabetic screening. Large variations exist among the results of different studies because there has been no "best-practice method" for breath-acetone measurements as a result of technical problems of sampling and analysis. In this mini-review, we update the current status of our development of a laser-based breath acetone analyzer toward real-time, one-line diabetic screening and a point-of-care instrument for diabetic management. An integrated standalone breath acetone analyzer based on the cavity ringdown spectroscopy technique has been developed. The instrument was validated by using the certificated gas chromatography-mass spectrometry. The linear fittings suggest that the obtained acetone concentrations via both methods are consistent. Breath samples from each individual subject under various conditions in total, 1257 breath samples were taken from 22 Type 1 diabetic (T1D) patients, 312 Type 2 diabetic (T2D) patients, which is one of the largest numbers of T2D subjects ever used in a single study, and 52 non-diabetic healthy subjects. Simultaneous blood glucose (BG) levels were also tested using a standard diabetic management BG meter. The mean breath acetone concentrations were determined to be 4.9 ± 16 ppm (22 T1D), and 1.5 ± 1.3 ppm (312 T2D), which are about 4.5 and 1.4 times of the one in the 42 non-diabetic healthy subjects, 1.1 ± 0.5 ppm, respectively. A preliminary quantitative correlation (R = 0.56, p acetone concentration and the mean individual BG levels does exist in 20 T1D subjects with no ketoacidosis. No direct correlation is observed in T1D subjects, T2D subjects, and healthy subjects. The results

  11. Experimental results of acetone hydrogenation on a heat exchanger type reactor for solar chemical heat pump; Solar chemical heat pump ni okeru acetone suisoka hanno netsu kaishu jikken

    Energy Technology Data Exchange (ETDEWEB)

    Takashima, T; Doi, T; Tanaka, T; Ando, Y [Electrotechnical Laboratory, Tsukuba (Japan); Miyahara, R; Kamoshida, J [Shibaura Institute of Technology, Tokyo (Japan)

    1996-10-27

    With the purpose of converting solar heat energy to industrial heat energy, an experiment of acetone hydrogenation was carried out using a heat exchanger type reactor that recovers heat generated by acetone hydrogenation, an exothermic reaction, and supplies it to an outside load. In the experiment, a pellet-like activated carbon-supported ruthenium catalyst was used for the acetone hydrogenation with hydrogen and acetone supplied to the catalyst layer at a space velocity of 400-1,200 or so. In the external pipe of the double-pipe type reactor, a heating medium oil was circulated in parallel with the flow of the reactant, with the heat of reaction recovered that was generated from the acetone hydrogenation. In this experiment, an 1wt%Ru/C catalyst and a 5wt%Ru/C catalyst were used so as to examine the effects of variation in the space velocity. As a result, from the viewpoint of recovering the heat of reaction, it was found desirable to increase the reaction speed by raising catalytic density and also to supply the reactant downstream inside the reaction pipe by increasing the space velocity. 1 ref., 6 figs., 1 tab.

  12. Diagnosis by acetone for deterioration of breathing transformers containing an adsorbent in the insulating oil; Acetone ni yoru kyuchakuzai iri kaihogata hen`atsuki no keinen rekkado shindan

    Energy Technology Data Exchange (ETDEWEB)

    Awata, M.; Mizuno, K.; Ueda, T. [Chubu Electric Power Co. Ltd., Nagoya (Japan); Ota, N.; Ishii, T.; Tsukioka, H.

    1997-04-20

    The high-precision diagnosis for deterioration of a breathing transformer containing an adsorbent was investigated. An adsorbent (activated alumina) may be contained in oil to eliminate the deterioration product in insulating oil or the moisture. In this case, the deterioration component furfural in insulating paper is adsorbed. The concentration in furfural oil cannot be thus used for deterioration diagnosis. Acetone and furan with good relation between the adsorption characteristics for activated alumina and the insulating paper deterioration in an accelerated deterioration test can be effectively used as a new deterioration index component of insulating paper. The disassembly survey showed that acetone is valid as the index component of deterioration diagnosis. Furan is not detected in a breathing transformer, but effective in diaphragm-type and nitrogen-sealed transformers. The adsorption of acetone by activated alumina requires no correction for the change in oil temperature at about 10{degree}C. The solubility of acetone for insulating oil is 60 times at 20{degree}C as high as CO2, and the discharge rate from a breather is little (1/25). Therefore, acetone is much more excellent than CO2 as the precision of a deterioration index. 21 refs., 15 figs., 4 tabs.

  13. Ligands Exchange Process on Gold Nanoparticles in Acetone Solution

    Science.gov (United States)

    Hu, C. L.; Mu, Y. Y.; Bian, Z. C.; Luo, Z. H.; Luo, K.; Huang, A. Z.

    2018-05-01

    The ligands exchange process on gold nanoparticles (GNPs) was proceeded by using hydrophobic group (PPh3) and hydrophilic group (THPO) in acetone solution. The FTIR and XPS results demonstrated that part of THPO was replaced by PPh3 which was dissolved in polar solution (acetone); the results were in accordance with the electrochemical analysis where the differential capacity decreased with increasing exchange time. After 12 h, the exchange process terminated and the final ratio of PPh3 and THPO was about 1.4: 1. This ratio remained unchanged although the PPh3 and THPO modified GNPs re-dispersed in the PPh3 acetone solution demonstrating the stable adsorption of both ligands after exchanging for 12 h. The TEM images showed that the gold nanoparticles were self-assembled from scattered to arranged morphology due to the existence of hydrophilic and hydrophobic ligands and led to Janus gold nanoparticles.

  14. Acetaminophen and acetone sensing capabilities of nickel ferrite nanostructures

    Science.gov (United States)

    Mondal, Shrabani; Kumari, Manisha; Madhuri, Rashmi; Sharma, Prashant K.

    2017-07-01

    Present work elucidates the gas sensing and electrochemical sensing capabilities of sol-gel-derived nickel ferrite (NF) nanostructures based on the electrical and electrochemical properties. In current work, the choices of target species (acetone and acetaminophen) are strictly governed by their practical utility and concerning the safety measures. Acetone, the target analyte for gas sensing measurement is a common chemical used in varieties of application as well as provides an indirect way to monitor diabetes. The gas sensing experiments were performed within a homemade sensing chamber designed by our group. Acetone gas sensor (NF pellet sensor) response was monitored by tracking the change in resistance both in the presence and absence of acetone. At optimum operating temperature 300 °C, NF pellet sensor exhibits selective response for acetone in the presence of other common interfering gases like ethanol, benzene, and toluene. The electrochemical sensor fabricated to determine acetaminophen is prepared by coating NF onto the surface of pre-treated/cleaned pencil graphite electrode (NF-PGE). The common name of target analyte acetaminophen is paracetamol (PC), which is widespread worldwide as a well-known pain killer. Overdose of PC can cause renal failure even fatal diseases in children and demand accurate monitoring. Under optimal conditions NF-PGE shows a detection limit as low as 0.106 μM with selective detection ability towards acetaminophen in the presence of ascorbic acid (AA), which co-exists in our body. Use of cheap and abundant PGE instead of other electrodes (gold/Pt/glassy carbon electrode) can effectively reduce the cost barrier of such sensors. The obtained results elucidate an ample appeal of NF-sensors in real analytical applications viz. in environmental monitoring, pharmaceutical industry, drug detection, and health monitoring.

  15. An acetone bio-sniffer (gas phase biosensor) enabling assessment of lipid metabolism from exhaled breath.

    Science.gov (United States)

    Ye, Ming; Chien, Po-Jen; Toma, Koji; Arakawa, Takahiro; Mitsubayashi, Kohji

    2015-11-15

    Several volatile organic compounds (VOCs) are released from human breath or skin. Like chemical substances in blood or urine, some of these vapors can provide valuable information regarding the state of the human body. A highly sensitive acetone biochemical gas sensor (bio-sniffer) was developed and used to measure exhaled breath acetone concentration, and assess lipid metabolism based on breath acetone analysis. A fiber-optic biochemical gas sensing system was constructed by attaching a flow-cell with nicotinamide adenine dinucleotide (NADH)-dependent secondary alcohol dehydrogenase (S-ADH) immobilized membrane onto a fiber-optic NADH measurement system. The NADH measurement system utilizes an ultraviolet-light emitting diode with peak emission of 335 nm as an excitation light source. NADH is consumed by the enzymatic reaction of S-ADH, and the consumption is proportional to the concentration of acetone vapor. Phosphate buffer which contained NADH was circulated into the flow-cell to rinse products and the excessive substrates from the optode. The change of fluorescent emitted from NADH is analyzed by the PMT. Hence, fluorescence intensity decreased as the acetone concentration increased. The relationship between fluorescence intensity and acetone concentration was identified from 20 ppb to 5300 ppb. This interval included the concentration of acetone vapor in the breath of healthy people and those suffering from disorders of carbohydrate metabolism. Finally, the acetone bio-sniffer was used to measure breath acetone during an exercise stress test on an ergometer after a period of fasting. The concentration of acetone in breath was shown to significantly increase after exercise. This biosensor allows rapid, highly sensitive and selective measurement of lipid metabolism. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. Catalytic Hydrogenation of Acetone to Isopropanol: An Environmentally Benign Approach

    Directory of Open Access Journals (Sweden)

    Ateeq Rahman

    2011-01-01

    Full Text Available The catalytic hydrogenation of acetone is an important area of catalytic process to produce fine chemicals. Hydrogenation of acetone has important applications for heat pumps, fuel cells or in fulfilling the sizeable demand for the production of 2-propanol. Catalytic vapour phase hydrogenation of acetone has gained attention over the decades with variety of homogeneous catalysts notably Iridium, Rh, Ru complexes and heterogeneous catalysts comprising of Raney Nickel, Raney Sponge, Ni/Al2O3, Ni/SiO2, or Co-Al2O3, Pd, Rh, Ru, Re, or Fe/Al2O3 supported on SiO2 or MgO and even CoMgAl, NiMg Al layered double hydroxide, Cu metal, CuO, Cu2O. Nano catalysts are developed for actone reduction Ni maleate, cobalt oxide prepared in organic solvents. Author present a review on acetone hydrogenation under different conditions with various homogeneous and heterogeneous catalysts studied so far in literature and new strategies to develop economic and environmentally benign approach. ©2010 BCREC UNDIP. All rights reserved(Received: 16th June 2010, Revised: 18th October 2010; Accepted: 25th October 2010[How to Cite:Ateeq Rahman. (2010. Catalytic Hydrogenation of Acetone to Isopropanol: An Environmentally Benign Approach. Bulletin of Chemical Reaction Engineering and Catalysis, 5(2: 113-126. doi:10.9767/bcrec.5.2.798.113-126][DOI: http://dx.doi.org/10.9767/bcrec.5.2.798.113-126 || or local:  http://ejournal.undip.ac.id/index.php/bcrec/article/view/798

  17. Breath acetone to monitor life style interventions in field conditions: an exploratory study.

    Science.gov (United States)

    Samudrala, Devasena; Lammers, Gerwen; Mandon, Julien; Blanchet, Lionel; Schreuder, Tim H A; Hopman, Maria T; Harren, Frans J M; Tappy, Luc; Cristescu, Simona M

    2014-04-01

    To assess whether breath acetone concentration can be used to monitor the effects of a prolonged physical activity on whole body lipolysis and hepatic ketogenesis in field conditions. Twenty-three non-diabetic, 11 type 1 diabetic, and 17 type 2 diabetic subjects provided breath and blood samples for this study. Samples were collected during the International Four Days Marches, in the Netherlands. For each participant, breath acetone concentration was measured using proton transfer reaction ion trap mass spectrometry, before and after a 30-50 km walk on four consecutive days. Blood non-esterified free fatty acid (NEFA), beta-hydroxybutyrate (BOHB), and glucose concentrations were measured after walking. Breath acetone concentration was significantly higher after than before walking, and was positively correlated with blood NEFA and BOHB concentrations. The effect of walking on breath acetone concentration was repeatedly observed on all four consecutive days. Breath acetone concentrations were higher in type 1 diabetic subjects and lower in type 2 diabetic subjects than in control subjects. Breath acetone can be used to monitor hepatic ketogenesis during walking under field conditions. It may, therefore, provide real-time information on fat burning, which may be of use for monitoring the lifestyle interventions. Copyright © 2014 The Obesity Society.

  18. Self-Diffusion and Heteroassociation in an Acetone-Chloroform Mixture at 298 K

    Science.gov (United States)

    Golubev, V. A.; Gurina, D. L.; Kumeev, R. S.

    2018-01-01

    The self-diffusion coefficients of acetone and chloroform in a binary acetone-chloroform mixture at 298 K are determined via pulsed field gradient NMR spectroscopy. It is estimated that the hydrodynamic radii of the mixture's components, calculated using the Stokes-Einstein equation, grow as the concentrations of the components fall. It is shown that such behavior of hydrodynamic radii is due to acetone-chloroform heteroassociation. The hydrodynamic radii of monomers and heteroassociates in a 1: 1 ratio are determined along with the constant of heteroassociation, using the proposed model of an associated solution.

  19. Sodium tripolyphosphate cross-linked chitosan based sensor for enhacing sensing properties towards acetone

    Science.gov (United States)

    Nasution, T. I.; Asrosa, R.; Nainggolan, I.; Balyan, M.; Indah, R.; Wahyudi, A.

    2018-02-01

    In this report, sensing properties of sodium tripolyphosphate (TPP) cross-linked chitosan based sensor has been successfully enhanced towards acetone. Chitosan solutions were cross-linked with sodium TPP in variation of 0.1%, 0.5%, 1% and 1.5% w/v, respectively. The sensors were fabricated in film form using an electrochemical deposition method. The sensing properties of the sensors were observed by exposing the pure chitosan and sodium TPP cross-linked chitosan sensors towards acetone concentrations of 5, 10, 50, 100 and 200 ppm. The measurement results revealed that the maximum response in output voltage value of pure chitosan sensor was 0.35 V while sodium TPP crosslinked chitosan sensors were above 0.35 V towards 5 ppm acetone concentration. When the sensors were exposed towards acetone concentration of 200 ppm, the maximum response of pure chitosan was 0.45 V while sodium TPP crosslinked chitosan sensors were above 0.45 V. Amongst the variation of sodium TPP, the maximum response of 1% sodium TPP was the highest since the maximum response was 0.4 V and 0.6 V towards 5 ppm and 200 ppm acetone concentration, respectively. While the maximum responses of other sodium TPP concentrations were under 0.4 V and 0.6 V towards 5 ppm and 200 ppm acetone concentration. Moreover, 1% sodium TPP cross-linked chitosan based sensor showed good reproducibility and outstanding lifetime. Therefore, 1% sodium TPP cross-linked chitosan based sensor has exhibited remarkable sensing properties as a novel acetone sensor.

  20. Interactions of ionic liquids and acetone: thermodynamic properties, quantum-chemical calculations, and NMR analysis.

    Science.gov (United States)

    Ruiz, Elia; Ferro, Victor R; Palomar, Jose; Ortega, Juan; Rodriguez, Juan Jose

    2013-06-20

    The interactions between ionic liquids (ILs) and acetone have been studied to obtain a further understanding of the behavior of their mixtures, which generally give place to an exothermic process, mutual miscibility, and negative deviation of Raoult's law. COSMO-RS was used as a suitable computational method to systematically analyze the excess enthalpy of IL-acetone systems (>300), in terms of the intermolecular interactions contributing to the mixture behavior. Spectroscopic and COSMO-RS results indicated that acetone, as a polar compound with strong hydrogen bond acceptor character, in most cases, establishes favorable hydrogen bonding with ILs. This interaction is strengthened by the presence of an acidic cation and an anion with dispersed charge and non-HB acceptor character in the IL. COSMO-RS predictions indicated that gas-liquid and vapor-liquid equilibrium data for IL-acetone systems can be finely tuned by the IL selection, that is, acting on the intermolecular interactions between the molecular and ionic species in the liquid phase. NMR measurements for IL-acetone mixtures at different concentrations were also carried out. Quantum-chemical calculations by using molecular clusters of acetone and IL species were finally performed. These results provided additional evidence of the main role played by hydrogen bonding in the behavior of systems containing ILs and HB acceptor compounds, such as acetone.

  1. Self-Associating Behavior of Acetone in Liquid Krypton.

    Science.gov (United States)

    De Beuckeleer, Liene I; Herrebout, Wouter A

    2016-02-18

    Acetone molecules are inclined to self-associate through dipole-dipole interactions because of their large dipole moment. Infrared spectroscopy of compounds dissolved in liquid noble gases supported by high level ab initio calculations allows investigating the self-associating behavior and determining the thermodynamical properties. In this study, infrared spectra of various concentrations of acetone dissolved in liquid krypton are recorded at constant temperature. Overlapping monomer and dimer spectra are separated by analyzing the obtained data sets with numerical methods based on least-squares fitting. Although acetone is known to self-associate, only a few spectral features have been presented in literature before. In this study, the application of new numerical approaches succeeds in resolving overlapping spectra and allows observing isolated acetone dimer absorption bands for the complete mid infrared spectrum. By use of data sets of spectra recorded at temperatures between 134 and 142 K, the experimental standard dimerization enthalpy was determined to be -10.8 kJ mol(-1). MP2/aug-cc-pVDZ calculations predicted a stacked and planar dimer geometry of which the stacked geometry is more stable. Combining MP2 energies and single point corrections involving CCSD(T) calculations and complete basis set extrapolations based on the MP2/aug-cc-pVDZ equilibrium geometry lead to complexation energy of -28.4 kJ mol(-1) for the stacked geometry and -15.1 kJ mol(-1) for the planar geometry. The corresponding values for the complexation enthalpies in solution, obtained by combining these values with corrections for thermal and solvent influences are -13.7 and -5.8 kJ mol(-1).

  2. Conditioned Place Preference to Acetone Inhalation and the Effects on Locomotor Behavior and 18FDG Uptake

    Energy Technology Data Exchange (ETDEWEB)

    Pai, J.C.; Dewey, S.L.; Schiffer, W.; Lee, D.

    2006-01-01

    Acetone is a component in many inhalants that have been widely abused. While other solvents have addictive potential, such as toluene, it is unclear whether acetone alone contains addictive properties. The locomotor, relative glucose metabolism and abusive effects of acetone inhalation were studied in animals using the conditioned place preference (CPP) paradigm and [18F]2-fluorodeoxy-D-glucose (18FDG) imaging. The CPP apparatus contains two distinct conditioning chambers and a middle adaptation chamber, each lined with photocells to monitor locomotor activity. Adolescent Sprague-Dawley rats (n=16; 90-110 g) were paired with acetone in least preferred conditioning chamber, determined on the pretest day. The animals were exposed to a 10,000 ppm dose for an hour, alternating days with air. A CPP test was conducted after the 3rd, 6th and 12th pairing. In these same animals, the relative glucose metabolism effects were determined using positron emission tomography (PET) imaging with 18FDG. Following the 3rd pairing, there was a significant aversion to the acetone paired chamber (190.9 ± 13.7 sec and 241.7 ± 16.9 sec, acetone and air, respectively). After the 6th pairing, there was no significant preference observed with equal time spent in each chamber (222 ± 21 sec and 207 ± 20 sec, acetone and air-paired, respectively). A similar trend was observed after the 12th pairing (213 ± 21 sec and 221 ± 22 sec, acetone and air-paired, respectively). Locomotor analysis indicated a significant decrease (p<0.05) from air pairings to acetone pairings on the first and sixth pairings. The observed locomotor activity was characteristic of central nervous system (CNS) depressants, without showing clear abusive effects in this CPP model. In these studies, acetone vapors were not as reinforcing as other solvents, shown by overall lack of preference for the acetone paired side of the chamber. PET imaging indicated a regionally specific distribution of 18FDG uptake following

  3. Purification and Characterization of the Acetone Carboxylase of Cupriavidus metallidurans Strain CH34

    Science.gov (United States)

    Rosier, Caroline; Leys, Natalie; Henoumont, Céline; Mergeay, Max

    2012-01-01

    Acetone carboxylase (Acx) is a key enzyme involved in the biodegradation of acetone by bacteria. Except for the Helicobacteraceae family, genome analyses revealed that bacteria that possess an Acx, such as Cupriavidus metallidurans strain CH34, are associated with soil. The Acx of CH34 forms the heterohexameric complex α2β2γ2 and can carboxylate only acetone and 2-butanone in an ATP-dependent reaction to acetoacetate and 3-keto-2-methylbutyrate, respectively. PMID:22492439

  4. A fully integrated standalone portable cavity ringdown breath acetone analyzer

    Science.gov (United States)

    Sun, Meixiu; Jiang, Chenyu; Gong, Zhiyong; Zhao, Xiaomeng; Chen, Zhuying; Wang, Zhennan; Kang, Meiling; Li, Yingxin; Wang, Chuji

    2015-09-01

    Breath analysis is a promising new technique for nonintrusive disease diagnosis and metabolic status monitoring. One challenging issue in using a breath biomarker for potential particular disease screening is to find a quantitative relationship between the concentration of the breath biomarker and clinical diagnostic parameters of the specific disease. In order to address this issue, we need a new instrument that is capable of conducting real-time, online breath analysis with high data throughput, so that a large scale of clinical test (more subjects) can be achieved in a short period of time. In this work, we report a fully integrated, standalone, portable analyzer based on the cavity ringdown spectroscopy technique for near-real time, online breath acetone measurements. The performance of the portable analyzer in measurements of breath acetone was interrogated and validated by using the certificated gas chromatography-mass spectrometry. The results show that this new analyzer is useful for reliable online (online introduction of a breath sample without pre-treatment) breath acetone analysis with high sensitivity (57 ppb) and high data throughput (one data per second). Subsequently, the validated breath analyzer was employed for acetone measurements in 119 human subjects under various situations. The instrument design, packaging, specifications, and future improvements were also described. From an optical ringdown cavity operated by the lab-set electronics reported previously to this fully integrated standalone new instrument, we have enabled a new scientific tool suited for large scales of breath acetone analysis and created an instrument platform that can even be adopted for study of other breath biomarkers by using different lasers and ringdown mirrors covering corresponding spectral fingerprints.

  5. A fully integrated standalone portable cavity ringdown breath acetone analyzer.

    Science.gov (United States)

    Sun, Meixiu; Jiang, Chenyu; Gong, Zhiyong; Zhao, Xiaomeng; Chen, Zhuying; Wang, Zhennan; Kang, Meiling; Li, Yingxin; Wang, Chuji

    2015-09-01

    Breath analysis is a promising new technique for nonintrusive disease diagnosis and metabolic status monitoring. One challenging issue in using a breath biomarker for potential particular disease screening is to find a quantitative relationship between the concentration of the breath biomarker and clinical diagnostic parameters of the specific disease. In order to address this issue, we need a new instrument that is capable of conducting real-time, online breath analysis with high data throughput, so that a large scale of clinical test (more subjects) can be achieved in a short period of time. In this work, we report a fully integrated, standalone, portable analyzer based on the cavity ringdown spectroscopy technique for near-real time, online breath acetone measurements. The performance of the portable analyzer in measurements of breath acetone was interrogated and validated by using the certificated gas chromatography-mass spectrometry. The results show that this new analyzer is useful for reliable online (online introduction of a breath sample without pre-treatment) breath acetone analysis with high sensitivity (57 ppb) and high data throughput (one data per second). Subsequently, the validated breath analyzer was employed for acetone measurements in 119 human subjects under various situations. The instrument design, packaging, specifications, and future improvements were also described. From an optical ringdown cavity operated by the lab-set electronics reported previously to this fully integrated standalone new instrument, we have enabled a new scientific tool suited for large scales of breath acetone analysis and created an instrument platform that can even be adopted for study of other breath biomarkers by using different lasers and ringdown mirrors covering corresponding spectral fingerprints.

  6. Change of Exhaled Acetone Concentration in a Diabetic Patient with Acute Decompensated Heart Failure.

    Science.gov (United States)

    Yokokawa, Tetsuro; Ichijo, Yasuhiro; Houtsuki, Yu; Matsumoto, Yoshiyuki; Oikawa, Masayoshi; Yoshihisa, Akiomi; Sugimoto, Koichi; Nakazato, Kazuhiko; Suzuki, Hitoshi; Saitoh, Shu-Ichi; Shimouchi, Akito; Takeishi, Yasuchika

    2017-10-21

    In heart failure patients, exhaled acetone concentration, a noninvasive biomarker, is increased according to heart failure severity. Moreover, exhaled acetone concentration is also known to be affected by diabetes mellitus. However, there have been no reports on exhaled acetone concentration in heart failure patients with diabetes mellitus. A 77-year old man was admitted to our hospital with acute decompensated heart failure and atrioventricular block. He had controlled diabetes mellitus under insulin treatment with hemoglobin A1c of 6.5%. He underwent treatment of diuretics and permanent pacemaker implantation. His condition improved and he was discharged at Day 12. Due to the heart failure improvement, his levels of exhaled acetone concentration decreased from 1.623 ppm at admission to 0.664 ppm at discharge. This is the first report to reveal a change of exhaled acetone concentration in a diabetic patient with acute decompensated heart failure.

  7. Sensing behavior of acetone vapors on TiO_2 nanostructures — application of density functional theory

    Directory of Open Access Journals (Sweden)

    V. Nagarajan

    2017-12-01

    Full Text Available The electronic properties of TiO_2 nanostructure are explored using density functional theory. The adsorption properties of acetone on TiO_2 nanostructure are studied in terms of adsorption energy, average energy gap variation and Mulliken charge transfer. The density of states spectrum and the band structure clearly reveals the adsorption of acetone on TiO_2 nanostructures. The variation in the energy gap and changes in the density of charge are observed upon adsorption of acetone on n-type TiO_2 base material. The results of DOS spectrum reveal that the transfer of electrons takes place between acetone vapor and TiO_2 base material. The findings show that the adsorption property of acetone is more favorable on TiO_2 nanostructure. Suitable adsorption sites of acetone on TiO_2 nanostructure are identified at atomistic level. From the results, it is confirmed that TiO_2 nanostructure can be efficiently utilized as a sensing element for the detection of acetone vapor in a mixed environment.

  8. (Ternary liquid + liquid) equilibria for (water + acetone + α-pinene, or β-pinene, or limonene) mixtures

    International Nuclear Information System (INIS)

    Li Xiaoli; Tamura, Kazuhiro

    2010-01-01

    (Ternary liquid + liquid) equilibria (tie-lines) of (water + acetone + α-pinene) at T = (288.15, 298.15, and 308.15) K and (water + acetone + β-pinene, or limonene) at T = 298.15 K have been measured. The experimental (ternary liquid + liquid) equilibrium data have been correlated successfully by the original UNIQUAC and modified UNIQUAC models. The modified UNIQUAC model reproduced accurately the experimental results for the (water + acetone + α-pinene) system at all the temperatures but fairly agreed with the experimental data for the (water + acetone + β-pinene, or limonene) systems.

  9. A two-stage combined trickle bed reactor/biofilter for treatment of styrene/acetone vapor mixtures.

    Science.gov (United States)

    Vanek, Tomas; Halecky, Martin; Paca, Jan; Zapotocky, Lubos; Gelbicova, Tereza; Vadkertiova, Renata; Kozliak, Evguenii; Jones, Kim

    2015-01-01

    Performance of a two-stage biofiltration system was investigated for removal of styrene-acetone mixtures. High steady-state acetone loadings (above C(in)(Ac) = 0.5 g.m(-3) corresponding to the loadings > 34.5 g.m(-3).h(-1)) resulted in a significant inhibition of the system's performance in both acetone and styrene removal. This inhibition was shown to result from the acetone accumulation within the upstream trickle-bed bioreactor (TBR) circulating mineral medium, which was observed by direct chromatographic measurements. Placing a biofilter (BF) downstream to this TBR overcomes the inhibition as long as the biofilter has a sufficient bed height. A different kind of inhibition of styrene biodegradation was observed within the biofilter at very high acetone loadings (above C(in)(Ac) = 1.1 g.m(-3) or 76 g.m(-3).h(-1) loading). In addition to steady-state measurements, dynamic tests confirmed that the reactor overloading can be readily overcome, once the accumulated acetone in the TBR fluids is degraded. No sizable metabolite accumulation in the medium was observed for either TBR or BF. Analyses of the biodegradation activities of microbial isolates from the biofilm corroborated the trends observed for the two-stage biofiltration system, particularly the occurrence of an inhibition threshold by excess acetone.

  10. Skin barrier disruption by acetone: observations in a hairless mouse skin model

    NARCIS (Netherlands)

    Rissmann, R.; Oudshoorn, M.H.M.; Hennink, W.E.; Ponec, M.; Bouwstra, J.A.

    2009-01-01

    To disrupt the barrier function of the skin, different in vivo methods have been established, e.g., by acetone wiping or tape-stripping. In this study, the acetone-induced barrier disruption of hairless mice was investigated in order to establish a reliable model to study beneficial, long-term

  11. Effect of acetone accumulation on structure and dynamics of lipid membranes studied by molecular dynamics simulations.

    Science.gov (United States)

    Posokhov, Yevgen O; Kyrychenko, Alexander

    2013-10-01

    The modulation of the properties and function of cell membranes by small volatile substances is important for many biomedical applications. Despite available experimental results, molecular mechanisms of action of inhalants and organic solvents, such as acetone, on lipid membranes remain not well understood. To gain a better understanding of how acetone interacts with membranes, we have performed a series of molecular dynamics (MD) simulations of a POPC bilayer in aqueous solution in the presence of acetone, whose concentration was varied from 2.8 to 11.2 mol%. The MD simulations of passive distribution of acetone between a bulk water phase and a lipid bilayer show that acetone favors partitioning into the water-free region of the bilayer, located near the carbonyl groups of the phospholipids and at the beginning of the hydrocarbon core of the lipid membrane. Using MD umbrella sampling, we found that the permeability barrier of ~0.5 kcal/mol exists for acetone partitioning into the membrane. In addition, a Gibbs free energy profile of the acetone penetration across a bilayer demonstrates a favorable potential energy well of -3.6 kcal/mol, located at 15-16Å from the bilayer center. The analysis of the structural and dynamics properties of the model membrane revealed that the POPC bilayer can tolerate the presence of acetone in the concentration range of 2.8-5.6 mol%. The accumulation of the higher acetone concentration of 11.2 mol% results, however, in drastic disordering of phospholipid packing and the increase in the membrane fluidity. The acetone molecules push the lipid heads apart and, hence, act as spacers in the headgroup region. This effect leads to the increase in the average headgroup area per molecule. In addition, the acyl tail region of the membrane also becomes less dense. We suggest, therefore, that the molecular mechanism of acetone action on the phospholipid bilayer has many common features with the effects of short chain alcohols, DMSO, and

  12. Combustion synthesized hierarchically porous WO{sub 3} for selective acetone sensing

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Chengjun; Liu, Xu; Guan, Hongtao; Chen, Gang; Xiao, Xuechun [Department of Materials Science and Engineering, Yunnan University, 650091, Kunming (China); Djerdj, Igor [Ruđer Bošković Institute, Bijenička 54, 10000, Zagreb (Croatia); Wang, Yude, E-mail: ydwang@ynu.edu.cn [Department of Materials Science and Engineering, Yunnan University, 650091, Kunming (China); Yunnan Province Key Lab of Mico-Nano Materials and Technology, Yunnan University, 650091, Kunming (China)

    2016-12-01

    An easy, inexpensive combustion route was designed to synthesize hierarchically porous WO{sub 3}. The tungsten source was fresh peroxiotungstic acid by dissolving tungsten powder into hydrogen peroxide. To promote the combustion reaction, a combined fuel of both glycine and hydrazine hydrate was used. The microstructure was well-connected pores comprised of subunit nanoparticles. Upon exposing towards acetone gas, the porous WO{sub 3} based sensor exhibits high gas response, rapid response and recovery, and good selectivity in the range of 5–1000 ppm under working temperature of 300 °C. This excellent sensing performance was plausibly attributed to the porous morphology, which hence provides more active sites for the gas molecules' reaction. - Graphical abstract: Hierarchically porous WO{sub 3} synthesized by combustion process exhibits high gas response, rapid response and recovery, and excellent selectivity for acetone, making it to be promising candidates for practical detectors for acetone. - Highlights: • Hierarchically porous WO{sub 3} synthesized by combustion process. • Hierarchically porous WO{sub 3} exhibits high gas response and excellent selectivity for acetone. • The excellent sensing property was plausibly attributed to the porous morphology.

  13. Gadolinium-, Calcium-, copper- and zirc complexes with riboflavin in acetone and acetonitrile

    International Nuclear Information System (INIS)

    Lugina, L.N.; Romanenko, V.I.; Davidenko, N.K.

    1983-01-01

    Using the methods of solubility and spectrophotometry, stability copstants Of complexes RFMSSUp(n+) (RF=riboflavin, Mnsup(n+)=Cdsup(3+), Ca 2+ , Cu 2+ and Zn 2+ ) in acetone and acetonitrile against the background of 1 mol/l LiClO 4 x3H 2 O have been determined. It was found that stability of copper and zinc complexes with riboflavin in acetone is higher than in acetonitrile, whereas the stability of gadolinium and calcium complexes, on the contrary, is higher in acetonitrile than in acetone. It is shown that the character of the absorption spectrum change of riboflavin in complexing with metal ions depends on the nature of coordinating cation

  14. Application of finite inverse gas chromatography in hypromellose acetate succinate-water-acetone systems.

    Science.gov (United States)

    Chiu, Sheng-Wei; Sturm, Derek R; Moser, Justin D; Danner, Ronald P

    2016-09-30

    A modification of a GC was developed to investigate both infinitely dilute and finite concentrations of solvents in polymers. Thermodynamic properties of hypromellose acetate succinate (HPMCAS-L)-acetone-water systems are important for the optimization of spray-drying processes used in pharmaceutical manufacturing of solid dispersion formulations. These properties, at temperatures below the glass transition temperature, were investigated using capillary column inverse gas chromatography (CCIGC). Water was much less soluble in the HPMCAS-L than acetone. Experiments were also conducted at infinitely dilute concentrations of one of the solvents in HPMCAS-L that was already saturated with the other solvent. Overall the partitioning of the water was not significantly affected by the presence of either water or acetone in the polymer. The acetone partition coefficient decreased as either acetone or water was added to the HPMCAS-L. A representation of the HPMCAS-L structure in terms of UNIFAC groups has been developed. With these groups, the UNIFAC-vdw-FV model did a reasonable job of predicting the phase equilibria in the binary and ternary systems. The Flory-Huggins correlation with fitted interaction parameters represented the data well. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Determination of residual acetone and acetone related impurities in drug product intermediates prepared as Spray Dried Dispersions (SDD) using gas chromatography with headspace autosampling (GCHS).

    Science.gov (United States)

    Quirk, Emma; Doggett, Adrian; Bretnall, Alison

    2014-08-05

    Spray Dried Dispersions (SDD) are uniform mixtures of a specific ratio of amorphous active pharmaceutical ingredient (API) and polymer prepared via a spray drying process. Volatile solvents are employed during spray drying to facilitate the formation of the SDD material. Following manufacture, analytical methodology is required to determine residual levels of the spray drying solvent and its associated impurities. Due to the high level of polymer in the SDD samples, direct liquid injection with Gas Chromatography (GC) is not a viable option for analysis. This work describes the development and validation of an analytical approach to determine residual levels of acetone and acetone related impurities, mesityl oxide (MO) and diacetone alcohol (DAA), in drug product intermediates prepared as SDDs using GC with headspace (HS) autosampling. The method development for these analytes presented a number of analytical challenges which had to be overcome before the levels of the volatiles of interest could be accurately quantified. GCHS could be used after two critical factors were implemented; (1) calculation and application of conversion factors to 'correct' for the reactions occurring between acetone, MO and DAA during generation of the headspace volume for analysis, and the addition of an equivalent amount of polymer into all reference solutions used for quantitation to ensure comparability between the headspace volumes generated for both samples and external standards. This work describes the method development and optimisation of the standard preparation, the headspace autosampler operating parameters and the chromatographic conditions, together with a summary of the validation of the methodology. The approach has been demonstrated to be robust and suitable to accurately determine levels of acetone, MO and DAA in SDD materials over the linear concentration range 0.008-0.4μL/mL, with minimum quantitation limits of 20ppm for acetone and MO, and 80ppm for DAA. Copyright

  16. Oscillatory bromate-oxalic acid-Ce-acetone-sulfuric acid reaction, in CSTR

    International Nuclear Information System (INIS)

    Pereira, Janaina A.M.; Faria, Roberto B.

    2004-01-01

    Periodic oscillations were observed for the first time, in a CSTR, in the system bromate-oxalic acid-Ce(IV)-acetone-sulfuric acid, in a CSTR. A reaction between Ce(IV) and acetone, until now not described in the literature and occurring before the addition of the reagents to the reactor, was identified as a decisive factor for the appearing of the regular oscillations. (author)

  17. Kinetic features of cadmium electrodeposition in iodide water-acetone electrolytes

    International Nuclear Information System (INIS)

    Kuznetsov, V.V.; Skibina, L.M.; Khalikov, R.R.

    2006-01-01

    Based on the data of chronopotentiometric, galvanostatic, potentiodynamic, and impedance measurements, the composition of aqueous acetone electrolyte is studied for its effect on the rate of cadmium(II) electroreduction in iodide media. The adsorption of I - ions on the cadmium cathode surface is shown to depend on the interaction mechanism between the components of water-acetone mixtures. During a competitive adsorption of anions and organic solvent molecules, this affects the mechanism and the rate of electrodeposition and also the coating quality [ru

  18. Thermodynamic analysis of acetone sensing in Pd/AlGaN/GaN heterostructure Schottky diodes at low temperatures

    International Nuclear Information System (INIS)

    Das, Subhashis; Majumdar, Shubhankar; Kumar, Rahul; Ghosh, Saptarsi; Biswas, Dhrubes

    2016-01-01

    An AlGaN/GaN heterostructure based metal–semiconductor–metal symmetrically bi-directional Schottky diode sensor structure has been employed to investigate acetone sensing and to analyze thermodynamics of acetone adsorption at low temperatures. The AlGaN/GaN heterostructure has been grown by plasma-assisted molecular beam epitaxy on Si (111). Schottky diode parameters at different temperatures and acetone concentrations have been extracted from I–V characteristics. Sensitivity and change in Schottky barrier height have been studied. Optimum operating temperature has been established. Coverage of acetone adsorption sites at the AlGaN surface and the effective equilibrium rate constant of acetone adsorption have been explored to determine the endothermic nature of acetone adsorption enthalpy.

  19. (Liquid + liquid) equilibria for (water + 1-propanol or acetone + β-citronellol) at different temperatures

    International Nuclear Information System (INIS)

    Li, Hengde; Han, Yongtao; Huang, Cheng; Yang, Chufen

    2015-01-01

    Graphical abstract: (Liquid + liquid) equilibrium data for systems composed of β-citronellol and aqueous 1-propanol or acetone are presented. Distribution ratios of 1-propanol and acetone in the mixtures are examined. The effect of the temperature on the ternary (liquid + liquid) equilibria is evaluated and discussed. - Highlights: • Ternary (liquid + liquid) equilibria containing β-citronellol are presented. • Distribution ratios of 1-propanol and acetone in the mixtures are examined. • The effect on the temperature of the systems is evaluated and discussed. - Abstract: On this paper, experimental (liquid + liquid) equilibrium (LLE) results are presented for systems composed of β-citronellol and aqueous 1-propanol or acetone. To evaluate the phase separation properties of β-citronellol in aqueous mixtures, LLE values for the ternary systems (water + 1-propanol + β-citronellol) and (water + acetone + β-citronellol) were determined with a tie-line method at T = (283.15, 298.15, and 313.15 ± 0.02) K and atmospheric pressure. The reliability of the experimental tie-lines was verified by the Hand and Bachman equations. Ternary phase diagrams, distribution ratios of 1-propanol and acetone in the mixtures are shown. The effect of the temperature on the ternary (liquid + liquid) equilibria was examined and discussed. The experimental LLE values were satisfactorily correlated by extended UNIQUAC and modified UNIQUAC models

  20. Photodissociation of the acetone cation at 355 nm using the velocity imaging technique

    Science.gov (United States)

    Jackson, William M.; Xu, Dadong

    2000-09-01

    Photodissociation of acetone cations, CH3COCH3+, at 355 nm has been studied by means of the ion velocity imaging technique. Acetone cations are produced via direct photoionization of a supersonic beam of acetone at 118 nm generated by frequency tripling the 355 nm laser. Only the acetyl cation, CH3CO+, could be detected as a dissociation product in the time-of-flight mass spectrometer. The acetyl ion signal depends upon the fifth power of the 355 nm laser energy, while the acetone ion signal depends upon the third power. This suggests that the fragment ion is produced via two-photon absorption of 355 nm photons by the acetone cation. The total translational energy distribution and angular distribution of acetyl cation were derived from the 2D images of CH3CO+ for the reaction CH3COCH3++2hν355nm→CH3CO++CH3*. The translational energy distribution suggests that methyl radicals are produced in two electronically excited states, the Rydberg 3s 1 2A1' and the valence 1 2A″ states. The anisotropy parameter β shows that the Rydberg state is formed via a perpendicular excitation and the valence state via a parallel transition.

  1. Poly aniline Nano fiber as Modified Cladding for Optical Fiber Sensor to Detect Acetone Vapor

    International Nuclear Information System (INIS)

    Akhiruddin maddu; Ahmad aminuddin; Setyanto Tri Wahyudi; Hamdani Zain

    2008-01-01

    In this research, we used poly aniline nano fiber as modified cladding material for a fiber optic sensor system to detect the acetone vapor. The sensor was designed based on variation of evanescent field absorption on the core-modified cladding interface when exposed with varied acetone vapor. Poly aniline nano fiber synthesized by interfacial polymerization was coated onto the un-cladded core and acts as sensing element. Response of the fiber optic sensor was investigated by measuring the transmission light intensity via fiber optic sensor system while exposed with acetone vapor. Based on the sensor response curve, it is obtained a very fast response time of 30 s and recovery time of 10 s. The fiber optic sensor also exhibits a good reversibility and repeatability. Sensitivity of the sensor to variation of acetone vapor pressure was obtained 1.25 %/mmHg, that means the transmission intensity of the sensor changes 1.25 % for acetone vapor change of 1 mmHg. (author)

  2. Y-Doped ZnO Nanorods by Hydrothermal Method and Their Acetone Gas Sensitivity

    Directory of Open Access Journals (Sweden)

    Peng Yu

    2013-01-01

    Full Text Available Pure and yttrium- (Y- doped (1 at%, 3 at%, and 7 at% ZnO nanorods were synthesized using a hydrothermal process. The crystallography and microstructure of the synthesized samples were characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM, and energy dispersive X-ray spectroscopy (EDX. Comparing with pure ZnO nanorods, Y-doped ZnO exhibited improved acetone sensing properties. The response of 1 at% Y-doped ZnO nanorods to 100 ppm acetone is larger than that of pure ZnO nanorods. The response and recovery times of 1 at% Y-doped ZnO nanorods to 100 ppm acetone are about 30 s and 90 s, respectively. The gas sensor based on Y-doped ZnO nanorods showed good selectivity to acetone in the interfere gases of ammonia, benzene, formaldehyde, toluene, and methanol. The formation mechanism of the ZnO nanorods was briefly analyzed.

  3. Upper Bound for Neutron Emission from Sonoluminescing Bubbles in Deuterated Acetone

    International Nuclear Information System (INIS)

    Camara, C. G.; Putterman, S. J.; Hopkins, S. D.; Suslick, K. S.

    2007-01-01

    An experimental search for nuclear fusion inside imploding bubbles of degassed deuterated acetone at 0 degree sign C driven by a 15 atm sound field and seeded with a neutron generator reveals an upper bound that is a factor of 10 000 less than the signal reported by Taleyarkhan et al. The strength of our upper bound is limited by the weakness of sonoluminescence, which we ascribe to the relatively high vapor pressure of acetone

  4. Damages induced in lambda phage DNA by enzyme-generated triplet acetone

    International Nuclear Information System (INIS)

    Menck, C.F.; Cabral Neto, J.B.; Gomes, R.A.; Faljoni-Alario, A.

    1985-01-01

    Exposure of lambda phage to triplet acetone, generated during the aerobic oxidation of isobutanal by peroxidase, leads to genome lesions. The majority of these lesions are detected as DNA single-strand breaks only in alkaline conditions, so true breaks were not observed. Also, no sites sensitive to UV-endonuclease from Micrococcus luteus were found in DNA from treated phage. The participation of triplet acetone in the generation of such DNA damage is discussed. (Author) [pt

  5. Pyrolysis and liquefaction of acetone and mixed acetone/ tetralin swelled Mukah Balingian Malaysian sub-bituminous coal-The effect on coal conversion and oil yield

    International Nuclear Information System (INIS)

    Mohd Pauzi Abdullah; Mohd Azlan Mohd Ishak; Khudzir Ismail

    2008-01-01

    The effect of swelling on Mukah Balingian (MB) Malaysian sub-bituminous coal macrostructure was observed by pyrolysing the swelled coal via thermogravimetry under nitrogen at ambient pressure. The DTG curves of the pyrolyzed swelled coal samples show the presence of evolution peaks at temperature ranging from 235 - 295 degree Celsius that are due to releasing of light molecular weight hydrocarbons. These peaks, however, were not present in the untreated coal, indicating some changes in the coal macrostructure has occurred in the swelled coal samples. The global pyrolysis kinetics for coal that follows the first-order decomposition reaction was used to evaluate the activation energy of the pyrolyzed untreated and swelled coal samples. The results thus far have shown that the activation energy for the acetone and mixed acetone/ tetralin-swelled coal samples exhibit lower values than untreated coal, indicating less energy is required during the pyrolysis process due to the weakening of the coal-coal macromolecular interaction network. Moreover, liquefaction on the swelled coal samples that was carried out at temperatures ranging from 360 to 450 degree Celsius at 4 MPa of nitrogen pressure showed the enhancement of the coal conversion and oil yield at temperature of 420 degree Celsius, with retrogressive reaction started to dominate at higher temperature as indicated by decreased and increased in oil yield and high molecular weight pre-asphaltene, respectively. These observations suggest that the solvent swelling pre-treatment using acetone and mixed acetone/ tetralin can improve the coal conversion and oil yields at less severe liquefaction condition. (author)

  6. Mobility and molecular ions of dimethyl methyl phosphonate, methyl salicylate and acetone

    Science.gov (United States)

    Nowak, D. M.

    1983-06-01

    The mobilities of positive and negative reactant ions are reported for (H2O)nH(+); (H2O)2O2 and (H2O)2CO3(-) ion clusters. The formation of positive DMMP monomer and dimer is reported, and equilbria molecular reactions are reported. Acetone is reported as forming a dimer at 81 ppb with a reduced mobility (K sub o) of 1.82, Methyl salicylate is shown to form a protonated and hydrated positive monomer. Mixtures of DMMP and methyl salicylate with acetone showed a substantial change in DMMP ion clustering and little or no change in the methyl salicylate mobility spectra. Negative ions were not observed for DMMP, methyl salicylate, acetone and the mixtures under the conditions reported.

  7. Ultratrace Measurement of Acetone from Skin Using Zeolite: Toward Development of a Wearable Monitor of Fat Metabolism.

    Science.gov (United States)

    Yamada, Yuki; Hiyama, Satoshi; Toyooka, Tsuguyoshi; Takeuchi, Shoji; Itabashi, Keiji; Okubo, Tatsuya; Tabata, Hitoshi

    2015-08-04

    Analysis of gases emitted from human skin and contained in human breath has received increasing attention in recent years for noninvasive clinical diagnoses and health checkups. Acetone emitted from human skin (skin acetone) should be a good indicator of fat metabolism, which is associated with diet and exercise. However, skin acetone is an analytically challenging target because it is emitted in very low concentrations. In the present study, zeolite was investigated for concentrating skin acetone for subsequent semiconductor-based analysis. The adsorption and desorption characteristics of five zeolites with different structures and those hydrophobicities were compared. A hydrophobic zeolite with relatively large pores (approximately 1.6 times larger than the acetone molecule diameter) was the best concentrator of skin acetone among the zeolites tested. The concentrator developed using zeolite was applied in a semiconductor-based gas sensor in a simulated mobile environment where the closed space was frequently collapsed to reflect the twisting and elastic movement of skin that would be encountered in a wearable device. These results could be used to develop a wearable analyzer for skin acetone, which would be a powerful tool for preventing and alleviating lifestyle-related diseases.

  8. Biofiltration of mixtures of gas-phase styrene and acetone with the fungus Sporothrix variecibatus

    International Nuclear Information System (INIS)

    Rene, Eldon R.; Spackova, Radka; Veiga, Maria C.; Kennes, Christian

    2010-01-01

    The biodegradation performance of a biofilter, inoculated with the fungus Sporothrix variecibatus, to treat gas-phase styrene and acetone mixtures under steady-state and transient conditions was evaluated. Experiments were carried out by varying the gas-flow rates (0.05-0.4 m 3 h -1 ), leading to empty bed residence times as low as 17.1 s, and by changing the concentrations of gas-phase styrene (0.01-6.3 g m -3 ) and acetone (0.01-8.9 g m -3 ). The total elimination capacities were as high as 360 g m -3 h -1 , with nearly 97.5% removal of styrene and 75.6% for acetone. The biodegradation of acetone was inhibited by the presence of styrene, while styrene removal was affected only slightly by the presence of acetone. During transient-state experiments, increasing the overall pollutant load by almost 3-fold, i.e., from 220 to 600 g m -3 h -1 , resulted in a sudden drop of removal efficiency (>90-70%), but still high elimination capacities were maintained. Periodic microscopic observations revealed that the originally inoculated Sporothrix sp. remained present in the reactor and actively dominant in the biofilm.

  9. Study of the exhaled acetone in type 1 diabetes using quantum cascade laser spectroscopy.

    Science.gov (United States)

    Reyes-Reyes, Adonis; Horsten, Roland C; Urbach, H Paul; Bhattacharya, Nandini

    2015-01-06

    The acetone concentration exhaled in the breath of three type 1 diabetes patients (two minors and one adult) and one healthy volunteer is studied using a quantum cascade laser-based spectroscopic system. Using the acetone signature between 1150 and 1250 cm(-1) and a multiline fitting method, the concentration variations on the order of parts per billion by volume were measured. Blood glucose and ketone concentrations in blood measurements were performed simultaneously to study their relation with acetone in exhaled breath. We focus on personalized studies to better understand the role of acetone in diabetes. For each volunteer, we performed a series of measurements over a period of time, including overnight fastings of 11 ± 1 h and during ketosis-hyperglycemia events for the minors. Our results highlight the importance of performing personalized studies because the response of the minors to the presence of ketosis was consistent but unique for each individual. Also, our results emphasize the need for performing more studies with T1D minors, because the acetone concentration in the breath of the minors differs, with respect to those reported in the literature, which are based on adults.

  10. Solvents (butanol, acetone, and ethanol). [USSR Patent

    Energy Technology Data Exchange (ETDEWEB)

    Yarovenko, V L; Nakhmanovich, B M

    1963-07-17

    The method involves use of carbohydrate-containing plant raw-material, e.g. hydrolyzates of corn cob and pulp. The material is subjected to fermentation with acetone-butanol bacteria with addition of starch-industry wastes as source of proteins (gluten and gluten-containing water) and nutrient salts.

  11. Profiling and relative quantification of phosphatidylethanolamine based on acetone stable isotope derivatization

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiang [Oil Crops Research Institute of the Chinese Academy of Agricultural Sciences, Key Laboratory of Biology and Genetic Improvement of Oil Crops, Ministry of Agriculture (China); Hubei Key Laboratory of Lipid Chemistry and Nutrition (China); Wei, Fang, E-mail: willasa@163.com [Oil Crops Research Institute of the Chinese Academy of Agricultural Sciences, Key Laboratory of Biology and Genetic Improvement of Oil Crops, Ministry of Agriculture (China); Hubei Key Laboratory of Lipid Chemistry and Nutrition (China); Xu, Ji-qu; Lv, Xin; Dong, Xu-yan [Oil Crops Research Institute of the Chinese Academy of Agricultural Sciences, Key Laboratory of Biology and Genetic Improvement of Oil Crops, Ministry of Agriculture (China); Hubei Key Laboratory of Lipid Chemistry and Nutrition (China); Han, Xianlin [Center for Metabolic Origins of Disease, Sanford Burnham Prebys Medical Discovery Institute, Orlando, FL 32827 (United States); College of Basic Medical Sciences, Zhejiang Chinese Medical University, 548 Bingwen Road, Hangzhou, Zhejiang 310053 (China); Quek, Siew-young [School of Chemical Science, The University of Auckland, Auckland 1142 (New Zealand); Huang, Feng-hong [Oil Crops Research Institute of the Chinese Academy of Agricultural Sciences, Key Laboratory of Biology and Genetic Improvement of Oil Crops, Ministry of Agriculture (China); Hubei Key Laboratory of Lipid Chemistry and Nutrition (China); Chen, Hong, E-mail: chenhong@oilcrops.cn [Oil Crops Research Institute of the Chinese Academy of Agricultural Sciences, Key Laboratory of Biology and Genetic Improvement of Oil Crops, Ministry of Agriculture (China); Hubei Key Laboratory of Lipid Chemistry and Nutrition (China)

    2016-01-01

    Phosphatidylethanolamine (PE) is considered to be one of the pivotal lipids for normal cellular function as well as disease initiation and progression. In this study, a simple, efficient, reliable, and inexpensive method for the qualitative analysis and relative quantification of PE, based on acetone stable isotope derivatization combined with double neutral loss scan-shotgun electrospray ionization tandem-quadrupole mass spectrometry analysis (ASID-DNLS-Shotgun ESI-MS/MS), was developed. The ASID method led to alkylation of the primary amino groups of PE with an isopropyl moiety. The use of acetone (d{sub 0}-acetone) and deuterium-labeled acetone (d{sub 6}-acetone) introduced a 6 Da mass shift that was ideally suited for relative quantitative analysis, and enhanced sensitivity for mass analysis. The DNLS model was introduced to simultaneously analyze the differential derivatized PEs by shotgun ESI-MS/MS with high selectivity and accuracy. The reaction specificity, labeling efficiency, and linearity of the ASID method were thoroughly evaluated in this study. Its excellent applicability was validated by qualitative and relative quantitative analysis of PE species presented in liver samples from rats fed different diets. Using the ASID-DNLS-Shotgun ESI-MS/MS method, 45 PE species from rat livers have been identified and quantified in an efficient manner. The level of total PEs tended to decrease in the livers of rats on high fat diets compared with controls. The levels of PE 32:1, 34:3, 34:2, 36:3, 36:2, 42:10, plasmalogen PE 36:1 and lyso PE 22:6 were significantly reduced, while levels of PE 36:1 and lyso PE 16:0 increased. - Highlights: • A novel isotope reagent acetone was explored for the derivatization of PEs. • The labeling reaction was carried out under mild conditions with high specificity. • Enhanced detection sensitivity of PEs was achieved after derivatization. • The ASID-DNLS-Shotgun MS/MS method was used to relative quantification of PEs.

  12. Free energy of mixing of acetone and methanol: a computer simulation investigation.

    Science.gov (United States)

    Idrissi, Abdenacer; Polok, Kamil; Barj, Mohammed; Marekha, Bogdan; Kiselev, Mikhail; Jedlovszky, Pál

    2013-12-19

    The change of the Helmholtz free energy, internal energy, and entropy accompanying the mixing of acetone and methanol is calculated in the entire composition range by the method of thermodynamic integration using three different potential model combinations of the two compounds. In the first system, both molecules are described by the OPLS, and in the second system, both molecules are described by the original TraPPE force field, whereas in the third system a modified version of the TraPPE potential is used for acetone in combination with the original TraPPE model of methanol. The results reveal that, in contrast with the acetone-water system, all of these three model combinations are able to reproduce the full miscibility of acetone and methanol, although the thermodynamic driving force of this mixing is very small. It is also seen, in accordance with the finding of former structural analyses, that the mixing of the two components is driven by the entropy term corresponding to the ideal mixing, which is large enough to overcompensate the effect of the energy increase and entropy loss due to the interaction of the unlike components in the mixtures. Among the three model combinations, the use of the original TraPPE model of methanol and modified TraPPE model of acetone turns out to be clearly the best in this respect, as it is able to reproduce the experimental free energy, internal energy, and entropy of mixing values within 0.15 kJ/mol, 0.2 kJ/mol, and 1 J/(mol K), respectively, in the entire composition range. The success of this model combination originates from the fact that the use of the modified TraPPE model of acetone instead of the original one in these mixtures improves the reproduction of the entropy of mixing, while it retains the ability of the original model of excellently reproducing the internal energy of mixing.

  13. Brief Communication: Comparison of formol-acetone concentration ...

    African Journals Online (AJOL)

    Background: Formol-ether concentration technique is taken as a gold standard method to detect most intestinal parasites; however, because of its low safety and hazardous impact a need for better technique has a paramount importance. Objective: To evaluate a formol- acetone concentration method in comparison with the ...

  14. Dielectric barrier discharge micro-plasma emission spectrometry for the detection of acetone in exhaled breath.

    Science.gov (United States)

    Yang, Ting; Gao, Dong-Xue; Yu, Yong-Liang; Chen, Ming-Li; Wang, Jian-Hua

    2016-01-01

    Acetone is a predominant volatile organic compound (VOC) in the exhaled breath and a promising biomarker for diabetes and ketoacidosis. A non-thermal micro-plasma generated in a planar dielectric barrier discharge (DBD) is used as a radiation source for the excitation of gaseous acetone followed by its quantification with optical emission spectrometry (OES). Gaseous acetone can be directly sampled, while liquid acetone is evaporated by heated tungsten coil and then introduced into the DBD micro-plasma by a helium carrier flow for performing optical emission and detection at a 519 nm emission line. In the present study, the exhaled breath is collected and transferred into aqueous medium for sampling. With a sampling volume of 7 μL in a micro-drop, a linear range of 40-1600 mg L(-1) is obtained along with a detection limit of 44 ng and a precision of 5.7% RSD. The present system is successfully applied to the determination of breath acetone for both diabetic patients and healthy volunteers. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Involvement of an ATP-dependent carboxylase in a CO2-dependent pathway of acetone metabolism by Xanthobacter strain Py2.

    OpenAIRE

    Sluis, M K; Small, F J; Allen, J R; Ensign, S A

    1996-01-01

    The metabolism of acetone by the aerobic bacterium Xanthobacter strain Py2 was investigated. Cell suspensions of Xanthobacter strain Py2 grown with propylene or glucose as carbon sources were unable to metabolize acetone. The addition of acetone to cultures grown with propylene or glucose resulted in a time-dependent increase in acetone-degrading activity. The degradation of acetone by these cultures was prevented by the addition of rifampin and chloramphenicol, demonstrating that new protein...

  16. Acetone production using silicon nanoparticles and catalyst compositions

    KAUST Repository

    Chaieb, Saharoui; Demellawi, Jehad El; Al-Talla, Zeyad

    2015-01-01

    Embodiments of the present disclosure provide for a catalytic reaction to produce acetone, a catalyst that include a mixture of silicon particles (e.g., about 1 to 20 nm in diameter) and a solvent, and the like.

  17. Acetone production using silicon nanoparticles and catalyst compositions

    KAUST Repository

    Chaieb, Sahraoui

    2015-12-10

    Embodiments of the present disclosure provide for a catalytic reaction to produce acetone, a catalyst that include a mixture of silicon particles (e.g., about 1 to 20 nm in diameter) and a solvent, and the like.

  18. Relationship of O2 Photodesorption in Photooxidation of Acetone on TiO2

    International Nuclear Information System (INIS)

    Henderson, Michael A.

    2008-01-01

    Organic photooxidation on TiO2 invariably involves the coexistence of organic species with oxygen on the surface at the same time. In the case of acetone and oxygen, both species exhibit their own interesting photochemistry on TiO2, but interdependences between the two are not understood. In this study, a rutile TiO2(110) surface possessing 7% surface oxygen vacancy sites is used as a model surface to probe the relationship between O2 photodesorption and acetone photodecomposition. Temperature programmed desorption (TPD) and photon stimulated desorption (PSD) measurements indicate that coadsorbed oxygen is essential to acetone photodecomposition on this surface, however the form of oxygen (molecular and dissociative) is not known. The first steps in acetone photodecomposition on TiO2(110) involve thermal activation with oxygen to form an acetone diolate ((CH3)2COO) species followed by photochemical decomposition to adsorbed acetate (CH3COO) and an ejected CH3 radical that is detected in PSD. Depending on the surface conditions, O2 PSD is also observed during the latter process. However, the time scales for the two PSD events (CH3 and O2) are quite different, with the former occurring at ∼10 times faster than the latter. By varying the preheating conditions or performing pre-irradiation on an O2 exposed surface, it becomes clear that the two PSD events are uncorrelated. That is, the O2 species responsible for O2 PSD is not a significant participant in the photochemistry of acetone on TiO2(110) and likely originates from a minority form of O2 on the surface. The CH3 and O2 PSD events do not appear to be in competition with each other suggesting either that ample charge carriers exist under the experimental conditions employed or that different charge carriers or excitation mechanisms are involved

  19. Processing of beet-sugar molasses in the acetone-butyl alcohol industry

    Energy Technology Data Exchange (ETDEWEB)

    Zalesskaya, M I; Logotkin, I S; Marfina, A M; Gus' kova, N P; Chekasina, E V

    1958-01-01

    Possibility of partial replacement of flour by beet-sugar molasses (I) in acetone-BuOH fermentation was investigated on a commercial scale. Detailed regimes of experiments carried out in two trials were given. Yields of fermentation (kg/1000 kg starch of mash) were: 125.3, 214.4, and 31.5 of acetone, BuOH and EtOH, respectively, for pure flour-mash; 123.3, 215.3, and 28.7 of acetone, BuOH, and EtOH, respectively, at 10% flour replaced by I; 127.8, 205.9, and 51.8, respectively, at 50% flour replaced by I; and 120.17, 216.48, and 42.3, respectively, at 62% flour replaced by I. Inoculum, grown in the seed-mash containing flour only, was not mixed with fermentor-mash until the stage of acid production by the inoculum was reached. During the fermentation of mashes in which 62% flour was replaced by I, a slight foaming was observed.

  20. Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling.

    Science.gov (United States)

    Assem, Naila; Ferreira, David J; Wolan, Dennis W; Dawson, Philip E

    2015-07-20

    Macrocyclization is a broadly applied approach for overcoming the intrinsically disordered nature of linear peptides. Herein, it is shown that dichloroacetone (DCA) enhances helical secondary structures when introduced between peptide nucleophiles, such as thiols, to yield an acetone-linked bridge (ACE). Aside from stabilizing helical structures, the ketone moiety embedded in the linker can be modified with diverse molecular tags by oxime ligation. Insights into the structure of the tether were obtained through co-crystallization of a constrained S-peptide in complex with RNAse S. The scope of the acetone-linked peptides was further explored through the generation of N-terminus to side chain macrocycles and a new approach for generating fused macrocycles (bicycles). Together, these studies suggest that acetone linking is generally applicable to peptide macrocycles with a specific utility in the synthesis of stabilized helices that incorporate functional tags. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. The Marangoni convection induced by acetone desorption from the falling soap film

    Science.gov (United States)

    Sha, Yong; Li, Zhangyun; Wang, Yongyi; Huang, Jiali

    2012-05-01

    By means of the falling soap film tunnel and the Schlieren optical method, the Marangoni convection were observed directly in the immediate interfacial neighborhood during the desorption process of acetone from the falling soap film. Moreover, the hydraulic characteristics of the falling soap film tunnel, the acetone concentration, the surface tension of the soap liquid and the mass transfer has been investigated in details through the experimental or theoretical method.

  2. Biofiltration of mixtures of gas-phase styrene and acetone with the fungus Sporothrix variecibatus

    Energy Technology Data Exchange (ETDEWEB)

    Rene, Eldon R.; Spackova, Radka; Veiga, Maria C. [University of La Coruna, Dpt. of Chemical Engineering, Campus da Zapateira, Rua da Fraga, 10, 15008 La Coruna (Spain); Kennes, Christian, E-mail: kennes@udc.es [University of La Coruna, Dpt. of Chemical Engineering, Campus da Zapateira, Rua da Fraga, 10, 15008 La Coruna (Spain)

    2010-12-15

    The biodegradation performance of a biofilter, inoculated with the fungus Sporothrix variecibatus, to treat gas-phase styrene and acetone mixtures under steady-state and transient conditions was evaluated. Experiments were carried out by varying the gas-flow rates (0.05-0.4 m{sup 3} h{sup -1}), leading to empty bed residence times as low as 17.1 s, and by changing the concentrations of gas-phase styrene (0.01-6.3 g m{sup -3}) and acetone (0.01-8.9 g m{sup -3}). The total elimination capacities were as high as 360 g m{sup -3} h{sup -1}, with nearly 97.5% removal of styrene and 75.6% for acetone. The biodegradation of acetone was inhibited by the presence of styrene, while styrene removal was affected only slightly by the presence of acetone. During transient-state experiments, increasing the overall pollutant load by almost 3-fold, i.e., from 220 to 600 g m{sup -3} h{sup -1}, resulted in a sudden drop of removal efficiency (>90-70%), but still high elimination capacities were maintained. Periodic microscopic observations revealed that the originally inoculated Sporothrix sp. remained present in the reactor and actively dominant in the biofilm.

  3. Decryptification of Acid Phosphatase in Arthrospores of Geotrichum Species Treated with Dimethyl Sulfoxide and Acetone

    Science.gov (United States)

    Cotter, David A.; Martel, Anita J.; MacDonald, Paul

    1975-01-01

    Decryptification of acid phosphatase in Geotrichum sp. arthrospores was accomplished using acetone or dimethyl sulfoxide treatment. Both dimethyl sulfoxide and acetone irreversibly destroyed the integrity of the spore membranes without solubilizing acid phosphatase. PMID:1167386

  4. Profiling and relative quantification of phosphatidylethanolamine based on acetone stable isotope derivatization.

    Science.gov (United States)

    Wang, Xiang; Wei, Fang; Xu, Ji-Qu; Lv, Xin; Dong, Xu-Yan; Han, Xianlin; Quek, Siew-Young; Huang, Feng-Hong; Chen, Hong

    2016-01-01

    Phosphatidylethanolamine (PE) is considered to be one of the pivotal lipids for normal cellular function as well as disease initiation and progression. In this study, a simple, efficient, reliable, and inexpensive method for the qualitative analysis and relative quantification of PE, based on acetone stable isotope derivatization combined with double neutral loss scan-shotgun electrospray ionization tandem-quadrupole mass spectrometry analysis (ASID-DNLS-Shotgun ESI-MS/MS), was developed. The ASID method led to alkylation of the primary amino groups of PE with an isopropyl moiety. The use of acetone (d0-acetone) and deuterium-labeled acetone (d6-acetone) introduced a 6 Da mass shift that was ideally suited for relative quantitative analysis, and enhanced sensitivity for mass analysis. The DNLS model was introduced to simultaneously analyze the differential derivatized PEs by shotgun ESI-MS/MS with high selectivity and accuracy. The reaction specificity, labeling efficiency, and linearity of the ASID method were thoroughly evaluated in this study. Its excellent applicability was validated by qualitative and relative quantitative analysis of PE species presented in liver samples from rats fed different diets. Using the ASID-DNLS-Shotgun ESI-MS/MS method, 45 PE species from rat livers have been identified and quantified in an efficient manner. The level of total PEs tended to decrease in the livers of rats on high fat diets compared with controls. The levels of PE 32:1, 34:3, 34:2, 36:3, 36:2, 42:10, plasmalogen PE 36:1 and lyso PE 22:6 were significantly reduced, while levels of PE 36:1 and lyso PE 16:0 increased. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Improvement of the cold flow characteristics of biodiesel containing dissolved polymer wastes using acetone

    Directory of Open Access Journals (Sweden)

    Pouya Mohammadi

    2014-03-01

    Full Text Available Due to the fast fossil fuel depletion and at the same time global warming phenomenon anticipated for the next coming years, the necessity of developing alternative fuels e.g. biofuels (i.e. bioethanol, biodiesel, biogas and etc. has turned into an important concern. Recently, the application of the bio-solvency properties of biodiesel for recycling waste polymers has been highlighted. However, the impact of polymer dissolution on cold flow characteristics of biodiesel was never investigated. The present study was set to explore the impact of different solvents in stabilizing biodiesel-polymer solution. Among them, acetone was proved to be the best fuel stabilizer. Subsequently, cold flow characteristic i.e. cloud point, of the biodiesel-polymer-acetone fuel was found to have improved (decreased due to the inclusion of acetone. Finally, flash point analysis of the fuel blends containing acetone was done to ensured high safety of the fuel blend by dramatically increasing the flash point values of biodiesel-polymer fuel blends.

  6. Lidar/DIAL detection of acetone at 3.3 μm by a tunable OPO laser system

    Science.gov (United States)

    Puiu, A.; Fiorani, L.; Rosa, O.; Borelli, R.; Pistilli, M.; Palucci, A.

    2014-08-01

    In this paper we report, for the first time to our knowledge, on lidar/DIAL detection of acetone vapors at 3.3 μm by means of an optical parametric tunable laser system. After a preliminary spectroscopic study in an absorption cell, the feasibility of a differential absorption (DIAL) lidar for the detection of acetone vapors has been investigated in the laboratory, simulating the experimental conditions of a field campaign. Having in mind measurements in a real scenario, a study of possible atmospheric intereferents has been performed, looking for all known compounds that share acetone IR absorption in the spectral band selected for its detection. Possible interfering species from urban and industrial atmospheres were investigated and limits of acetone detection in both environments were identified. This study confirmed that a lidar system can detect a low concentration of acetone at considerable distances.

  7. Application of Raman Spectroscopy for the Detection of Acetone Dissolved in Transformer Oil

    Science.gov (United States)

    Gu, Z.; Chen, W.; Du, L.; Shi, H.; Wan, F.

    2018-05-01

    The CLRS detection characteristics of acetone dissolved in transformer oil were analyzed. Raman spectral peak at 780 cm-1 was used as the characteristic spectral peak for qualitative and quantitative analyses. The effect of the detection depth and the temperature was investigated in order to obtain good Raman signals. The optimal detection depth and temperature were set as 3 mm and room temperature. A quantitative model relation between concentration and the Raman peak intensity ratio I 780/I 893 was constructed via the least-squares method. The results demonstrated that CLRS can quantitatively detect the concentration of acetone in transformer oil and CLRS has potential as a useful alternative for accelerating the in-situ analysis of the concentration of acetone in transformer oil.

  8. Application of Raman Spectroscopy for the Detection of Acetone Dissolved in Transformer Oil

    Science.gov (United States)

    Gu, Z.; Chen, W.; Du, L.; Shi, H.; Wan, F.

    2018-05-01

    The CLRS detection characteristics of acetone dissolved in transformer oil were analyzed. Raman spectral peak at 780 cm-1 was used as the characteristic spectral peak for qualitative and quantitative analyses. The effect of the detection depth and the temperature was investigated in order to obtain good Raman signals. The optimal detection depth and temperature were set as 3 mm and room temperature. A quantitative model relation between concentration and the Raman peak intensity ratio I 780/ I 893 was constructed via the least-squares method. The results demonstrated that CLRS can quantitatively detect the concentration of acetone in transformer oil and CLRS has potential as a useful alternative for accelerating the in-situ analysis of the concentration of acetone in transformer oil.

  9. Acetone and acetaldehyde determination in tomato juice by isotopic dilution

    International Nuclear Information System (INIS)

    Piva, M.-T.; Crouzet, J.

    1977-01-01

    Acetone and acetaldehyde content of tomato juice were determined by isotope dilution techniques. The juice is added to 14 C labelled compounds, carried along by nitrogen at low pressure. The mixture of 2.4 dinitrophenylhydrazones obtained from volatile compounds is separated by thin layer chromatography on silica gel and then on alumina. A determination of radioactivity and concentration of acetone and acetaldehyde 2,4 dinitrophenylhydrazones obtained after separation and elution allow to calculate the content of these two compounds in the initial product with the same sample. This technique could be used for determination of methanol and ethanol after transformation in 3,5 dinitrobenzoates [fr

  10. Optical acetone vapor sensors based on chiral nematic liquid crystals and reactive chiral dopants

    NARCIS (Netherlands)

    Cachelin, P.; Green, J.P.; Peijs, T.; Heeney, M.; Bastiaansen, C.W.M.

    2016-01-01

    Accurate monitoring of exposure to organic vapors, such as acetone, is an important part of maintaining a safe working environment and adhering to long- and short-term exposure limits. Here, a novel acetone vapor detection system is described based on the use of a reactive chiral dopant in a nematic

  11. Biodegradation of airborne acetone/styrene mixtures in a bubble column reactor.

    Science.gov (United States)

    Vanek, T; Silva, A; Halecky, M; Paca, J; Ruzickova, I; Kozliak, E; Jones, K

    2017-07-29

    The ability of a bubble column reactor (BCR) to biodegrade a mixture of styrene and acetone vapors was evaluated to determine the factors limiting the process efficiency, with a particular emphasis on the presence of degradation intermediates and oxygen levels. The results obtained under varied loadings and ratios were matched with the dissolved oxygen levels and kinetics of oxygen mass transfer, which was assessed by determination of k L a coefficients. A 1.5-L laboratory-scale BCR was operated under a constant air flow of 1.0 L.min -1 , using a defined mixed microbial population as a biocatalyst. Maximum values of elimination capacities/maximum overall specific degradation rates of 75.5 gC.m -3 .h -1 /0.197 gC.gdw -1 .h -1 , 66.0 gC.m -3 .h -1 /0.059 gC.gdw -1 .h -1 , and 45.8 gC.m -3 .h -1 /0.027 gC.gdw -1 .h -1 were observed for styrene/acetone 2:1, styrene-rich and acetone-rich mixtures, respectively, indicating significant substrate interactions and rate limitation by biological factors. The BCR removed both acetone and styrene near-quantitatively up to a relatively high organic load of 50 g.m -3 .h -1 . From this point, the removal efficiencies declined under increasing loading rates, accompanied by a significant drop in the dissolved oxygen concentration, showing a process transition to oxygen-limited conditions. However, the relatively efficient pollutant removal from air continued, due to significant oxygen mass transfer, up to a threshold loading rate when the accumulation of acetone and degradation intermediates in the aqueous medium became significant. These observations demonstrate that oxygen availability is the limiting factor for efficient pollutant degradation and that accumulation of intermediates may serve as an indicator of oxygen limitation. Microbial (activated sludge) analyses revealed the presence of amoebae and active nematodes that were not affected by variations in operational conditions.

  12. Investigation of efficiency of air cleaning from acetone using a segmental construction biofilter

    Directory of Open Access Journals (Sweden)

    Denas Bacevičius

    2015-10-01

    Full Text Available Volatile organic compounds, e. g. acetone, have a direct impact on climate change, decrease of ozone in the air, and on the growth of greenhouse effect. One of the most popular air purifying methods from VOC is a biological air cleaning. Experimental investigations were conducted to determine the efficiency of the new structure of biofilter with polypropylene plates segments. During the investigations the efficiency of segmental construction biofilter of air purification at different initial concentrations of pollutants was determined. Different concentrations of pollutants were estimated during the acetone dilution with water. During the tests the efficiency of biofilter air purification from acetone vapor and its change under different concentrations of vapors was set. Based on test results, the maximum efficiency of biofilter air purification was up to 93%. Studies have shown that increasing the allowable pollutant concentration, the efficiency of air purification unit decreases. Increasing the concentration of supplied acetone vapor into the biofilter from 232 to 701 mg/m3, cleaning efficiency decreased from 92.8 to 82.3%. Since microorganisms fail to oxidize organic compounds, the filter works better at lower initial concentrations of pollutants.

  13. Role of Acetone in the Formation of Highly Dispersed Cationic Polystyrene Nanoparticles

    Directory of Open Access Journals (Sweden)

    Ernawati Lusi

    2017-03-01

    Full Text Available A modified emulsion polymerisation synthesis route for preparing highly dispersed cationic polystyrene (PS nanoparticles is reported. The combined use of 2,2′-azobis[2-(2-imidazolin- 2-ylpropane] di-hydrochloride (VA-044 as the initiator and acetone/water as the solvent medium afforded successful synthesis of cationic PS particles as small as 31 nm in diameter. A formation mechanism for the preparation of PS nanoparticles was proposed, whereby the occurrence of rapid acetone diffusion caused spontaneous rupture of emulsion droplets into smaller droplets. Additionally, acetone helped to reduce the surface tension and increase the solubility of styrene, thus inhibiting aggregation and coagulation among the particles. In contrast, VA-044 initiator could effectively regulate the stability of the PS nanoparticles including both the surface charge and size. Other reaction parameters i.e. VA-044 concentration and reaction time were examined to establish the optimum polymerisation conditions.

  14. Co-production of acetone and ethanol with molar ratio control enables production of improved gasoline or jet fuel blends.

    Science.gov (United States)

    Baer, Zachary C; Bormann, Sebastian; Sreekumar, Sanil; Grippo, Adam; Toste, F Dean; Blanch, Harvey W; Clark, Douglas S

    2016-10-01

    The fermentation of simple sugars to ethanol has been the most successful biofuel process to displace fossil fuel consumption worldwide thus far. However, the physical properties of ethanol and automotive components limit its application in most cases to 10-15 vol% blends with conventional gasoline. Fermentative co-production of ethanol and acetone coupled with a catalytic alkylation reaction could enable the production of gasoline blendstocks enriched in higher-chain oxygenates. Here we demonstrate a synthetic pathway for the production of acetone through the mevalonate precursor hydroxymethylglutaryl-CoA. Expression of this pathway in various strains of Escherichia coli resulted in the co-production of acetone and ethanol. Metabolic engineering and control of the environmental conditions for microbial growth resulted in controllable acetone and ethanol production with ethanol:acetone molar ratios ranging from 0.7:1 to 10.0:1. Specifically, use of gluconic acid as a substrate increased production of acetone and balanced the redox state of the system, predictively reducing the molar ethanol:acetone ratio. Increases in ethanol production and the molar ethanol:acetone ratio were achieved by co-expression of the aldehyde/alcohol dehydrogenase (AdhE) from E. coli MG1655 and by co-expression of pyruvate decarboxylase (Pdc) and alcohol dehydrogenase (AdhB) from Z. mobilis. Controlling the fermentation aeration rate and pH in a bioreactor raised the acetone titer to 5.1 g L(-1) , similar to that obtained with wild-type Clostridium acetobutylicum. Optimizing the metabolic pathway, the selection of host strain, and the physiological conditions employed for host growth together improved acetone titers over 35-fold (0.14-5.1 g/L). Finally, chemical catalysis was used to upgrade the co-produced ethanol and acetone at both low and high molar ratios to higher-chain oxygenates for gasoline and jet fuel applications. Biotechnol. Bioeng. 2016;113: 2079-2087. © 2016 Wiley

  15. Measurements of acetone yields from the OH-initiated oxidation of terpenes by proton-transfer-reaction mass spectrometry

    International Nuclear Information System (INIS)

    Wisthaler, A.; Lindinger, W.; Jensen, N.R.; Winterhalter, R.; Hjorth, J.

    2002-01-01

    Biogenic VOCs (Volatile Organic Compounds) are known to be emitted in large quantities from vegetation exceeding largely global emissions of anthropogenic VOCs. Monoterpenes (C 10 H 16 ) are important constituents of biogenic VOC emissions. The atmospheric oxidation of Monoterpenes appears to be a potentially relevant source of acetone in the atmosphere. Acetone is present as a significant trace gas in the whole troposphere and influences in particular the atmospheric chemistry in the upper troposphere by substantially contributing to the formation of HO x radicals and peroxyacetyl nitrate (PAN). Acetone is formed promptly, following attack by the OH-radical on the terpene, via a series of highly unstable radical intermediates, but it is also formed slowly via the degradation of stable non-radical intermediates such as pinonaldehyde and nopinone. In order to investigate the relative importance of these processes, the OH-initiated oxidation of α-pinene and β-pinene was investigated in a chamber study, where the concentrations of monoterpenes, acetone, pinonaldehyde and nopinone were monitored by proton-transfer-reaction mass spectrometry (PTR-MS). It was found that significant amounts of acetone are formed directly, whenα-pinene and β-pinene are oxidized by the OH radical, but also secondary chemistry (degradation of primary reaction products) gives a significant contribution to the formation of acetone from monoterpenes. It can be concluded that atmospheric oxidation of monoterpenes contributes a significant fraction to the global acetone source strength. (nevyjel)

  16. Radical Scavenging by Acetone: A New Perspective to Understand Laccase/ABTS Inactivation and to Recover Redox Mediator.

    Science.gov (United States)

    Liu, Hao; Zhou, Pandeng; Wu, Xing; Sun, Jianliang; Chen, Shicheng

    2015-11-04

    The biosynthetic utilization of laccase/mediator system is problematic because the use of organic cosolvent causes significant inhibition of laccase activity. This work explored how the organic cosolvent impacts on the laccase catalytic capacity towards 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) in aqueous solution. Effects of acetone on the kinetic constants of laccase were determined and the results showed Km and Vmax varied exponentially with increasing acetone content. Acetone as well as some other cosolvents could transform ABTS radicals into its reductive form. The content of acetone in media significantly affected the radical scavenging rates. Up to 95% of the oxidized ABTS was successfully recovered in 80% (v/v) acetone in 60 min. This allows ABTS recycles at least six times with 70%-75% of active radicals recovered after each cycle. This solvent-based recovery strategy may help improve the economic feasibility of laccase/ABTS system in biosynthesis.

  17. Solute-solvent complex switching dynamics of chloroform between acetone and dimethylsulfoxide-two-dimensional IR chemical exchange spectroscopy.

    Science.gov (United States)

    Kwak, Kyungwon; Rosenfeld, Daniel E; Chung, Jean K; Fayer, Michael D

    2008-11-06

    Hydrogen bonds formed between C-H and various hydrogen bond acceptors play important roles in the structure of proteins and organic crystals, and the mechanisms of C-H bond cleavage reactions. Chloroform, a C-H hydrogen bond donor, can form weak hydrogen-bonded complexes with acetone and with dimethylsulfoxide (DMSO). When chloroform is dissolved in a mixed solvent consisting of acetone and DMSO, both types of hydrogen-bonded complexes exist. The two complexes, chloroform-acetone and chloroform-DMSO, are in equilibrium, and they rapidly interconvert by chloroform exchanging hydrogen bond acceptors. This fast hydrogen bond acceptor substitution reaction is probed using ultrafast two-dimensional infrared (2D-IR) vibrational echo chemical exchange spectroscopy. Deuterated chloroform is used in the experiments, and the 2D-IR spectrum of the C-D stretching mode is measured. The chemical exchange of the chloroform hydrogen bonding partners is tracked by observing the time-dependent growth of off-diagonal peaks in the 2D-IR spectra. The measured substitution rate is 1/30 ps for an acetone molecule to replace a DMSO molecule in a chloroform-DMSO complex and 1/45 ps for a DMSO molecule to replace an acetone molecule in a chloroform-acetone complex. Free chloroform exists in the mixed solvent, and it acts as a reactive intermediate in the substitution reaction, analogous to a SN1 type reaction. From the measured rates and the equilibrium concentrations of acetone and DMSO, the dissociation rates for the chloroform-DMSO and chloroform-acetone complexes are found to be 1/24 ps and 1/5.5 ps, respectively. The difference between the measured rate for the complete substitution reaction and the rate for complex dissociation corresponds to the diffusion limited rate. The estimated diffusion limited rate agrees well with the result from a Smoluchowski treatment of diffusive reactions.

  18. The use of acetone to enhance the infiltration of HA nanoparticles into a demineralized dentin collagen matrix.

    Science.gov (United States)

    Besinis, Alexandros; van Noort, Richard; Martin, Nicolas

    2016-03-01

    This study investigates the role of acetone, as a carrier for nano-hydroxyapatite (nano-HA) in solution, to enhance the infiltration of fully demineralized dentin with HA nanoparticles (NPs). Dentin specimens were fully demineralized and subsequently infiltrated with two types of water-based nano-HA solutions (one containing acetone and one without). Characterization of the dentin surfaces and nano-HA particles was performed using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The surface wettability and infiltration capacity of the nano-HA solutions were quantified by means of contact angle measurements and energy dispersive X-ray spectroscopy (EDS), respectively. Contact angle measurements were taken at baseline and repeated at regular intervals to assess the effect of acetone. The P and Ca levels of infiltrated dentin specimens were measured and compared to sound dentin and non-infiltrated controls. The presence of acetone resulted in an eight-fold decrease in the contact angles of the nano-HA solutions recorded on the surface of demineralized dentin compared to nano-HA solutions without acetone (one-way ANOVA, pacetone. Infiltration of demineralized dentin with the nano-HA solution containing acetone restored the lost mineral content by 50%, whereas the mean mineralization values for P and Ca in dentin treated with the acetone-free nano-HA solution were less than 6%. Acetone was shown to act as a vehicle to enhance the capacity to infiltrate demineralized dentin with HA NPs. The successful infiltration of dentin collagen with HA NPs provides a suitable scaffold, whereby the infiltrated HA NPs have the potential to act as seeds that may initiate heterogenous mineral growth when exposed to an appropriate mineral-rich environment. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  19. Polypyrrole nanoparticles fabricated via Triton X-100 micelles template approach and their acetone gas sensing property

    Energy Technology Data Exchange (ETDEWEB)

    Li, Fake; Li, Hang [Department of Clinical Laboratory Medcine, Research Institute of Surgery, Daping Hospital, Third Military Medical University, Chongqing 400042 (China); Jiang, Hongmin [26th Research Institute, Chinese Electronics Scientific and Technical Group Company, Chongqing 400060 (China); Zhang, Kejun; Chang, Kai; Jia, Shuangrong; Jiang, Wenbin; Shang, Ya; Lu, Weiping [Department of Clinical Laboratory Medcine, Research Institute of Surgery, Daping Hospital, Third Military Medical University, Chongqing 400042 (China); Deng, Shaoli, E-mail: dengsl072@yahoo.com.cn [Department of Clinical Laboratory Medcine, Research Institute of Surgery, Daping Hospital, Third Military Medical University, Chongqing 400042 (China); Chen, Ming, E-mail: chenming1971@yahoo.com [Department of Clinical Laboratory Medcine, Research Institute of Surgery, Daping Hospital, Third Military Medical University, Chongqing 400042 (China)

    2013-09-01

    Nano-scaled polypyrrole (PPy) particles have been successfully synthesized with the help of Triton X-100 micelles via soft template approach. The polypyrrole nanoparticles have been spin-coated on surface acoustic wave (SAW) transducers to demonstrate their sensing capability toward acetone gas exposure. Field Emission Scanning Electron Microscopes (FE-SEM) and Fourier transform infrared (FT-IR) spectroscopy have been utilized to characterize these PPy nanoparticles. The PPy nanoparticles have an average diameter of 95 nm. The responses of the sensors are linearly associated with the acetone concentrations in the range from 5.5 ppm to 80 ppm. In response to 5.5 ppm acetone exposure, the response and recovery time are 9 s and 8.3 s, respectively. SAW sensors coated with PPy nanoparticles were potentially useful to detect acetone.

  20. Polypyrrole nanoparticles fabricated via Triton X-100 micelles template approach and their acetone gas sensing property

    International Nuclear Information System (INIS)

    Li, Fake; Li, Hang; Jiang, Hongmin; Zhang, Kejun; Chang, Kai; Jia, Shuangrong; Jiang, Wenbin; Shang, Ya; Lu, Weiping; Deng, Shaoli; Chen, Ming

    2013-01-01

    Nano-scaled polypyrrole (PPy) particles have been successfully synthesized with the help of Triton X-100 micelles via soft template approach. The polypyrrole nanoparticles have been spin-coated on surface acoustic wave (SAW) transducers to demonstrate their sensing capability toward acetone gas exposure. Field Emission Scanning Electron Microscopes (FE-SEM) and Fourier transform infrared (FT-IR) spectroscopy have been utilized to characterize these PPy nanoparticles. The PPy nanoparticles have an average diameter of 95 nm. The responses of the sensors are linearly associated with the acetone concentrations in the range from 5.5 ppm to 80 ppm. In response to 5.5 ppm acetone exposure, the response and recovery time are 9 s and 8.3 s, respectively. SAW sensors coated with PPy nanoparticles were potentially useful to detect acetone.

  1. NASOPHARYNGEAL CONCENTRATIONS IN THE HUMAN VOLUNTEER BREATHING ACETONE

    Science.gov (United States)

    In an effort to examine the absorption of a common chemical into the nasopharyngeal region in humans, a 57 year old male volunteer inhaled uniformly labeled 13C-acetone at 1.4 ppm for 30 min while performing different breathing maneuvers; nose inhale, nose exhale (NINE); mouth ...

  2. An acetone microsensor with a ring oscillator circuit fabricated using the commercial 0.18 μm CMOS process.

    Science.gov (United States)

    Yang, Ming-Zhi; Dai, Ching-Liang; Shih, Po-Jen

    2014-07-17

    This study investigates the fabrication and characterization of an acetone microsensor with a ring oscillator circuit using the commercial 0.18 μm complementary metal oxide semiconductor (CMOS) process. The acetone microsensor contains a sensitive material, interdigitated electrodes and a polysilicon heater. The sensitive material is α-Fe2O3 synthesized by the hydrothermal method. The sensor requires a post-process to remove the sacrificial oxide layer between the interdigitated electrodes and to coat the α-Fe2O3 on the electrodes. When the sensitive material adsorbs acetone vapor, the sensor produces a change in capacitance. The ring oscillator circuit converts the capacitance of the sensor into the oscillation frequency output. The experimental results show that the output frequency of the acetone sensor changes from 128 to 100 MHz as the acetone concentration increases 1 to 70 ppm.

  3. Gallium-67 citrate used as a tracer of acetone production routes

    International Nuclear Information System (INIS)

    Mesquita, Carlos Henrique de; Calvo, Wilson A.P.; Aoki, Pedro E.; Silva, Valdir Cosmos da; Haraguchi, Marcio I.; Velo, Alexandre F.; Alvarez, Alexandre G.; Paixão, Leticia B.; Hamada, Margarida M.

    2017-01-01

    In this work the pathway of the chemical product and the kinetics parameters were evaluated in a laboratory plant settled, using 40 GBq of 67 Ga citrate as radiotracer and 18 NaI(Tl) radiation detectors. The AnaComp program was used to estimate the kinetic parameters of the acetone production. The yield of the acetone production was estimated by the percentage ratio between the areas under the curve (AUC) of the curve profiles of the final product compartment divided by the concentration found inside the chemical reactor whose result was 87% yield during the first 30 minutes of reaction. (author)

  4. Gallium-67 citrate used as a tracer of acetone production routes

    Energy Technology Data Exchange (ETDEWEB)

    Mesquita, Carlos Henrique de; Calvo, Wilson A.P.; Aoki, Pedro E.; Silva, Valdir Cosmos da; Haraguchi, Marcio I.; Velo, Alexandre F.; Alvarez, Alexandre G.; Paixão, Leticia B.; Hamada, Margarida M., E-mail: chmesqui@usp.br [Instituto de Pesquisas Energéticas e Nucleares (IPEN/CNEN-SP), São Paulo, SP (Brazil)

    2017-07-01

    In this work the pathway of the chemical product and the kinetics parameters were evaluated in a laboratory plant settled, using 40 GBq of {sup 67}Ga citrate as radiotracer and 18 NaI(Tl) radiation detectors. The AnaComp program was used to estimate the kinetic parameters of the acetone production. The yield of the acetone production was estimated by the percentage ratio between the areas under the curve (AUC) of the curve profiles of the final product compartment divided by the concentration found inside the chemical reactor whose result was 87% yield during the first 30 minutes of reaction. (author)

  5. Acetone gas-sensing properties of multiple-networked Pd-decorated Bi_2O_3 nanorod sensors

    International Nuclear Information System (INIS)

    Park, Sung Hoon; Kim, Soo Hyun; Lee, Sang Min; Lee, Chong Mu

    2015-01-01

    This study examined the sensing properties of Bi_2O_3 nanorods decorated with Pd nanoparticles. Pd-decorated β-Bi_2O_3 nanorods were prepared by immersing the Bi_2O_3 nanorods in ethanol/(50 mM)PdCl_2 solution followed by UV irradiation and annealing. The Bi_2O_3 nanorods decorated with Pd nanoparticles showed faster and stronger response to acetone gas than the pristine Bi_2O_3 nanorods. Interestingly, the difference in response time between the Pd-decorated Bi_2O_3 nanorod sensor and pristine Bi_2O_3 nanorod sensor increased with increasing the acetone gas concentration. In contrast, the difference in recovery time between the two nanorod sensors decreased with increasing the acetone gas concentration. This difference can be explained using the chemical mechanism. The underlying mechanism for the enhanced response of the Bi_2O_3 nanorods decorated with Pd nanoparticles to acetone gas is also discussed

  6. Lidar/DIAL detection of acetone at 3.3 μm by a tunable OPO laser system

    International Nuclear Information System (INIS)

    Puiu, A; Fiorani, L; Borelli, R; Pistilli, M; Palucci, A; Rosa, O

    2014-01-01

    In this paper we report, for the first time to our knowledge, on lidar/DIAL detection of acetone vapors at 3.3 μm by means of an optical parametric tunable laser system. After a preliminary spectroscopic study in an absorption cell, the feasibility of a differential absorption (DIAL) lidar for the detection of acetone vapors has been investigated in the laboratory, simulating the experimental conditions of a field campaign. Having in mind measurements in a real scenario, a study of possible atmospheric intereferents has been performed, looking for all known compounds that share acetone IR absorption in the spectral band selected for its detection. Possible interfering species from urban and industrial atmospheres were investigated and limits of acetone detection in both environments were identified. This study confirmed that a lidar system can detect a low concentration of acetone at considerable distances. (paper)

  7. An acetone breath analyzer using cavity ringdown spectroscopy: an initial test with human subjects under various situations

    International Nuclear Information System (INIS)

    Wang, Chuji; Surampudi, Anand B

    2008-01-01

    We have developed a portable breath acetone analyzer using cavity ringdown spectroscopy (CRDS). The instrument was initially tested by measuring the absorbance of breath gases at a single wavelength (266 nm) from 32 human subjects under various conditions. A background subtraction method, implemented to obtain absorbance differences, from which an upper limit of breath acetone concentration was obtained, is described. The upper limits of breath acetone concentration in the four Type 1 diabetes (T1D) subjects, tested after a 14 h overnight fast, range from 0.80 to 3.97 parts per million by volume (ppmv), higher than the mean acetone concentration (0.49 ppmv) in non-diabetic healthy breath reported in the literature. The preliminary results show that the instrument can tell distinctive differences between the breath from individuals who are healthy and those with T1D. On-line monitoring of breath gases in healthy people post-exercise, post-meals and post-alcohol-consumption was also conducted. This exploratory study demonstrates the first CRDS-based acetone breath analyzer and its potential application for point-of-care, non-invasive, diabetic monitoring

  8. BaFe{sub 12}O{sub 19} powder with high magnetization prepared by acetone-aided coprecipitation

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Hsuan-Fu, E-mail: hfyu@mail.tku.edu.tw

    2013-09-15

    BaFe{sub 12}O{sub 19} particles with high magnetization were produced using an acetone-aided coprecipitation process. An aqueous solution of iron and barium nitrates, in an Fe{sup 3+}/Ba{sup 2+} molar ratio of 12, was added in a stirred precipitation liquid medium composed of H{sub 2}O, CH{sub 3}(CO)CH{sub 3} and NH{sub 4}OH. After reacting metallic ions with ammonia, the precipitates were formed, centrifugally filtered, freeze dried and calcined. Effects of amount of the acetone in the precipitation liquid medium on the formation of crystalline BaFe{sub 12}O{sub 19} were investigated. The presence of acetone in the precipitation liquid medium can greatly promote formation of the crystalline BaFe{sub 12}O{sub 19} at temperature as low as 650 °C and can enhance magnetization of the derived particles. On the other hand, raising the calcination temperature can effectively accelerate development of crystallite morphology and magnetic characters of the barium hexaferrites. While the barium hexaferrite powder obtained without acetone additions and calcined at 1000 °C had magnetization (measured at 50 kOe; M(50 kOe)) of 63.5 emu/g, remanence magnetization (Mr) of 31.3 emu/g and coercivity (Hc) of 4.7 kOe, the single magnetic domain size BaFe{sub 12}O{sub 19} powder with M(50 kOe) of 70.6 emu/g, Mr of 34.4 emu/g and Hc of 3.7 kOe was produced at 1000 °C, using a precipitation liquid medium of 64 vol% acetone. - Highlights: • BaFe{sub 12}O{sub 19} with high magnetic characters was produced by an acetone-aided coprecipitation. • The effects of acetone addition in the precipitation on the formation of BaFe{sub 12}O{sub 19} were studied. • Acetone presence in the precipitation liquid medium promoted BaFe{sub 12}O{sub 19} formation at ≥650 °C. • BaFe{sub 12}O{sub 19} with M(50 kOe) of 70.6 emu/g, Mr of 34.4 emu/g and Hc of 3.7 kOe was obtained.

  9. Acetone photophysics at 282 nm excitation at elevated pressure and temperature. II: Fluorescence modeling

    Science.gov (United States)

    Hartwig, Jason; Raju, Mandhapati; Sung, Chih-Jen

    2017-07-01

    This is the second in a series of two papers that presents an updated fluorescence model and compares with the new experimental data reported in the first paper, as well as the available literature data, to extend the range of acetone photophysics to elevated pressure and temperature conditions. This work elucidates the complete acetone photophysical model in terms of each and every competing radiative and non-radiative rate. The acetone fluorescence model is then thoroughly examined and optimized based on disparity with recently conducted elevated pressure and temperature photophysical calibration experiments. The current work offers insight into the competition between non-radiative and vibrational energy decay rates at elevated temperature and pressure and proposes a global optimization of model parameters from the photophysical model developed by Thurber (Acetone Laser-Induced Fluorescence for Temperature and Multiparameter Imaging in Gaseous Flows. PhD thesis, Stanford University Mechanical Engineering Department, 1999). The collisional constants of proportionality, which govern vibrational relaxation, are shown to be temperature dependent at elevated pressures. A new oxygen quenching rate is proposed which takes into account collisions with oxygen as well as the oxygen-assisted intersystem crossing component. Additionally, global trends in ketone photophysics are presented and discussed.

  10. Rapid and selective detection of acetone using hierarchical ZnO gas sensor for hazardous odor markers application

    International Nuclear Information System (INIS)

    Jia, Qianqian; Ji, Huiming; Zhang, Ying; Chen, Yalu; Sun, Xiaohong; Jin, Zhengguo

    2014-01-01

    Highlights: • ZnO spheres fabricated via solvothermal method are with (0 0 2) polar facet exposed. • Response time of ZnO sensor for detecting 100 ppm acetone is as short as 3 s. • R a /R g toward 100 ppm acetone is 33 when operated at 230 °C. • ZnO sensor exhibits good selectivity against other toxic gases and water vapor. • Porous structure and exposure of polar facet contribute to good sensing properties. - Abstract: Hierarchical nanostructured ZnO dandelion-like spheres were synthesized via solvothermal reaction at 200 °C for 4 h. The products were pure hexagonal ZnO with large exposure of (0 0 2) polar facet. Side-heating gas sensor based on hierarchical ZnO spheres was prepared to evaluate the acetone gas sensing properties. The detection limit to acetone for the ZnO sensor is 0.25 ppm. The response (R a /R g ) toward 100 ppm acetone was 33 operated at 230 °C and the response time was as short as 3 s. The sensor exhibited remarkable acetone selectivity with negligible response toward other hazardous gases and water vapor. The high proportion of electron depletion region and oxygen vacancies contributed to high gas response sensitivity. The hollow and porous structure of dandelion-like ZnO spheres facilitated the diffusion of gas molecules, leading to a rapid response speed. The largely exposed (0 0 2) polar facets could adsorb acetone gas molecules easily and efficiently, resulting in a rapid response speed and good selectivity of hierarchical ZnO spheres gas sensor at low operating temperature

  11. First discovery of acetone extract from cottonseed oil sludge as a novel antiviral agent against plant viruses.

    Science.gov (United States)

    Zhao, Lei; Feng, Chaohong; Hou, Caiting; Hu, Lingyun; Wang, Qiaochun; Wu, Yunfeng

    2015-01-01

    A novel acetone extract from cottonseed oil sludge was firstly discovered against plant viruses including Tobacco mosaic virus (TMV), Rice stripe virus (RSV) and Southern rice black streaked dwarf virus (SRBSDV). Gossypol and β-sitosterol separated from the acetone extract were tested for their effects on anti-TMV and analysed by nuclear magnetic resonance (NMR) assay. In vivo and field trials in different geographic distributions and different host varieties declared that this extract mixture was more efficient than the commercial agent Ningnanmycin with a broad spectrum of anti-plant-viruses activity. No phytotoxic activity was observed in the treated plants and environmental toxicology showed that this new acetone extract was environmentally friendly, indicating that this acetone extract has potential application in the control of plant virus in the future.

  12. [Modification of the pattern of fatty acids of erythrocytes’ membranes due to the acetone intoxication].

    Science.gov (United States)

    Momot, T V; Kushnerova, N F; Rakhmanin, Yu A

    Results of the study of the impact of acetone intoxication on the fatty acids pattern of the general lipids of erythrocytes’ membranes in rats are presented. The inhalation exposure of acetone was carried out in the inoculation chamber with the volume of 100 liters. The chamber was designed for the type of B.A. Kurlyandsky with self-contained system of purification and air regeneration and specified parameters of temperature (20-22С) and air humidity. The flow rate of the air and aerosolized acetone passed through the chamber accounted of 10 liters/min. Concentration of acetone in the chamber was sustained at the level of 206 ± 3,9 mg/m that corresponds to maximum permissible concentration for acetone vapor in the air of a working area. The time of exposure was 6 hours per day for 3 weeks in a monotonous mode, excluding weekend, and was based upon specific parameters of environment simulation in industry. The acetone impact was shown to be accompanied by the gain in the quantity of all kinds of saturated fatty acids and the fall of unsaturated fatty acids in general lipids of erythrocytes ’ membranes in rats and in the structure ofphospholipid fractions. In the content of phosphatydilcholine and phosphatydilethanolamine, as a basic structural phospholipids of biological membranes, there was noted the increase in palmitic and stearic acids. In the range offatty acids of the n-6 family the amount of linoleic and arachidonic acids decreased. In the array of fatty acids of the n-3 family the content of linolenic, eicosapentaenoic and docosahexaenoic acids (n-3 family) declined. Redistribution of fatty acids in the erythrocytes membrane towards to such alteration in quantity as the increasing of saturation and decreasing of the unsaturated fatty acids supposes the change of its physical and chemical properties, permeability, lability and complexity of passing erythrocyte via microcircular channels.

  13. Some problems of local production of acetone and butanol

    Energy Technology Data Exchange (ETDEWEB)

    Fang, C; Chang, Y P

    1959-01-01

    Conditions of laboratory and plant cultivation of acetone-butanol fermentation bacteria are considered (effects of pH of the medium, temperature, and starch content in raw material on yield of fermentation products) and also the conditions of isolation of the final products produced.

  14. In vitro antimycobacterial activity of acetone extract of Glycyrrhiza glabra

    Directory of Open Access Journals (Sweden)

    Swapna S. Nair

    2015-08-01

    Full Text Available Context: Glycyrrhiza glabra (licorice has been used since ages as expectorant, antitussive and demulcent. G. glabra has been indicated in Ayurveda as an antimicrobial agent for the treatment of respiratory infections and tuberculosis. Aims: To evaluate the antimycobacterial activity of acetone extract of G. glabra by in vitro techniques. Methods: The anti-tubercular activity of acetone extract of G. glabra, obtained by Soxhlet extraction, was evaluated against Mycobacterium tuberculosis H37Rv (ATCC 27294. The in vitro anti-tubercular activity was determined by Resazurin Microtiter Plate Assay (REMA and colony count method. Further, the anti-tubercular activity of acetone extract of G. glabra was determined in human macrophage U937 cell lines and was compared against that of the standard drugs isoniazid, rifampicin and ethambutol. Results: G. glabra extract showed significant activity against Mycobacterium tuberculosis, when evaluated by REMA/colony count methods and in U937 human macrophage cell lines infected with Mycobacterium tuberculosis H37Rv. The activity of the extract was comparable to those of standard drugs. It was observed that the extract showed time and concentration dependent antimycobacterial activity. Conclusions: The present study reveals that G. glabra extract has promising anti-tubercular activity by preliminary in vitro techniques and in U937 macrophage cell line. Therefore, it has the definite potential to be developed as an affordable, cost-effective drug against tuberculosis.

  15. Hydrate phase equilibria of furan, acetone, 1,4-dioxane, TBAC and TBAF

    International Nuclear Information System (INIS)

    Kamran-Pirzaman, Arash; Pahlavanzadeh, Hassan; Mohammadi, Amir H.

    2013-01-01

    Highlights: • Experimental hydrate dissociation conditions are reported for CO 2 /methane + some water soluble/insoluble hydrate formers. • An isochoric pressure-search method was used to generate the experimental data. • The data are compared with the corresponding literature data in the presence of pure water. • The hydrate promotion effects of acetone, 1,4-dioxane, furan, TBAC and TBAF are discussed. -- Abstract: In this communication, we first report experimental hydrate dissociation pressures for the methane/carbon dioxide + furan/acetone/1,4-dioxane + water and the methane + tetra n-butyl ammonium chloride (TBAC) + water as well as the carbon dioxide + tetra n-butyl ammonium floride (TBAF) + water systems in the temperature ranges of (269.9 to 303.3) K. An isochoric pressure-search method was used to generate the experimental data. The hydrate dissociation data are compared with the corresponding literature data, if exists, and the literature data in the presence of pure water and acceptable agreement is observed. A discussion is made on hydrate promotion effects of acetone, 1,4-dioxane, furan, TBAC and TBAF

  16. A photoelectron and TPEPICO investigation of the acetone radical cation.

    Science.gov (United States)

    Rennie, Emma E; Boulanger, Anne-Marie; Mayer, Paul M; Holland, David M P; Shaw, David A; Cooper, Louise; Shpinkova, Larisa G

    2006-07-20

    The valence shell photoelectron spectrum, threshold photoelectron spectrum, and threshold photoelectron photoion coincidence (TPEPICO) mass spectra of acetone have been measured using synchrotron radiation. New vibrational progressions have been observed and assigned in the X 2B2 state photoelectron bands of acetone-h6 and acetone-d6, and the influence of resonant autoionization on the threshold electron yield has been investigated. The dissociation thresholds for fragment ions up to 31 eV have been measured and compared to previous values. In addition, kinetic modeling of the threshold region for CH3* and CH4 loss leads to new values of 78 +/- 2 kJ mol(-1) and 75 +/- 2 kJ mol(-1), respectively, for the 0 K activation energies for these two processes. The result for the methyl loss channel is in reasonable agreement with, but slightly lower than, that of 83 +/- 1 kJ mol(-1) derived in a recent TPEPICO study by Fogleman et al. The modeling accounts for both low-energy dissociation channels at two different ion residence times in the mass spectrometer. Moreover, the effects of the ro-vibrational population distribution, the electron transmission efficiency, and the monochromator band-pass are included. The present activation energies yield a Delta(f)H298 for CH3CO+ of 655 +/- 3 kJ mol(-1), which is 4 kJ mol(-1) lower than that reported by Fogleman et al. The present Delta(f)H298 for CH3CO+ can be combined with the Delta(f)H298 for CH2CO (-47.5 +/- 1.6 kJ mol(-1)) and H+ (1530 kJ mol(-1)) to yield a 298 K proton affinity for ketene of 828 +/- 4 kJ mol(-1), in good agreement with the value (825 kJ mol(-1)) calculated at the G2 level of theory. The measured activation energy for CH4 loss leads to a Delta(f)H298 (CH2CO+*) of 873 +/- 3 kJ mol(-1).

  17. Studies on acetone sensing characteristics of ZnO thin film prepared by sol–gel dip coating

    Energy Technology Data Exchange (ETDEWEB)

    Muthukrishnan, Karthika; Vanaraja, Manoj [School of Electrical & Electronics Engineering, SASTRA University, Thanjavur, 613401 (India); Boomadevi, Shanmugam [Department of Physics, National Institute of Technology, Tiruchirappalli, 620015 (India); Karn, Rakesh Kumar [School of Electrical & Electronics Engineering, SASTRA University, Thanjavur, 613401 (India); Singh, Vijay [Department of Chemical Engineering, Konkuk University, Seoul, 143-701 (Korea, Republic of); Singh, Pramod K. [Solar Energy Institute, Ege University, Bornova, 35100, Izmir (Turkey); Material Research Laboratory, School of Basic Sciences and Research, Sharda University, Greater Noida, 201310, U. P. (India); Pandiyan, Krishnamoorthy, E-mail: krishpandiyan@ece.sastra.edu [School of Electrical & Electronics Engineering, SASTRA University, Thanjavur, 613401 (India)

    2016-07-15

    Acetone sensing characteristics of Zinc Oxide thin films prepared by dip coating method are discussed in this paper. The sol for dip coating was synthesized using Zinc nitrate hexahydrate (Zn (NO{sub 3}){sub 2}. 6H{sub 2}O) and organic polymer sodium carboxy methyl cellulose (Na-CMC) as a starting material. Crystallinity and crystallite size of the prepared thin film was characterised by X-ray diffraction (XRD). Morphology was studied using field emission scanning electron microscopy (FESEM). The gas sensing characteristics was studied using chemiresistive method, by exposing the film to various concentrations of acetone at room temperature. Further, for comparative study ethanol and acetaldehyde has also been tested. Gas sensing parameters such us response, selectivity, lowest detection limit, response/recovery time of the thin film towards acetone were also reported. - Highlights: • ZnO has successfully synthesized using cheap and ease method. • Detail characterization have carried out and explained. • Sensing behaviour has been studied. • Acetone sensor has been fabricated.

  18. A simple procedure for preparing chitin oligomers through acetone precipitation after hydrolysis in concentrated hydrochloric acid.

    Science.gov (United States)

    Kazami, Nao; Sakaguchi, Masayoshi; Mizutani, Daisuke; Masuda, Tatsuhiko; Wakita, Satoshi; Oyama, Fumitaka; Kawakita, Masao; Sugahara, Yasusato

    2015-11-05

    Chitin oligomers are of interest because of their numerous biologically relevant properties. To prepare chitin oligomers containing 4-6 GlcNAc units [(GlcNAc)4-6], α- and β-chitin were hydrolyzed with concentrated hydrochloric acid at 40 °C. The reactant was mixed with acetone to recover the acetone-insoluble material, and (GlcNAc)4-6 was efficiently recovered after subsequent water extraction. Composition analysis using gel permeation chromatography and MALDI-TOF mass spectrometry indicated that (GlcNAc)4-6 could be isolated from the acetone-insoluble material with recoveries of approximately 17% and 21% from the starting α-chitin and β-chitin, respectively. The acetone precipitation method is highly useful for recovering chitin oligomers from the acid hydrolysate of chitin. The changes in the molecular size and higher-order structure of chitin during the course of hydrolysis were also analyzed, and a model that explains the process of oligomer accumulation is proposed. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Inert Reassessment Document for Acetone - CAS No. 67-64-1

    Science.gov (United States)

    Acetone is a highly volatile chemical that is used as an inert ingredient, a solvent/co-solvent, in a variety of pesticide products (including outdoor yard, garden and turf products, and agricultural crop products).

  20. Acetone and Butanone Metabolism of the Denitrifying Bacterium “Aromatoleum aromaticum” Demonstrates Novel Biochemical Properties of an ATP-Dependent Aliphatic Ketone Carboxylase

    Science.gov (United States)

    Schühle, Karola

    2012-01-01

    The anaerobic and aerobic metabolism of acetone and butanone in the betaproteobacterium “Aromatoleum aromaticum” is initiated by their ATP-dependent carboxylation to acetoacetate and 3-oxopentanoic acid, respectively. Both reactions are catalyzed by the same enzyme, acetone carboxylase, which was purified and characterized. Acetone carboxylase is highly induced under growth on acetone or butanone and accounts for at least 5.5% of total cell protein. The enzyme consists of three subunits of 85, 75, and 20 kDa, respectively, in a (αβγ)2 composition and contains 1 Zn and 2 Fe per heterohexamer but no organic cofactors. Chromatographic analysis of the ATP hydrolysis products indicated that ATP was exclusively cleaved to AMP and 2 Pi. The stoichiometry was determined to be 2 ATP consumed per acetone carboxylated. Purified acetone carboxylase from A. aromaticum catalyzes the carboxylation of acetone and butanone as the only substrates. However, the enzyme shows induced (uncoupled) ATPase activity with many other substrates that were not carboxylated. Acetone carboxylase is a member of a protein family that also contains acetone carboxylases of various other organisms, acetophenone carboxylase of A. aromaticum, and ATP-dependent hydantoinases/oxoprolinases. While the members of this family share several characteristic features, they differ with respect to the products of ATP hydrolysis, subunit composition, and metal content. PMID:22020645

  1. Fate of acetone in an outdoor model stream with a nitrate supplement, southern Mississippi, U.S.A.

    Science.gov (United States)

    Rathbun, R.E.; Stephens, D.W.; Tai, D.Y.

    1991-01-01

    The fate of acetone in an outdoor model stream to which nitrate was added as a nutrient supplement was determined. The stream, in southern Mississippi, U.S.A. was 234 m long. Water was supplied to the stream by an artesian well at about 1.21 s-1, resulting in a mean water velocity of about 0.5 m min-1. Acetone was injected continuously for 26 days resulting in concentrations of 20-40 mg l-1. A nitrate solution was injected for 21 days resulting in an instream concentration of about 1.7 mg l-1 at the upstream end of the stream. Rhodamine-WT dye was used to determine the travel time and dispersion characteristics of the stream, and t-butyl alcohol was used to determine the volatilization characteristics. Volatilization controlled the fate of acetone in the model stream. The lack of substantial bacterial degradation of acetone was contrary to expectations based on the results of laboratory degradation studies using model stream water enriched with nitrate. A possible explanation for the lack of significant degradation in the model stream may be the limited 6-h residence time of the acetone in the stream. ?? 1991.

  2. Rapid and selective detection of acetone using hierarchical ZnO gas sensor for hazardous odor markers application.

    Science.gov (United States)

    Jia, Qianqian; Ji, Huiming; Zhang, Ying; Chen, Yalu; Sun, Xiaohong; Jin, Zhengguo

    2014-07-15

    Hierarchical nanostructured ZnO dandelion-like spheres were synthesized via solvothermal reaction at 200°C for 4h. The products were pure hexagonal ZnO with large exposure of (002) polar facet. Side-heating gas sensor based on hierarchical ZnO spheres was prepared to evaluate the acetone gas sensing properties. The detection limit to acetone for the ZnO sensor is 0.25ppm. The response (Ra/Rg) toward 100ppm acetone was 33 operated at 230°C and the response time was as short as 3s. The sensor exhibited remarkable acetone selectivity with negligible response toward other hazardous gases and water vapor. The high proportion of electron depletion region and oxygen vacancies contributed to high gas response sensitivity. The hollow and porous structure of dandelion-like ZnO spheres facilitated the diffusion of gas molecules, leading to a rapid response speed. The largely exposed (002) polar facets could adsorb acetone gas molecules easily and efficiently, resulting in a rapid response speed and good selectivity of hierarchical ZnO spheres gas sensor at low operating temperature. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Metal-Exchanged β Zeolites as Catalysts for the Conversion of Acetone to Hydrocarbons

    Directory of Open Access Journals (Sweden)

    Aurora J. Cruz-Cabeza

    2012-01-01

    Full Text Available Various metal-β zeolites have been synthesized under similar ion-exchange conditions. During the exchange process, the nature and acid strength of the used cations modified the composition and textural properties as well as the Brönsted and Lewis acidity of the final materials. Zeolites exchanged with divalent cations showed a clear decrease of their surface Brönsted acidity and an increase of their Lewis acidity. All materials were active as catalysts for the transformation of acetone into hydrocarbons. Although the protonic zeolite was the most active in the acetone conversion (96.8% conversion, the metal-exchanged zeolites showed varied selectivities towards different products of the reaction. In particular, we found the Cu-β to have a considerable selectivity towards the production of isobutene from acetone (over 31% yield compared to 7.5% of the protonic zeolite. We propose different reactions mechanisms in order to explain the final product distributions.

  4. Shock-Tube Measurement of Acetone Dissociation Using Cavity-Enhanced Absorption Spectroscopy of CO.

    Science.gov (United States)

    Wang, Shengkai; Sun, Kai; Davidson, David F; Jeffries, Jay B; Hanson, Ronald K

    2015-07-16

    A direct measurement for the rate constant of the acetone dissociation reaction (CH3COCH3 = CH3CO + CH3) was conducted behind reflected shock wave, utilizing a sub-ppm sensitivity CO diagnostic achieved by cavity-enhanced absorption spectroscopy (CEAS). The current experiment eliminated the influence from secondary reactions and temperature change by investigating the clean pyrolysis of <20 ppm acetone in argon. For the first time, the acetone dissociation rate constant (k1) was directly measured over 5.5 orders of magnitude with a high degree of accuracy: k1 (1004-1494 K, 1.6 atm) = 4.39 × 10(55) T(-11.394) exp(-52 140K/T) ± 24% s(-1). This result was seen to agree with most previous studies and has bridged the gap between their temperature and pressure conditions. The current work also served as an example demonstration of the potential of using the CEAS technique in shock-tube kinetics studies.

  5. Nitrogen-Containing Functional Groups-Facilitated Acetone Adsorption by ZIF-8-Derived Porous Carbon

    Directory of Open Access Journals (Sweden)

    Liqing Li

    2018-01-01

    Full Text Available Nitrogen-doped porous carbon (ZC is prepared by modification with ammonia for increasing the specific surface area and surface polarity after carbonization of zeolite imidazole framework-8 (ZIF-8. The structure and properties of these ZCs were characterized by Transmission electron microscopy, X-ray diffraction, N2 sorption, X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. Through static adsorption tests of these carbons, the sample obtained at 600 °C was selected as an excellent adsorbent, which exhibited an excellent acetone capacity of 417.2 mg g−1 (25 °C with a very large surface area and high-level nitrogen doping (13.55%. The microporosity, surface area and N-containing groups of the materials, pyrrolic-N, pyridinic-N, and oxidized-N groups in particular, were found to be the determining factors for acetone adsorption by means of molecular simulation with density functional theory. These findings indicate that N-doped microporous carbon materials are potential promising adsorbents for acetone.

  6. Problems induced by the use of acetone as a solvent to dose chlorpyrifos in a microecosystem

    NARCIS (Netherlands)

    Kersting, K.

    1995-01-01

    Recycling aquatic microecosystems consisting of three subsystems with a total volume of 7.5 L were used to study the effects of the insecticide chlorpyrifos. The poorly soluble chlorpyrifos was dosed dissolved in 0.5 ml of acetone. Acetone was found to be responsible for some of the observed

  7. trans-Carbonylchloridobis[dicyclohexyl(4-isopropylphenylphosphane]rhodium(I acetone monosolvate

    Directory of Open Access Journals (Sweden)

    Sizwe Makhoba

    2011-09-01

    Full Text Available The title rhodium Vaska-type complex, trans-[RhCl{P(C6H112(C6H4-4-C3H72}2(CO], crystallizes with an accompanying acetone solvent molecule. The metal atom shows a distorted square-planar coordination environment with selected important geometrical parameters of Rh—P = 2.3237 (6 and 2.3253 (6 Å, Rh—Cl = 2.3724 (6 Å, Rh—C = 1.802 (2 Å, P—Rh—P = 173.42 (2° and Cl—Rh—C = 179.13 (7°. Effective cone angles for the two P atoms are 165 and 161°, respectively. Both isopropyl groups and the acetone molecule are disordered with occupancy values of 0.523 (5:0.477 (5, 0.554 (8:0.446 (8 and 0.735 (4:0.265 (4, respectively. The crystal packing is stabilized by weak C—H...O and C—H...Cl contacts.

  8. Biological activities of Umbilicaria crustulosa (Ach. frey acetone extract

    Directory of Open Access Journals (Sweden)

    Zlatanović Ivana

    2017-01-01

    Full Text Available This paper reports for the first time the effect of an acetone extract of Umbilicaria crustulosa on the micronucleus distribution of human lymphocytes, and on the cholinesterase activity and antioxidant activity by the cupric ion reducing antioxidant capacity (CUPRAC method. Additionally, the total phenolic compounds (TPC and the antioxidant properties were estimated via DPPH, ABTS and TRP assays. Moreover, the antibacterial activity against two Gram-positive and three Gram-negative bacteria were determined. Acetone extract of U. crustulosa at concentration of 1 and 2 μg mL-1 decreased a frequency of micronuclei (MN by 10.8 and 16.8 %, respectively, acting more or slightly less than the synthetic protector amifostine (AMF, WR-2721, 11.4 %, at concentration of 1 μg mL-1. The tested extract did not inhibit cholinesterase activity nor did it exhibit activity toward the examined bacteria. The extract reduced the concentration of DPPH and ABTS radicals by 88.7 and 96.2 %, respectively. Values for total reducing power (TRP and cupric reducing capacity (CUPRAC were 0.6197±0.0166 μg ascorbic acid equivalents (AAE per mg of dry extract, and 19.7641±1.6546 μg trolox equivalents (TE per mg of dry extract, respectively. The total phenol content was 350.4188 ±14.587 μg gallic acid equivalents (GAE per mg of dry extract. The results of the present study showed that U. crustulosa acetone extract is a promising candidate for in vivo experiments considering its antioxidant activity and protective effect on human lymphocytes. [Projekat Ministarstva nauke Republike Srbije, br. 172047

  9. Theoretical studies of mechanisms of cycloaddition reaction between difluoromethylene carbene and acetone

    Science.gov (United States)

    Lu, Xiu Hui; Yu, Hai Bin; Wu, Wei Rong; Xu, Yue Hua

    Mechanisms of the cycloaddition reaction between singlet difluoromethylene carbene and acetone have been investigated with the second-order Møller-Plesset (MP2)/6-31G* method, including geometry optimization and vibrational analysis. Energies for the involved stationary points on the potential energy surface (PES) are corrected by zero-point energy (ZPE) and CCSD(T)/6-31G* single-point calculations. From the PES obtained with the CCSD(T)//MP2/6-31G* method for the cycloaddition reaction between singlet difluoromethylene carbene and acetone, it can be predicted that path B of reactions 2 and 3 should be two competitive leading channels of the cycloaddition reaction between difluoromethylene carbene and acetone. The former consists of two steps: (i) the two reactants first form a four-membered ring intermediate, INT2, which is a barrier-free exothermic reaction of 97.8 kJ/mol; (ii) the intermediate INT2 isomerizes to a four-membered product P2b via a transition state TS2b with an energy barrier of 24.9 kJ/mol, which results from the methyl group transfer. The latter proceeds in three steps: (i) the two reactants first form an intermediate, INT1c, through a barrier-free exothermic reaction of 199.4 kJ/mol; (ii) the intermediate INT1c further reacts with acetone to form a polycyclic intermediate, INT3, which is also a barrier-free exothermic reaction of 27.4 kJ/mol; and (iii) INT3 isomerizes to a polycyclic product P3 via a transition state TS3 with an energy barrier of 25.8 kJ/mol.

  10. Detection and sensing mechanism of acetone with modeling using Pd/TiO{sub 2}/Si structure

    Energy Technology Data Exchange (ETDEWEB)

    Yadava, Lallan, E-mail: nisaly06@rediffmail.com; Verma, Ritesh; Singh, Ravi S.

    2012-01-31

    A grided Pd/TiO{sub 2}/Si (Pdtisin) gas sensor is fabricated to detect hydrocarbons such as acetone, ethanol and trichloroethylene. The sensitivity measurements are carried out in various ambient (O{sub 2}, N{sub 2} and Ar) at room temperature which revealed that fabricated structure attains maximal response for acetone in contrast to other vapors examined. The study of ambient-effect on the device shows that it out-performs in oxygen ambient. A catalytic oxidation mechanism for detection of acetone with a model based upon Langmuir law of adsorption and Frenkel-Poole theory of electronic emission for the description of sensing behavior and vindication of experimental results have been proposed.

  11. Graphene oxide foams and their excellent adsorption ability for acetone gas

    International Nuclear Information System (INIS)

    He, Yongqiang; Zhang, Nana; Wu, Fei; Xu, Fangqiang; Liu, Yu; Gao, Jianping

    2013-01-01

    Graphical abstract: - Highlights: • GO and RGO foams were prepared using a simple and green method, unidirectional freeze-drying. • The porous structure of the foams can be adjusted by changing GO concentrations. • GO and RGO foams show good adsorption efficiency for acetone gas. - Abstract: Graphene oxide (GO) and reduced graphene oxide (RGO) foams were prepared using a unidirectional freeze-drying method. These porous carbon materials were characterized by thermal gravimetric analysis, differential scanning calorimetry, X-ray photoelectron spectroscopy and scanning electron microscopy. The adsorption behavior of the two kinds of foams for acetone was studied. The result showed that the saturated adsorption efficiency of the GO foams was over 100%, and was higher than that of RGO foams and other carbon materials

  12. Determination of acetone in saliva by reversed-phase liquid chromatography with fluorescence detection and the monitoring of diabetes mellitus patients with ketoacidosis.

    Science.gov (United States)

    Fujii, Shinya; Maeda, Toshio; Noge, Ichiro; Kitagawa, Yutaka; Todoroki, Kenichiro; Inoue, Koichi; Min, Jun Zhe; Toyo'oka, Toshimasa

    2014-03-20

    In diabetes mellitus (DM) patients with ketoacidosis, ketone bodies, i.e., acetone, acetoacetic acid (AA) and β-hydroxybutyric acid (HA), are increased in the blood and urine. Acetone is also excreted by breathing due to the spontaneous decomposition of AA. Thus, the increase in acetone has been considered as one of the biomarkers for the diagnosis of DM. However, the determination of acetone in one's breath is not recommended because of the sample handling difficulty. We measured acetone in saliva by reversed-phase liquid chromatography (LC) with fluorescence (FL) detection. The proposed method was applied to the determination of acetone in the saliva of healthy volunteers and DM patients with and without ketoacidosis. 3-Pentanone (I.S.) and DBD-H in acetonitrile were added to freshly collected saliva and reacted at room temperature for 20 min in the presence of trifluoroacetic acid. After the reaction, the solution was centrifuged at 10,000 × g and 4 °C for 5 min. The supernatant was separated by reversed-phase LC and the FL detected at 550 nm (excitation at 460 nm). The concentrations of acetone in the DM patients with ketoacidosis were significantly higher than those of the normal subjects and DM patients without ketoacidosis. Furthermore, the total contents of the ketone bodies in the blood correlated with acetone in the saliva of the DM patients. The concentrations of acetone in the saliva of an emergency patient also correlated with the ketone bodies in the blood at each sampling time. The proposed method using LC-FL seems to be useful for the determination of acetone in the saliva of DM patients with ketoacidosis. The method offers a new option for the diagnosis and monitoring of DM patients with ketoacidosis. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. A Sub-ppm Acetone Gas Sensor for Diabetes Detection Using 10 nm Thick Ultrathin InN FETs

    Science.gov (United States)

    Kao, Kun-Wei; Hsu, Ming-Che; Chang, Yuh-Hwa; Gwo, Shangjr; Yeh, J. Andrew

    2012-01-01

    An indium nitride (InN) gas sensor of 10 nm in thickness has achieved detection limit of 0.4 ppm acetone. The sensor has a size of 1 mm by 2.5 mm, while its sensing area is 0.25 mm by 2 mm. Detection of such a low acetone concentration in exhaled breath could enable early diagnosis of diabetes for portable physiological applications. The ultrathin InN epilayer extensively enhances sensing sensitivity due to its strong electron accumulation on roughly 5–10 nm deep layers from the surface. Platinum as catalyst can increase output current signals by 2.5-fold (94 vs. 37.5 μA) as well as reduce response time by 8.4-fold (150 vs. 1,260 s) in comparison with bare InN. More, the effect of 3% oxygen consumption due to breath inhalation and exhalation on 2.4 ppm acetone gas detection was investigated, indicating that such an acetone concentration can be analyzed in air. PMID:22969342

  14. A Negative Correlation Between Blood Glucose and Acetone Measured in Healthy and Type 1 Diabetes Mellitus Patient Breath.

    Science.gov (United States)

    Rydosz, Artur

    2015-07-01

    Exhaled acetone analysis has long been recognized as a supplementary tool for diagnosis and monitoring diabetes, especially type 1 diabetes. It is essential, therefore to determine the relationship between exhaled acetone concentration and glucose in blood. Usually, a direct linear correlation between this both compounds has been expected. However, in some cases we can observe a reverse correlation. When blood glucose was increasing, breath acetone declined. The breath analysis as a supplementary tool for diagnosing and monitoring diabetes makes sense only in case of utilization of portable analyzers. This need has created a market for gas sensors. However, commercially available acetone gas sensors are developed for measuring samples at several tens part per million. The exhaled acetone concentration was measured using commercial acetone gas sensor (TGS 822, 823 Figaro, Arlington Heights, IL, USA Inc) with micropreconcentrator in low temperature cofired ceramics. The reference analyzer-mass spectrometry (HPR-20 QIC, Hiden Analytical, Warrington, UK) was used. Twenty-two healthy volunteers with no history of any respiratory disease participated in the research, as did 31 patients diagnosed with type 1 diabetes. Respectively, 3 healthy volunteer and 5 type 1 diabetes mellitus subjects with reverse trend were selected. The linear fitting coefficient various from 0.1139 to 0.9573. Therefore, it is necessary to determine the correlation between blood glucose concentrations and under different conditions, for example, insulin levels, as well as correlate the results with clinical tests, for example, Hb1Ac. It is well known that the concentration of acetone is strongly influenced by diet, insulin treatment, and so on. Therefore, much more complex analysis with long-term measurements are required. Thus, presented results should be regarded as tentative, and validation studies with the analysis of clinical test and in a large number of patients, including control groups

  15. Electron spectra and mechanism of complexing of uranyl nitrate in water-acetone solutions

    International Nuclear Information System (INIS)

    Zazhogin, A.A.; Zazhogin, A.P.; Komyak, A.I.; Serafimovich, A.I.

    2003-01-01

    Based on the analysis of the luminescence and electronic absorption spectra, the processes of complexing in an aqueous solution of UO 2 (NO 3 ) 2 ·6H 2 O with small additions of acetone have been studied. In a pure aqueous solution, uranyl exists as the complex UO 2 ·5H 2 O. It is shown that the addition of acetone to the solution leads to the displacement of some water molecules out of the first coordination sphere of uranyl and the formation of the uranyl nitrate dihydrate complexes UO 2 (NO 3 ) 2 ·2H 2 O. It has been established that the stability of these complexes is determined by the decrease in the water activity and in the degree of hydration of uranyl and nitrate, which is the result of the local increase in the concentration of acetone molecules (due to their hydrophobicity) in the regions of the solution where uranyl and nitrate ions are found. The experimental facts supported the mechanism proposed are presented. (authors)

  16. Sensitive and selective cataluminescence-based sensor system for acetone and diethyl ether determination.

    Science.gov (United States)

    Wang, Qihui; Li, Bo; Wang, Yuhuai; Shou, Zhouxiang; Shi, Guolong

    2015-05-01

    A three-dimensional hierarchical CdO nanostructure with a novel bio-inspired morphology is reported. The field emission scanning electronic microscopy, transmission electron microscopy and X-ray diffractometer were employed to characterize the as-prepared samples. In gas-sensing measurements, acetone and diethyl ether were employed as target gases to investigate cataluminescence (CTL) sensing properties of the CdO nanostructure. The results show that the as-fabricated CdO nanostructure exhibited outstanding CTL properties such as stable intensity, high signal/noise values, short response and recovery time. The limit of detection of acetone and diethyl ether was ca. 6.5 ppm and 6.7 ppm, respectively, which was below the standard permitted concentrations. Additionally, a principal components analysis method was used to investigate the recognizable ability of the CTL sensor, and it was found that acetone and diethyl ether can be distinguished clearly. The performance of the bio-inspired CdO nanostructure-based sensor system suggested the promising application of the CdO nanostructure as a novel highly efficient CTL sensing material. Copyright © 2014 John Wiley & Sons, Ltd.

  17. Extraction of Oxytetracycline Hydrochloride in Aqueous Two-phase System of Acetone and Ammonium Sulfate

    International Nuclear Information System (INIS)

    Han, J.

    2013-01-01

    Summary: Aqueous two-phase system (ATPS) is an efficient implement for separation of various substrates, and extracted by an aqueous two-phase system has been successful ly applied in the downstream processing of various biological compounds. In this research, the extraction of oxytetracycline hydrochloride (OTC-HCl) was carried out in an aqueous two-phase system containing acetone and ammonium sulfate solution, which partitioned the antibiotic to the upper phase. The effects of some parameters on the extraction efficiency of OTC-HCl were studied in detail, including temperature, the volume of acetone, the pH value of ammonium sulfate solution, the concentrations of (NH/sub 4/)/sub 2/ SO/sub 4/ and OTC-HCl. The results showed that the volume of acetone, the pH value of ammonium sulfate solution and the concentration of OTC-HCl in feed had significant effects on the extraction efficiency of OTC-HCl, but the effects of temperature on the extraction of OTC-HCl was not obvious. (author)

  18. Extraction of Oxytetracycline Hydrochloride in Aqueous Two-phase System of Acetone and Ammonium Sulfate

    Energy Technology Data Exchange (ETDEWEB)

    Han, J. [Jiangsu Univ., Zhenjiang (China). Dept. of Food and Biological Engineering

    2013-02-15

    Summary: Aqueous two-phase system (ATPS) is an efficient implement for separation of various substrates, and extracted by an aqueous two-phase system has been successful ly applied in the downstream processing of various biological compounds. In this research, the extraction of oxytetracycline hydrochloride (OTC-HCl) was carried out in an aqueous two-phase system containing acetone and ammonium sulfate solution, which partitioned the antibiotic to the upper phase. The effects of some parameters on the extraction efficiency of OTC-HCl were studied in detail, including temperature, the volume of acetone, the pH value of ammonium sulfate solution, the concentrations of (NH/sub 4/)/sub 2/ SO/sub 4/ and OTC-HCl. The results showed that the volume of acetone, the pH value of ammonium sulfate solution and the concentration of OTC-HCl in feed had significant effects on the extraction efficiency of OTC-HCl, but the effects of temperature on the extraction of OTC-HCl was not obvious. (author)

  19. Inhalation developmental toxicology studies: Teratology study of acetone in mice and rats: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Mast, T.J.; Evanoff, J.J.; Rommereim, R.L.; Stoney, K.H.; Weigel, R.J.; Westerberg, R.B.

    1988-11-01

    Acetone, an aliphatic ketone, is a ubiquitous industrial solvent and chemical intermediate; consequently, the opportunity for human exposure is high. The potential for acetone to cause developmental toxicity was assessed in Sprague-Dawley rats exposed to 0, 440, 2200, or 11000 ppm, and in Swiss (CD-1) mice exposed to 0, 440, 2200, and 6600 ppm acetone vapors, 6 h/day, 7 days/week. Each of the four treatment groups consisted of 10 virgin females (for comparison), and approx.32 positively mated rats or mice. Positively mated mice were exposed on days 6-17 of gestation (dg), and rats on 6-19 dg. The day of plug or sperm detection was designated as 0 dg. Body weights were obtained throughout the study period, and uterine and fetal body weights were obtained at sacrifice (rats, 20 dg; mice, 18 dg). Implants were enumerated and their status recorded. Live fetuses were sexed and examined for gross, visceral, skeletal, and soft-tissue craniofacial defects. 46 refs., 6 figs., 27 tabs.

  20. Oxidative polymerization of lignins by laccase in water-acetone mixture.

    Science.gov (United States)

    Fiţigău, Ionița Firuța; Peter, Francisc; Boeriu, Carmen Gabriela

    2013-01-01

    The enzymatic oxidative polymerization of five technical lignins with different molecular properties, i.e. Soda Grass/Wheat straw Lignin, Organosolv Hardwood Lignin, Soda Wheat straw Lignin, Alkali pretreated Wheat straw Lignin, and Kraft Softwood was studied. All lignins were previously fractionated by acetone/water 50:50 (v/v) and the laccase-catalyzed polymerization of the low molecular weight fractions (Mw Reactivity of lignin substrates in laccase-catalyzed reactions was determined by monitoring the oxygen consumption. The oxidation reactions in 50% acetone in water mixture proceed with high rate for all tested lignins. Polymerization products were analyzed by size exclusion chromatography, FT-IR, and (31)P-NMR and evidence of important lignin modifications after incubation with laccase. Lignin polymers with higher molecular weight (Mw up to 17500 g/mol) were obtained. The obtained polymers have potential for applications in bioplastics, adhesives and as polymeric dispersants.

  1. Synthesis and evaluation of inhaled [11C]butane and intravenously injected [11C]acetone as potential radiotracers for studying inhalant abuse

    International Nuclear Information System (INIS)

    Gerasimov, Madina R.; Ferrieri, Richard A.; Pareto, Deborah; Logan, Jean; Alexoff, David; Ding Yushin

    2005-01-01

    The phenomenon of inhalant abuse is a growing problem in the US and many countries around the world. Yet, relatively little is known about the pharmacokinetic properties of inhalants that underlie their abuse potential. While the synthesis of 11 C-labeled toluene, acetone and butane has been proposed in the literature, none of these compounds has been developed as radiotracers for PET studies. In the present report we extend our previous studies with [ 11 C]toluene to include [ 11 C]acetone and [ 11 C]butane with the goal of comparing the pharmacokinetic profiles of these three volatile abused substances. Both [ 11 C]toluene and [ 11 C]acetone were administered intravenously and [ 11 C]butane was administered via inhalation to anesthesized baboons. Rapid and efficient uptake of radiolabeled toluene and acetone into the brain was followed by fast clearance in the case of toluene and slower kinetics in the case of acetone. [ 11 C]Butane was detected in the blood and brain following inhalation, but the levels of radioactivity in both tissues dropped to half of the maximal values over the period of less than a minute. To our knowledge, this is the first reported study of the in vivo brain pharmacokinetics of labeled acetone and butane in nonhuman primates. These data provide insight into the pharmacokinetic features possibly associated with the abuse liability of toluene, acetone and butane

  2. Chemical reactions in the nitrogen-acetone ice induced by cosmic ray analogues: relevance for the Solar system

    Science.gov (United States)

    de Barros, A. L. F.; Andrade, D. P. P.; da Silveira, E. F.; Alcantara, K. F.; Boduch, P.; Rothard, H.

    2018-02-01

    The radiolysis of 10:1 nitrogen:acetone mixture, condensed at 11 K, by 40 MeV 58Ni11 + ions is studied. These results are representative of studies concerning Solar system objects, such as transneptunian objects, exposed to cosmic rays. Bombardment by cosmic rays triggers chemical reactions leading to synthesis of larger molecules. In this work, destruction cross-sections of acetone and nitrogen molecules in solid phase are determined and compared with those for pure acetone. The N2 column density decreases very fast indicating that, under irradiation, nitrogen leaves quickly a porous sample. The most abundant molecular species formed in the radiolysis are C3H6, C2H6, N3, CO, CH4 and CO2. Some N-bearing species are also formed, but with low production yield. Dissolving acetone in nitrogen decreases the formation cross-sections of CH4, CO2 and H2CO, while increases those for CO and C2H6 species. This fact may explain the presence of C2H6 in Pluto's surface where CH4 is not pure, but diluted in an N2 matrix. The formation of more complex molecules, such as HNCO and, possibly, glycine is observed, suggesting the formation of small prebiotic species in objects beyond Neptune from acetone diluted in a N2 matrix irradiated by cosmic rays.

  3. Simultaneous determination of methanol, acetaldehyde, acetone, and ethanol in human blood by gas chromatography with flame ionization detection.

    Science.gov (United States)

    Schlatter, J; Chiadmi, F; Gandon, V; Chariot, P

    2014-01-01

    Methanol, acetaldehyde, acetone, and ethanol, which are commonly used as biomarkers of several diseases, in acute intoxications, and forensic settings, can be detected and quantified in biological fluids. Gas chromatography (GC)-mass spectrometry techniques are complex, require highly trained personnel and expensive materials. Gas chromatographic determinations of ethanol, methanol, and acetone have been reported in one study with suboptimal accuracy. Our objective was to improve the assessment of these compounds in human blood using GC with flame ionization detection. An amount of 50 µl of blood was diluted with 300 µl of sterile water, 40 µl of 10% sodium tungstate, and 20 µl of 1% sulphuric acid. After centrifugation, 1 µl of the supernatant was injected into the gas chromatograph. We used a dimethylpolysiloxane capillary column of 30 m × 0.25 mm × 0.25 µm. We observed linear correlations from 7.5 to 240 mg/l for methanol, acetaldehyde, and acetone and from 75 to 2400 mg/l for ethanol. Precision at concentrations 15, 60, and 120 mg/l for methanol, acetaldehyde, and acetone and 150, 600, and 1200 mg/ml for ethanol were 0.8-6.9%. Ranges of accuracy were 94.7-98.9% for methanol, 91.2-97.4% for acetaldehyde, 96.1-98.7% for acetone, and 105.5-111.6% for ethanol. Limits of detection were 0.80 mg/l for methanol, 0.61 mg/l for acetaldehyde, 0.58 mg/l for acetone, and 0.53 mg/l for ethanol. This method is suitable for routine clinical and forensic practices.

  4. Thermal and Ablative Properties of Ipns and Composites of High Ortho Resole Resin and Difurfurylidene Acetone

    Directory of Open Access Journals (Sweden)

    Tariq S. NAJIM

    2008-12-01

    Full Text Available High ortho resole resin was prepared by condensation of phenol with excess of formaldehyde in the presence of magnesium oxide as catalyst. Reaction of furfuraldehyde with acetone in basic medium led to difurfurylidene acetone (DFA. Their interpenetrating polymer network (IPNS were obtained by the reaction of predetermined quantities of difurfurylidene acetone and high ortho resole using p-toluene sulphonic acid (PTSA as curing agent. The thermal behavior of the resins was studied using thermogravimetry (TG under ambient and nitrogen atmospheres over a temperature range of (25-1000 Cº. It was observed that the IPN of 20% DFA – 80% resole has higher thermal stability than that of resole alone and the decomposition temperature was higher by 80 Cº. This behavior was attributed to highly cross linked structure and thermally stable backbone of ploy difurfurylidene acetone due to formation of ladder structure.Impregnation of chopped fiber glass type (E with the polymeric solutions was used to prepare their composites, and the ablative properties were investigated according to ASTM E-285 –80. It was observed that the IPN of (DFA- resol perform better than the resole composite alone.

  5. Investigation of hybrid plasma-catalytic removal of acetone over CuO/γ-Al2O3 catalysts using response surface method.

    Science.gov (United States)

    Zhu, Xinbo; Tu, Xin; Mei, Danhua; Zheng, Chenghang; Zhou, Jinsong; Gao, Xiang; Luo, Zhongyang; Ni, Mingjiang; Cen, Kefa

    2016-07-01

    In this work, plasma-catalytic removal of low concentrations of acetone over CuO/γ-Al2O3 catalysts was carried out in a cylindrical dielectric barrier discharge (DBD) reactor. The combination of plasma and the CuO/γ-Al2O3 catalysts significantly enhanced the removal efficiency of acetone compared to the plasma process using the pure γ-Al2O3 support, with the 5.0 wt% CuO/γ-Al2O3 catalyst exhibiting the best acetone removal efficiency of 67.9%. Catalyst characterization was carried out to understand the effect the catalyst properties had on the activity of the CuO/γ-Al2O3 catalysts in the plasma-catalytic reaction. The results indicated that the formation of surface oxygen species on the surface of the catalysts was crucial for the oxidation of acetone in the plasma-catalytic reaction. The effects that various operating parameters (discharge power, flow rate and initial concentration of acetone) and the interactions between these parameters had on the performance of the plasma-catalytic removal of acetone over the 5.0 wt% CuO/γ-Al2O3 catalyst were investigated using central composite design (CCD). The significance of the independent variables and their interactions were evaluated by means of the Analysis of Variance (ANOVA). The results showed that the gas flow rate was the most significant factor affecting the removal efficiency of acetone, whilst the initial concentration of acetone played the most important role in determining the energy efficiency of the plasma-catalytic process. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Acetone improves the topographical homogeneity of liquid phase exfoliated few-layer black phosphorus flakes.

    Science.gov (United States)

    Gomez Perez, Juan; Konya, Zoltan; Kukovecz, Akos

    2018-06-12

    Liquid phase exfoliation of 2D materials has issues related to the sorption of the solvent, the oxidation of the sample during storage, and the topographical inhomogeneity of the exfoliated material. N-methyl-2-pyrrolidone (NMP), a common solvent for black phosphorus (BP) exfoliation, has additional drawbacks like the formation of by-products during sonication and poor solvent volatility. Here we demonstrate an improvement in the topographical homogeneity (i.e. thickness and lateral dimensions) of NMP-exfoliated BP flakes after resuspension in acetone. The typical size of monolayers and bilayers stabilised in acetone was 99.8±27.4 nm and 159.1±57 nm, respectively. These standard deviations represent a threefold improvement over those of the NMP-exfoliated originals. Phosphorene can also be exfoliated directly in acetone by very long ultrasonication. The product suspension enjoys the same dimensional homogeneity benefits, which confirms that this effect is an intrinsic property of the acetone-BP system. The quality and stability of the exfoliated flakes was checked by XRD, TEM, electron diffraction and Raman spectroscopy. Thermal expansion coefficients of the A1g, B2g and A2g Raman modes were calculated for drop-casted samples as -0.01828 cm-1/K, -0.03056 cm-1/K and -0.03219 cm-1/K, respectively. The flakes withstand 20 minutes in O2 flow at 373 K without lattice distortion. . © 2018 IOP Publishing Ltd.

  7. Ionic liquid 1-hexyl-3-methylimidazolium hexafluorophosphate, an efficient solvent for extraction of acetone from aqueous solutions

    International Nuclear Information System (INIS)

    Saien, Javad; Badieh, Marjan Mohammadi Sarab; Norouzi, Mahdi; Salehzadeh, Sadegh

    2015-01-01

    Highlights: • The use of HMIMPF_6 as a green ionic was feasible in the extraction of acetone from water. • The binodal curves were determined by cloud point measurement method. • High level separation factor of acetone between the ionic liquid and water were achieved. • The thermodynamic properties of HMIMPF_6 were obtained by the Density Functional Theory calculations. • The NRTL and UNIQUAC models were applied satisfactorily to correlate the equilibrium data. - Abstract: (Liquid + liquid) equilibrium (LLE) of the chemical system of {water + acetone + 1-Hexyl-3-methylimidazolium hexafluorophosphate (HMIMPF_6) ionic liquid} was studied at different temperatures of (293.2, 298.2 and 303.2) K and under atmospheric pressure of 81.5 kPa. The results show that HMIMPF_6 provides the acetone distribution coefficient and separation factor values within (0.8813 to 1.2351) and (3.0 to 54.4), respectively; indicating the high capability of the ionic liquid for extraction of acetone from aqueous solutions. In most cases, acetone solubility in the ionic liquid is higher than in water, especially at higher solute concentrations. Meanwhile, higher separation factor is relevant to the lower temperature due to lower (water + ionic liquid) miscibility. The consistency of tie line data, at each temperature, was examined with Othmer–Tobias correlation. The values were nicely reproduced with the well-known NRTL and UNIQUAC models. Accordingly, the required thermodynamic properties of HMIMPF_6 were obtained by the Density Functional Theory (DFT) calculations, carried out at the M06/6-311++G"∗"∗ level of theory. The root mean square deviations (RMSD) between experimental and model concentration values were 0.0192 and 0.0255, respectively; indicating close agreement of the both models.

  8. Electrolytically exfoliated graphene-loaded flame-made Ni-doped SnO2 composite film for acetone sensing.

    Science.gov (United States)

    Singkammo, Suparat; Wisitsoraat, Anurat; Sriprachuabwong, Chakrit; Tuantranont, Adisorn; Phanichphant, Sukon; Liewhiran, Chaikarn

    2015-02-11

    In this work, flame-spray-made SnO2 nanoparticles are systematically studied by doping with 0.1-2 wt % nickel (Ni) and loading with 0.1-5 wt % electrolytically exfoliated graphene for acetone-sensing applications. The sensing films (∼12-18 μm in thickness) were prepared by a spin-coating technique on Au/Al2O3 substrates and evaluated for acetone-sensing performances at operating temperatures ranging from 150 to 350 °C in dry air. Characterizations by X-ray diffraction, transmission/scanning electron microscopy, Brunauer-Emmett-Teller analysis, X-ray photoelectron spectroscopy and Raman spectroscopy demonstrated that Ni-doped SnO2 nanostructures had a spheriodal morphology with a polycrystalline tetragonal SnO2 phase, and Ni was confirmed to form a solid solution with SnO2 lattice while graphene in the sensing film after annealing and testing still retained its high-quality nonoxidized form. Gas-sensing results showed that SnO2 sensing film with 0.1 wt % Ni-doping concentration exhibited an optimal response of 54.2 and a short response time of ∼13 s toward 200 ppm acetone at an optimal operating temperature of 350 °C. The additional loading of graphene at 5 wt % into 0.1 wt % Ni-doped SnO2 led to a drastic response enhancement to 169.7 with a very short response time of ∼5.4 s at 200 ppm acetone and 350 °C. The superior gas sensing performances of Ni-doped SnO2 nanoparticles loaded with graphene may be attributed to the large specific surface area of the composite structure, specifically the high interaction rate between acetone vapor and graphene-Ni-doped SnO2 nanoparticles interfaces and high electronic conductivity of graphene. Therefore, the 5 wt % graphene loaded 0.1 wt % Ni-doped SnO2 sensor is a promising candidate for fast, sensitive and selective detection of acetone.

  9. Determination of the two methyl group orientations at vapor/acetone interface with polarization null angle method in SFG vibrational spectroscopy

    Science.gov (United States)

    Chen, Hua; Gan, Wei; Wu, Bao-hua; Wu, Dan; Zhang, Zhen; Wang, Hong-fei

    2005-06-01

    We report a direct measurement of the orientation of the two CH 3 groups of acetone molecule at the vapor/acetone interface. The interfacial acetone molecule is found well-ordered, with one methyl group points away around 14.4° ± 1.9° and another into the bulk liquid around 102.8° ± 1.9° from the interface normal, and thus the C dbnd O group points into the bulk around 135.8° ± 1.9°. These results directly confirmed the highly ordered and even crystal like interfacial structure of the vapor/acetone interface from previous MD simulation. The general formulation and accurate determination of the orientational parameter D can be used to treat interfaces with complex molecular orientations.

  10. Toluene metabolism in isolated rat hepatocytes: effects of in vivo pretreatment with acetone and phenobarbital

    Energy Technology Data Exchange (ETDEWEB)

    Smith-Kielland, A.; Ripel, A. (National Inst. of Forensic Toxicology, Oslo (Norway))

    1993-02-01

    Hepatocytes isolated from control, acetone- and phenobarbital-pretreated rats were used to study the metabolic conversion of toluene to benzyl alcohol, benzaldehyde, benzoic acid and hippuric acid at low (<100 [mu]M) and high (100-500 [mu]M) toluene concentrations. The baseline formation rates of toluene metabolites (benzyl alcohol, benzoic acid and hippuric acid) were 2.9[+-]1.7 and 10.0[+-]2.3 nmol/mg cell protein/60 min at low and high toluene concentrations, respectively. In vivo pretreatment of rats with acetone and phenobarbital increased the formation of metabolites: at low toluene concentrations 3- and 5-fold, respectively; at high toluene concentrations no significant increase (acetone) and 8-fold increase (phenobarbital). Apparent inhibition by ethanol, 7 and 60 mM, was most prominent at low toluene concentrations: 63% and 69%, respectively, in control cells; 84% and 91% in acetone-pretreated cells, and 32% (not significant) and 51% in phenobarbital-pretreated cells. Ethanol also caused accumulation of benzyl alcohol. The apparent inhibition by isoniazid was similar to that of ethanol at low toluene concentrations. Control and acetone-pretreated cells were apparently resistant towards metyrapone; the decrease was 49% and 64% in phenobarbital-pretreated cells at low and high toluene concentrations, respectively. In these cells, the decrease in presence of combined ethanol and metyrapone was 95% (low toluene concentrations). 4-Methylpyrazole decreased metabolite formation extensively in all groups. Benzaldehyde was only found in the presence of an aldehyde dehydrogenase inhibitor. Increased ratio benzoic/hippuric acid was observed at high toluene concentrations. These results demonstrate that toluene oxidation may be studied by product formation in isolated hepatocytes. However, the influence of various enzymes in the overall metabolism could not be ascertained due to lack of inhibitor specificity. (orig.).

  11. Working-up sugar-beet molasses in the acetone-butyl alcohol plants in Poland

    Energy Technology Data Exchange (ETDEWEB)

    Logotkin, I S; Zaritskii, I M

    1959-01-01

    The basic setup common to all Polish acetone and butanol plants is the addition of rye or wheat meal to the fermentation. A culture of Clostridium acetobutylicum, after spore formation, is mixed in a special apparatus with the meal, where it is kept for 18 hours at 37/sup 0/ and then treated with molasses; a culture is prepared which is used later in the fermentor. Independently a mixture of meal and molasses is mixed in an autoclave with H/sub 2/O, sterilized, and cooled. The resulting mash is mixed in the fermentor with the culture mentioned, where the fermentation liberates CO/sub 2/ and hydrogen which are recovered. The mixture is then heated, distilled, and rectified, where, in addition to slops, the desired products are obtained. The Polish plants figure that for each long ton of sugar contained in the molasses they recover butyl alcohol 178.0, acetone 83.7, and ethanol 7.3kg, and they use in addition to the molasses and bacilli cultures 58.4 tons of steam and 16 kg of NaOH long ton of the acetone-butyl alcohol mixture recovered.

  12. DSC and curing kinetics study of epoxy grouting diluted with furfural -acetone slurry

    Science.gov (United States)

    Yin, H.; Sun, D. W.; Li, B.; Liu, Y. T.; Ran, Q. P.; Liu, J. P.

    2016-07-01

    The use of furfural-acetone slurry as active diluents of Bisphenol-A epoxy resin (DGEBA) groutings has been studied by dynamic and non-isothermal DSC for the first time. Curing kinetics study was investigated by non-isothermal differential scanning calorimetries at different heating rates. Activation enery (Ea) was calculated based on Kissinger and Ozawa Methods, and the results showed that Ea increased from 58.87 to 71.13KJ/mol after the diluents were added. The furfural-acetone epoxy matrix could cure completely at the theoretical curing temperature of 365.8K and the curing time of 139mins, which were determined by the kinetic model parameters.

  13. Histochemical detection of GM1 ganglioside using cholera toxin-B subunit. Evaluation of critical factors optimal for in situ detection with special emphasis to acetone pre-extraction

    Science.gov (United States)

    Petr, T.; Šmíd, V.; Šmídová, J.; Hůlková, H.; Jirkovská, M.; Elleder, M.; Muchová, L.; Vítek, L.; Šmíd, F.

    2010-01-01

    A comparison of histochemical detection of GM1 ganglioside in cryostat sections using cholera toxin B-subunit after fixation with 4% formaldehyde and dry acetone gave tissue-dependent results. In the liver no pre-treatment showed detectable differences related to GM1 reaction products, while studies in the brain showed the superiority of acetone pre-extraction (followed by formaldehyde), which yielded sharper images compared with the diffuse, blurred staining pattern associated with formaldehyde. Therefore, the aim of our study was to define the optimal conditions for the GM1 detection using cholera toxin B-subunit. Ganglioside extractability with acetone, the ever neglected topic, was tested comparing anhydrous acetone with acetone containing admixture of water. TLC analysis of acetone extractable GM1 ganglioside from liver sections did not exceed 2% of the total GM1 ganglioside content using anhydrous acetone at −20°C, and 4% at room temperature. The loss increased to 30.5% using 9:1 acetone/water. Similarly, photometric analysis of lipid sialic acid, extracted from dried liver homogenates with anhydrous acetone, showed the loss of gangliosides into acetone 3.0±0.3% only. The loss from dried brain homogenate was 9.5±1.1%. Thus, anhydrous conditions (dry tissue samples and anhydrous acetone) are crucial factors for optimal in situ ganglioside detection using acetone pre-treatment. This ensures effective physical fixation, especially in tissues rich in polar lipids (precipitation, prevention of in situ diffusion), and removal of cholesterol, which can act as a hydrophobic blocking barrier. PMID:20558344

  14. Histochemical detection of GM1 ganglioside using cholera toxin-B subunit. Evaluation of critical factors optimal for in situ detection with special emphasis to acetone pre-extraction

    Directory of Open Access Journals (Sweden)

    T. Petr

    2010-05-01

    Full Text Available A comparison of histochemical detection of GM1 ganglioside in cryostat sections using cholera toxin B-subunit after fixation with 4% formaldehyde and dry acetone gave tissue-dependent results. In the liver no pre-treatment showed detectable differences related to GM1 reaction products, while studies in the brain showed the superiority of acetone pre-extraction (followed by formaldehyde, which yielded sharper images compared with the diffuse, blurred staining pattern associated with formaldehyde. Therefore, the aim of our study was to define the optimal conditions for the GM1 detection using cholera toxin B-subunit. Ganglioside extractability with acetone, the ever neglected topic, was tested comparing anhydrous acetone with acetone containing admixture of water. TLC analysis of acetone extractable GM1 ganglioside from liver sections did not exceed 2% of the total GM1 ganglioside content using anhydrous acetone at -20°C, and 4% at room temperature. The loss increased to 30.5% using 9:1 acetone/water. Similarly, photometric analysis of lipid sialic acid, extracted from dried liver homogenates with anhydrous acetone, showed the loss of gangliosides into acetone 3.0±0.3% only. The loss from dried brain homogenate was 9.5±1.1%. Thus, anhydrous conditions (dry tissue samples and anhydrous acetone are crucial factors for optimal in situ ganglioside detection using acetone pre-treatment. This ensures effective physical fixation, especially in tissues rich in polar lipids (precipitation, prevention of in situ diffusion, and removal of cholesterol, which can act as a hydrophobic blocking barrier.

  15. Photocatalytic degradation of acetone and butane on mesoporous titania layers

    Czech Academy of Sciences Publication Activity Database

    Štengl, Václav; Houšková, Vendula; Bakardjieva, Snejana; Murafa, Nataliya

    2010-01-01

    Roč. 34, č. 9 (2010), s. 1999-2005 ISSN 1144-0546 R&D Projects: GA ČR GA203/08/0334 Institutional research plan: CEZ:AV0Z40320502 Keywords : thin-films * gaseous acetone * oxidation * TIO2 Subject RIV: CA - Inorganic Chemistry Impact factor: 2.631, year: 2010

  16. Breath acetone concentration; biological variability and the influence of diet

    Czech Academy of Sciences Publication Activity Database

    Španěl, Patrik; Dryahina, Kseniya; Rejšková, A.; Chippendale, T. W. E.; Smith, D.

    2011-01-01

    Roč. 32, č. 8 (2011), N23-N31 ISSN 0967-3334 R&D Projects: GA ČR GP203/09/P172 Institutional research plan: CEZ:AV0Z40400503 Keywords : acetone * breath * ketogenic diet Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.677, year: 2011

  17. Kinetic Model of Resin-Catalyzed Decomposition of Acetone Cyanohydrin in Organic Solvent

    Institute of Scientific and Technical Information of China (English)

    章亭洲; 杨立荣; 朱自强; 吴坚平

    2003-01-01

    Decomposition of acetone cyanohydrin is the first-step reaction for preparing (S)-α-cyano-3-phenoxybenzyl alcohol (CPBA) by the one-pot method in organic media. Considering the compatibility of biocatalysts with chemical catalysts and the successive operation in the bioreactor, anion exchange resin (D301) was used as catalyst for this reaction. External diffusion limitation was excluded by raising rotational speed to higher than 190r·min-1 in both solvents. Internal diffusion limitation was verified to be insignificant in this reaction system. The effect of acetone cyanohydrin concentration on the reaction was also investigated. An intrinsic kinetic model was proposed when the mass transfer limitation was excluded, and the average deviation of the model is 10.5%.

  18. Regeneration of granular activated carbon saturated with acetone and isopropyl alcohol via a recirculation process under H2O2/UV oxidation.

    Science.gov (United States)

    Horng, Richard S; Tseng, I-Chin

    2008-06-15

    This study examines a water-based system, coupling an adsorber and a photoreactor, for regeneration of granular activated carbon (GAC) saturated with acetone and isopropyl alcohol (IPA). Through water recirculation the regeneration reaction was operated in both intermittent and continuous ultraviolet illumination modes. With a periodic dosage of hydrogen peroxide not only was regeneration efficient but it was also catalyzed by GAC in the adsorber. The concentrations of acetone, solution chemical oxygen demand (COD), pH and organic residues on GAC surfaces were measured during regenerations. Both pH and solution COD were found to correlate with regeneration completion as measured by organic residue on GAC surfaces in four regeneration cycles with acetone. Solution pH decreased to the acidic values and then returned to near its original value when organic residues were 0.085-0.255 mg/g GAC, that is, destruction efficiency of adsorbed acetone on the GAC surface was more than 99%. Likewise, solution COD became low (properties in each of eight cycles: adsorptive capacities were 95+/-7 mg acetone/g GAC and 87+/-3 mg IPA/g GAC, and breakthrough time was 0.86+/-0.05 for acetone and 0.78+/-0.03 h for IPA. An economic assessment of the system showed that the operating cost was about 0.04 USD for treating every gram of acetone in the air.

  19. Toxicity study of di(2-ethylhexyl)phthalate (DEHP) in combination with acetone in rats

    DEFF Research Database (Denmark)

    Dalgaard, M.; Østergaard, G.; Lam, Henrik Rye

    2000-01-01

    In two separate studies with exposure duration 9 weeks or 4 weeks, male Wistar rats were dosed with di(2-ethylhexyl)phthalate (DEHP) by gavage and exposed to drinking water with or without acetone (0.5% wt/v in the 9-week study, 1.0% wt/v in the 4-week study). In the 9-week study the doses of DEHP...... were 0, 125, 250, 500 or 1000 mg/kg b.wt. In the 4-week study the doses of DEHP were increased to 1000, 5000 and 10,000 mg/kg b.wt. In the 9-week study, the relative liver weight was increased in the rats exposed to 500 and 1000 mg/kg b.wt. No interaction of DEHP and acetone was observed in any...... of the measured parameters. In the 4-week study DEHP, at the highest dose level, resulted in severe general toxicity. The group exposed to DEHP in combination with acetone was more affected. Male fertility was decreased. Body weight was decreased, and the relative weight of the liver, kidney, heart, brain...

  20. α-chymotrypsin in water-acetone and water-dimethyl sulfoxide mixtures: Effect of preferential solvation and hydration.

    Science.gov (United States)

    Sirotkin, Vladimir A; Kuchierskaya, Alexandra A

    2017-10-01

    We investigated water/organic solvent sorption and residual enzyme activity to simultaneously monitor preferential solvation/hydration of protein macromolecules in the entire range of water content at 25°C. We applied this approach to estimate protein destabilization/stabilization due to the preferential interactions of bovine pancreatic α-chymotrypsin with water-acetone (moderate-strength H-bond acceptor) and water-DMSO (strong H-bond acceptor) mixtures. There are three concentration regimes for the dried α-chymotrypsin. α-Chymotrypsin is preferentially hydrated at high water content. The residual enzyme activity values are close to 100%. At intermediate water content, the dehydrated α-chymotrypsin has a higher affinity for acetone/DMSO than for water. Residual enzyme activity is minimal in this concentration range. The acetone/DMSO molecules are preferentially excluded from the protein surface at the lowest water content, resulting in preferential hydration. The residual catalytic activity in the water-poor acetone is ∼80%, compared with that observed after incubation in pure water. This effect is very small for the water-poor DMSO. Two different schemes are operative for the hydrated enzyme. At high and intermediate water content, α-chymotrypsin exhibits preferential hydration. However, at intermediate water content, in contrast to the dried enzyme, the initially hydrated α-chymotrypsin possesses increased preferential hydration parameters. At low water content, no residual enzyme activity was observed. Preferential binding of DMSO/acetone to α-chymotrypsin was detected. Our data clearly demonstrate that the hydrogen bond accepting ability of organic solvents and the protein hydration level constitute key factors in determining the stability of protein-water-organic solvent systems. © 2017 Wiley Periodicals, Inc.

  1. Multi-shelled ZnCo2O4 yolk-shell spheres for high-performance acetone gas sensor

    Science.gov (United States)

    Xiong, Ya; Zhu, Zongye; Ding, Degong; Lu, Wenbo; Xue, Qingzhong

    2018-06-01

    In the present study, multi-shelled ZnCo2O4 yolk-shell spheres have been successfully prepared by using carbonaceous microspheres as templates. It is found that the multi-shelled ZnCo2O4 yolk-shell spheres based sensor shows optimal sensing performances (response value of 38.2, response/recovery time of 19 s/71 s) toward 500 ppm acetone at 200 °C. In addition, this sensor exhibits a low detection limit of 0.5 ppm acetone (response value of 1.36) and a good selectivity toward hydrogen, methane, ethanol, ammonia and carbon dioxide. Furthermore, it is demonstrated that acetone gas response of multi-shelled ZnCo2O4 yolk-shell spheres is significantly better than that of ZnCo2O4 nanotubes and ZnCo2O4 nanosheets. High acetone response of the multi-shelled ZnCo2O4 yolk-shell spheres is attributed to the enhanced gas accessibility of the multi-shell morphology caused by the small crystalline size and high specific surface area while the short response/recovery time is mainly related to the rapid gas diffusion determined by the highly porous structure. Our work puts forward an exciting opportunity in designing various yolk-shelled structures for multipurpose applications.

  2. Thermodynamics and economic feasibility of acetone production from syngas using the thermophilic production host Moorella thermoacetica

    DEFF Research Database (Denmark)

    Redl, Stephanie Maria Anna; Sukumara, Sumesh; Ploeger, Tom

    2017-01-01

    -gas via condensation. Results: In this study we analyzed the production of acetone from syngas with the hypothetical production host derived from Moorella thermoacetica in a bubble column reactor at 60 degrees C with respect to thermodynamic and economic feasibility. We determined the cost of syngas...... production from basic oxygen furnace (BOF) process gas, from natural gas, and from corn stover and identified BOF gas as an economically interesting source for syngas. Taking gasliquid mass transfer limitations into account, we applied a thermodynamics approach to derive the CO to acetone conversion rate...... under the process conditions. We estimated variable costs of production of 389 $/t acetone for a representative production scenario from BOF gas with costs for syngas as the main contributor. In comparison, the variable costs of production from natural gas-and corn stover-derived syngas were determined...

  3. Analysis of O-Glycopeptides by Acetone Enrichment and Capillary Electrophoresis-Mass Spectrometry.

    Science.gov (United States)

    Mancera-Arteu, Montserrat; Giménez, Estela; Benavente, Fernando; Barbosa, José; Sanz-Nebot, Victòria

    2017-11-03

    Acetone precipitation was evaluated as a rapid, simple, low-cost, and efficient method for the selective purification of O-glycopeptides from enzymatic digests of glycoproteins. Ovalbumin (OVA), human and bovine α 1 -acid glycoprotein (hAGP and bAGP), human apolipoprotein C-III (APO-C3), and recombinant human erythropoietin (rhEPO) were used to obtain enzymatic digests with a broad and varied set of peptides, N-glycopeptides, and O-glycopeptides. After digestion and before capillary electrophoresis mass spectrometry (CE-MS) analysis, the amount of ice-cold acetone added to the digests was optimized to maximize recoveries of O-glycopeptides. Furthermore, the different behavior of peptides, N- and O-glycopeptides was explained by studying with multivariate data analysis methods the influence of several physicochemical parameters and properties related to their composition and structure. Principal component analysis (PCA) and, afterward, partial least-squares discriminant analysis (PLS-DA) were used to identify the most significant variables and their importance to differentiate between peptides, N-glycopeptides and O-glycopeptides, or within these classes. This information was useful to understand precipitation of these compounds after addition of acetone and for the selection of the optimal conditions for purification of specific O-glycopeptide biomarkers. Special attention was paid to O 126 -glycopeptide glycoforms of rhEPO because of their applicability in biopharmaceutical quality control and doping analysis.

  4. Butanol-acetone fermentation. Bibliographic synthesis and current trends

    Energy Technology Data Exchange (ETDEWEB)

    Marchal, R. (Institut Francais du Petrole, Rueil-Malmaison (France))

    This article gives a synthesis of what is known about butyl-acetone fermentation from both the microbiological and technological standpoints. Different aspects of the metabolism of the microorganism used and of how it is regulated are considered. The performances of fermentation on traditional substrates (cornmeal or molasses) are compared with those recently obtained using Jerusalem artichokes at Institut Francais du Petrole as part of a new project on this fermentation for the purpose of producing substitute fuel.

  5. In-cloud multiphase behaviour of acetone in the troposphere: gas uptake, Henry's law equilibrium and aqueous phase photooxidation.

    Science.gov (United States)

    Poulain, Laurent; Katrib, Yasmine; Isikli, Estelle; Liu, Yao; Wortham, Henri; Mirabel, Philippe; Le Calvé, Stéphane; Monod, Anne

    2010-09-01

    Acetone is ubiquitous in the troposphere. Several papers have focused in the past on its gas phase reactivity and its impact on tropospheric chemistry. However, acetone is also present in atmospheric water droplets where its behaviour is still relatively unknown. In this work, we present its gas/aqueous phase transfer and its aqueous phase photooxidation. The uptake coefficient of acetone on water droplets was measured between 268 and 281K (γ=0.7 x 10(-2)-1.4 x 10(-2)), using the droplet train technique coupled to a mass spectrometer. The mass accommodation coefficient α (derived from γ) was found in the range (1.0-3.0±0.25) x 10(-2). Henry's law constant of acetone was directly measured between 283 and 298K using a dynamic equilibrium system (H((298K))=(29±5)Matm(-1)), with the Van't Hoff expression lnH(T)=(5100±1100)/T-(13.4±3.9). A recommended value of H was suggested according to comparison with literature. The OH-oxidation of acetone in the aqueous phase was carried out at 298K, under two different pH conditions: at pH=2, and under unbuffered conditions. In both cases, the formation of methylglyoxal, formaldehyde, hydroxyacetone, acetic acid/acetate and formic acid/formate was observed. The formation of small amounts of four hydroperoxides was also detected, and one of them was identified as peroxyacetic acid. A drastic effect of pH was observed on the yields of formaldehyde, one hydroperoxide, and, (to a lesser extent) acetic acid/acetate. Based on the experimental observations, a chemical mechanism of OH-oxidation of acetone in the aqueous phase was proposed and discussed. Atmospheric implications of these findings were finally discussed. Copyright © 2010 Elsevier Ltd. All rights reserved.

  6. Temperature Programmed Desorption of Quench-condensed Krypton and Acetone in Air; Selective Concentration of Ultra-trace Gas Components.

    Science.gov (United States)

    Suzuki, Taku T; Sakaguchi, Isao

    2016-01-01

    Selective concentration of ultra-trace components in air-like gases has an important application in analyzing volatile organic compounds in the gas. In the present study, we examined quench-condensation of the sample gas on a ZnO substrate below 50 K followed by temperature programmed desorption (TPD) (low temperature TPD) as a selective gas concentration technique. We studied two specific gases in the normal air; krypton as an inert gas and acetone as a reactive gas. We evaluated the relationship between the operating condition of low temperature TPD and the lowest detection limit. In the case of krypton, we observed the selective concentration by exposing at 6 K followed by thermal desorption at about 60 K. On the other hand, no selectivity appeared for acetone although trace acetone was successfully concentrated. This is likely due to the solvent effect by a major component in the air, which is suggested to be water. We suggest that pre-condensation to remove the water component may improve the selectivity in the trace acetone analysis by low temperature TPD.

  7. Effects of acetone-soaking treatment on the performance of polymer solar cells based on P3HT/PCBM bulk heterojunction

    International Nuclear Information System (INIS)

    Liu Yu-Xuan; Lü Long-Feng; Ning Yu; Lu Yun-Zhang; Lu Qi-Peng; Zhang Chun-Mei; Fang Yi; Hu Yu-Feng; Lou Zhi-Dong; Teng Feng; Hou Yan-Bing; Tang Ai-Wei

    2014-01-01

    The improvement of the acetone-soaking treatment to the performance of polymer solar cells based on the P3HT/PCBM bulk heterojunction is reported. Undergoing acetone-soaking, the PCBM does not distribute uniformly in the vertical direction, a PCBM enrichment layer forms on the top of the active layer, which is beneficial to the collection of the carriers and blocking the inverting diffusion carriers. X-ray photoelectron spectroscopy (XPS) analysis reveals that the PCBM weight ratio on the top of the active layer increases by 20% after the acetone-soaking treatment. Due to the nonuniform distribution of PCBM, the short-circuit current density, the open-circuit voltage, and the fill factor are enhanced significantly. Finally, the power conversion efficiency of the acetone-soaking device increases by 31% compared with the control device. (interdisciplinary physics and related areas of science and technology)

  8. Lithium isotope effects in cation exchange chromatography of lithium lactate in water-dimethyl sulfoxide and water-acetone mixed solvent media

    International Nuclear Information System (INIS)

    Oi, Takao; Kondoh, Akiko; Ohno, Etsuko; Hosoe, Morikazu

    1993-01-01

    Lithium isotope separation by ion exchange displacement chromatography of lithium lactate in water-dimethyl sulfoxide (DMSO) and water-acetone mixed solvent media at 25 C was explored. In both the water-DMSO and water-acetone system, the single stage isotope separation factor (S) was a convex function of the mixing ratio of the solvents in the external solution phase; S had its maximum value of 1.00254 at water: DMSO=25:75 v/v and 1.00182 at water: acetone=75:25 v/v. Strong correlations of S with solvent partitions between the solution and the exchanger phases were found in both systems, which was qualitatively explainable by considering the lithium isotope distributions between the two phases based on the fundamental lithium isotope effects and the relative affinities of water, DMSO and acetone towards the lithium ion. (orig.)

  9. KINETIC STUDY OF SELECTIVE GAS-PHASE OXIDATION OF ISOPROPANOL TO ACETONE USING MONOCLINIC ZRO2 AS A CATALYST

    Directory of Open Access Journals (Sweden)

    Mohammad Sadiq

    2015-08-01

    Full Text Available Zirconia was prepared by a precipitation method and calcined at 723 K, 1023 K, and 1253 K in order to obtain monoclinic zirconia. The prepared zirconia was characterized by XRD, SEM, EDX, surface area and pore size analyzer, and particle size analyzer. Monoclinic ZrO2 as a catalyst was used for the gas-phase oxidation of isopropanol to acetone in a Pyrex-glass-flow-type reactor with a temperature range of 443 K - 473 K. It was found that monoclinic ZrO2 shows remarkable catalytic activity (68% and selectivity (100% for the oxidation of isopropanol to acetone. This kinetic study reveals that the oxidation of isopropanol to acetone follows the L-H mechanism.

  10. Fermentation of molasses-flour mashes by acetone-butanol bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Chekasina, E V

    1962-01-01

    With Clostridium acetobutylicum used in a continuous fermentation, where the mash passes through 5 to 12 fermenters, sufficient conversion of starch to mono- and disaccharides will occur; the number of fermenters were chosen and mash changed so that fresh mash remains for 34 hours in the cycle. After a 29 hour fermentation average yields were: acetone 4.5, ethanol 3.0, butanol 7.5%.

  11. Analysis of the origin and importance of acetone and isopropanol levels in the blood of the deceased for medico-legal testimony.

    Science.gov (United States)

    Borowska-Solonynko, A; Siwińska-Ziółkowska, A; Piotrkowicz, M; Wysmołek, M; Demkow, M

    2014-01-01

    The aim of the study was to analyze the incidence of acetone and isopropanol in the blood of the deceased, and to assess cases in which the compounds have been detected with a focus on their origin and usefulness for medico-legal testimony. The study material consisted of results of tests detecting ethyl alcohol and reports of autopsies performed at the Department of Forensic Medicine, Medical University of Warsaw, from January 2008 to April 2009 - a total of 2,475 cases. The test group proper (group B) comprised only those cases in which acetone was detected in blood, either with or without isopropanol [n = 202 (8.2%)]. The blood levels of isopropanol varied depending on the cause of death. The need for differentiating the origin of isopropanol in the case of its presence in the blood of the deceased was pointed out. The results of the present study show that the differentiation should be based on the isopropanol and acetone concentration ratio, as isopropanol concentration alone is not sufficient for preparing expert opinions. Even high concentrations of isopropanol, when accompanied by even higher concentrations of acetone, imply that isopropanol could have been formed as a result of acetone transformations. Isopropanol concentrations exceeding acetone levels strongly point to the exogenous origin of isopropanol, particularly when high levels of ethanol are concurrently detected.

  12. Interaction of silico-12-molybdic acid with acetone

    International Nuclear Information System (INIS)

    Chuvaev, V.F.; Pinchuk, I.N.; Gubin, V.V.

    1984-01-01

    Methods of thermal analysis, mass-spectrometry, IR, PMR, ESR spectroscopy are used to investigate interaction processes of silico-12-molybdic acid H 4 SiMo 12 O 40 with acetone. Reactions in solution and with participation of solid heteropolyacid are studied. Organic products of catalytic and oxidation-reduction reactions are identified. The effect of conditions on the formation of different condensation and oxidation products and the sequence of appropriate reactions is discussed. Transformations of silico-12-molybolic acid are considered

  13. Methanogenic degradation of acetone by an enrichment culture

    OpenAIRE

    Platen, Harald; Schink, Bernhard

    1987-01-01

    An anaerobic enrichment culture degraded 1 mol of acetone to 2 tool of methane and 1 tool of carbon dioxide. Two microorganisms were involved in this process, a filament-forming rod similar to Methanothrix sp. and an unknown rod with round to slightly pointed ends. Both organisms formed aggregates up to 300 gm in diameter. No fluorescing bacteria were observed indicating that hydrogen or formate-utilizing methanogens are not involved in this process. Acetate was utilized in this culture by th...

  14. Cross-Selectivity Enhancement of Poly(vinylidene fluoride-hexafluoropropylene-Based Sensor Arrays for Detecting Acetone and Ethanol

    Directory of Open Access Journals (Sweden)

    Ali Daneshkhah

    2017-03-01

    Full Text Available Two methods for cross-selectivity enhancement of porous poly(vinylidene fluoride-hexafluoropropylene (PVDF-HFP/carbon black (CB composite-based resistive sensors are provided. The sensors are tested with acetone and ethanol in the presence of humid air. Cross-selectivity is enhanced using two different methods to modify the basic response of the PVDF-HFP/CB sensing platform. In method I, the adsorption properties of PVDF-HFP/CB are altered by adding a polyethylene oxide (PEO layer or by treating with infrared (IR. In method II, the effects of the interaction of acetone and ethanol are enhanced by adding diethylene carbonate (DEC or PEO dispersed in DEC (PEO/DEC to the film. The results suggest the approaches used in method I alter the composite ability to adsorb acetone and ethanol, while in method II, they alter the transduction characteristics of the composite. Using these approaches, sensor relative response to acetone was increased by 89% compared with the PVDF-HFP/CB untreated film, whereas sensor relative response to ethanol could be decreased by 57% or increased by 197%. Not only do these results demonstrate facile methods for increasing sensitivity of PVDF-HFP/CB film, used in parallel they demonstrate a roadmap for enhancing system cross-selectivity that can be applied to separate units on an array. Fabrication methods, experimental procedures and results are presented and discussed.

  15. Acetone in theGlobal Troposphere: Its Possible Role as a Global Source of PAN

    Science.gov (United States)

    Singh, H. B.; Kanakidou, M.

    1994-01-01

    Oxygenated hydrocarbons are thought to be important components of the atmosphere but, with the exception of formaldehyde, very little about their distribution and fate is known. Aircraft measurements of acetone (CH3COCH3), PAN (CH3CO3NO2) and other organic species (e. g. acetaldehyde, methanol and ethanol) have been performed over the Pacific, the southern Atlantic, and the subarctic atmospheres. Sampled areas extended from 0 to 12 km altitude over latitudes of 70 deg N to 40 deg S. All measurements are based on real time in-situ analysis of cryogenically preconcentrated air samples. Substantial concentrations of these oxygenated species (10-2000 ppt) have been observed at all altitudes and geographical locations in the troposphere. Important sources include, emissions from biomass burning, plant and vegetation, secondary oxidation of primary non-methane hydrocarbons, and man-made emissions. Direct measurements within smoke plumes have been used to estimate the biomass burning source. Photochemistry studies are used to suggest that acetone could provide a major source of peroxyacetyl radicals in the atmosphere and play an important role in sequestering reactive nitrogen. Model calculations show that acetone photolysis contributes significantly to PAN formation in the middle and upper troposphere.

  16. Studies on the in vitro time kill assessment of crude acetone and ...

    African Journals Online (AJOL)

    STORAGESEVER

    2008-10-20

    Oct 20, 2008 ... infection even after treating such wounds with H. pedunculatum leaf. Perhaps .... acetone extract was evaporated to dryness under reduced pressure at 40oC ... ml of Mueller Hinton broth and recovery medium containing 3%.

  17. Comparison of formol-acetone concentration method with that of the ...

    African Journals Online (AJOL)

    Bernt Lindtjorn

    which consists of ether as a fat solvent for detecting out parasites from intestinal debris and thus increases the positivity rates, is believed to be superior over the other ... and petrol can be a better substitute (5, 6, 7). However, among these solvents, acetone has been rated as “safe” in comparison to the ether effect on health ...

  18. Evaluation of the Acetone and Aqueous Extracts of Mature Stem Bark of Sclerocarya birrea for Antioxidant and Antimicrobial Properties

    Directory of Open Access Journals (Sweden)

    Nicoline F. Tanih

    2012-01-01

    Full Text Available We assayed the antimicrobial activity of acetone and aqueous extracts of the stem bark of Sclerocarya birrea on some selected bacteria and fungi species including; Streptococcus pyogenes, Plesiomonas shigelloides, Aeromonas hydrophila, Salmonella typhimurium, Cryptococcus neoformans, Candida glabrata, Trichosporon mucoides, and Candida krusei using both agar well diffusion and minimum inhibitory concentration (MIC assays. Based on the levels of activity, the acetone extract was examined for total polyphenolic content, radical scavenging and antioxidant activities. Total phenols of the extract were determined spectrophotometrically. The antioxidant activity was determined by the DPPH, ABTS and reducing power. All the bacteria and fungi species were susceptible to the plant extracts. The acetone extract was the most active for the bacterial species with MIC (0.156–0.625 mg/mL while the aqueous extract was the most active for the fungi species with MIC (0.3125–1.25 mg/mL. The polyphenolic compounds were found as 27.2 mg/g tannic acid equivalent, 25.2 mg/g quercetin equivalent, 9.1 mg/g quercetin equivalent for phenols, flavonoid and flavonols respectively. The acetone extract exhibited a remarkable ability to scavenge radicals, strong reducing ability and a potential source of natural antioxidants. Both the acetone and aqueous extracts of S. birrea may provide a target for drug discovery.

  19. Biological activities of Umbilicaria crustulosa (Ach.) frey acetone extract

    OpenAIRE

    Zlatanović Ivana; Stanković Miroslava; Stankov-Jovanović Vesna; Mitić Violeta; Zrnzević Ivana; Đorđević Aleksandra; Stojanović Gordana

    2017-01-01

    This paper reports for the first time the effect of an acetone extract of Umbilicaria crustulosa on the micronucleus distribution of human lymphocytes, and on the cholinesterase activity and antioxidant activity by the cupric ion reducing antioxidant capacity (CUPRAC) method. Additionally, the total phenolic compounds (TPC) and the antioxidant properties were estimated via DPPH, ABTS and TRP assays. Moreover, the antibacterial activity against two Gram-positive and three Gram-negative bacteri...

  20. The Effect of Acetone Amount Ratio as Co-Solvent to Methanol in Transesterification Reaction of Waste Cooking Oil

    Science.gov (United States)

    Julianto, T. S.; Nurlestari, R.

    2018-04-01

    The production of biodiesel from waste cooking oil by transesterification reaction using acetone as co-solvent has been carried out. This research studied the optimal amount ratio of acetone as co-solvent to methanol in the transesterification process using homogeneous alkaline catalyst KOH 1% (w/w) of waste cooking oil at room temperature for 15 minutes of reaction time. Mole ratio of waste cooking oil to methanol is 1:12. Acetone was added as co-solvent in varied amount ratio to methanol are 1:4, 1:2, and 1:1, respectively. The results of fatty acid methyl esters (FAME) were analysed using GC-MS instrument. The results showed that the optimal ratio is 1:4 with 99.93% of FAME yield.

  1. Structural effect of ferrocenecarboxymethylated polymers on their electrical behavior under the exposure to methanol and acetone vapors

    International Nuclear Information System (INIS)

    Hachawee, Kosin; Lerdwijitjarud, Wanchai; Sittattrakul, Amnard; Sirivat, Anuvat

    2008-01-01

    Functionalized ferrocenecarboxymethylated polymers, i.e. poly(vinylbenzyl ferrocenecarboxymethylate) (PVBFCC), poly(vinylbenzyl ferrocenecarboxymethylate-co-ethoxyethylmethacrylate) with the mole ratio between vinylbenzyl ferrocenecarboxymethylate and ethoxyethylmethacrylate of 75:25 (Co-PVBFCC 75/25) and 50:50 (Co-PVBFCC 50/50), and ferrocenecarboxymethylated polysulfone (BPSFCC) were investigated for their electrical behavior under the vapors of methanol and acetone and nitrogen gas. Electrical conductivity responses of the four ferrocenecarboxymethylated polymers in the presence of lithium perchlorate were measured when they were exposed to nitrogen gas, and methanol and acetone vapors. Main factors that affect the electrical conductivity and sensitivity of these electroactive ferrocene polymers originate from the polymer structure and the type of the passing gas or vapor. Ferrocenecarboxymethylated polymers with higher degrees of substitution of ferrocene units possess good electrical conductivity under the atmosphere of mixed N 2 /methanol vapor, while ferrocenecarboxymethylated polymers with more flexible chain and/or larger free volumes give higher electrical conductivity under the atmosphere of mixed N 2 /acetone vapor. The gas or vapor molecule with higher polarity and smaller size enhances the electrical conductivity of the ferrocene polymers. Our results clearly indicate that the synthesized ferrocenecarboxymethylated polymers have potential to be used as methanol or acetone sensor materials

  2. Effect of Gold Dispersion on the Photocatalytic Activity of Mesoporous Titania for the Vapor-Phase Oxidation of Acetone

    Directory of Open Access Journals (Sweden)

    S. V. Awate

    2008-01-01

    Full Text Available Mesostructured titanium dioxide photocatalyst, having uniform crystallite size (6–12 nm and average pore diameter of ∼4.2 nm, was synthesized by using a low-temperature nonsurfactant hydrothermal route, employing tartaric acid as a templating agent. Gold additions from 0.5 to 2 wt% were incorporated, either during the hydrothermal process or by postsynthesis wet impregnation. Compared to the impregnation-prepared samples, the samples synthesized hydrothermally contained smaller-size (≤1 nm gold clusters occluded in the pores of the host matrix. Whereas CO2 and H2O were the main reaction products in UV-assisted vapor-phase oxidation of acetone using these catalysts, C2H6 and HCO2CH3 were also produced for higher acetone concentrations in air. The conversion of acetone was found to increase with decrease in the size of both TiO2 and gold particles. In situ IR spectroscopy revealed that titania and gold particles serve as independent adsorption and reaction sites for acetone and oxygen molecules. Acetone molecules adsorb exclusively at TiO2 surface, giving rise to a strongly adsorbed (condensed state as well as to the formation of formate- and methyl formate-type surface species. Hydroxyl groups at titania surface participate directly in these adsorption steps. Nanosize gold particles, on the other hand, were primarily responsible for the adsorption and activation of oxygen molecules. Mechanistic aspects of the photochemical processes are discussed on the basis of these observations.

  3. Comparison of voiding function and nociceptive behavior in two rat models of cystitis induced by cyclophosphamide or acetone

    Science.gov (United States)

    Saitoh, Chikashi; Yokoyama, Hitoshi; Chancellor, Michael B.; de Groat, William C.; Yoshimura, Naoki

    2009-01-01

    Aims Nociceptive behavior and its relationship with bladder dysfunction were investigated in two cystitis models, which were induced by intraperitoneal (ip) injection of cyclophosphamide (CYP) or intravesical instillation of acetone, using freely moving, non-catheterized conscious rats. Methods Female Sprague-Dawley rats were used. Cystitis was induced by ip injection of CYP (100 and 200mg/kg) or intravesical instillation of acetone (10, 30 and 50%) via a polyethylene catheter temporarily inserted into the bladder through the urethra. Then the incidence of nociceptive behavior (immobility with decreased breathing rates) was scored. Voided urine was collected simultaneously and continuously to measure bladder capacity. The plasma extravasation in the bladder was quantified by an evans blue (EB) dye leakage technique. Results CYP (100mg/kg, ip) induced nociceptive behavior without affecting bladder capacity or EB concentration in the bladder. A higher dose of CYP (200mg/kg, ip) decreased bladder capacity and increased EB levels as well as nociceptive behavior. In contrast, intravesical instillation of acetone (30%) decreased bladder capacity and increased EB levels, but evoked nociceptive behavior less frequently compared with CYP-treated animals. In capsaicin pretreated rats, nociceptive behavior induced by CYP or acetone was reduced; however, the overall effects of CYP or acetone on bladder capacity and bladder EB levels were unaffected. Conclusions These results suggest that there is a difference in the induction process of nociceptive behavior and small bladder capacity after two different types of bladder irritation and that C-fiber sensitization is more directly involved in pain sensation than reduced bladder capacity. PMID:19618450

  4. Comparative studies of citric acid, acetone-butanol, and alcohol fermentation processes in beet molasses from several sugar factories

    Energy Technology Data Exchange (ETDEWEB)

    Kovats, J; Zuckerind, Z

    1963-01-01

    Citric acid (I) fermentation is the most sensitive to volatile acids and coloring matter contents of molasses, and butanol fermentation, the least. Citric acid and alcohol production decrease as volatile acids and coloring matter increase, but this last factor has a favorable effect on the acetone-butanol fermentation. Molasses which are suitable for citric acid production are also suitable for alcohol but not always for acetone-butanol.

  5. The human gastric pathogen Helicobacter pylori has a potential acetone carboxylase that enhances its ability to colonize mice

    Directory of Open Access Journals (Sweden)

    Weinberg Michael V

    2008-01-01

    Full Text Available Abstract Background Helicobacter pylori colonizes the human stomach and is the etiological agent of peptic ulcer disease. All three H. pylori strains that have been sequenced to date contain a potential operon whose products share homology with the subunits of acetone carboxylase (encoded by acxABC from Xanthobacter autotrophicus strain Py2 and Rhodobacter capsulatus strain B10. Acetone carboxylase catalyzes the conversion of acetone to acetoacetate. Genes upstream of the putative acxABC operon encode enzymes that convert acetoacetate to acetoacetyl-CoA, which is metabolized further to generate two molecules of acetyl-CoA. Results To determine if the H. pylori acxABC operon has a role in host colonization the acxB homolog in the mouse-adapted H. pylori SS1 strain was inactivated with a chloramphenicol-resistance (cat cassette. In mouse colonization studies the numbers of H. pylori recovered from mice inoculated with the acxB:cat mutant were generally one to two orders of magnitude lower than those recovered from mice inoculated with the parental strain. A statistical analysis of the data using a Wilcoxin Rank test indicated the differences in the numbers of H. pylori isolated from mice inoculated with the two strains were significant at the 99% confidence level. Levels of acetone associated with gastric tissue removed from uninfected mice were measured and found to range from 10–110 μmols per gram wet weight tissue. Conclusion The colonization defect of the acxB:cat mutant suggests a role for the acxABC operon in survival of the bacterium in the stomach. Products of the H. pylori acxABC operon may function primarily in acetone utilization or may catalyze a related reaction that is important for survival or growth in the host. H. pylori encounters significant levels of acetone in the stomach which it could use as a potential electron donor for microaerobic respiration.

  6. Cathodic reduction of benzil in acetone and in dichloromethane

    Energy Technology Data Exchange (ETDEWEB)

    Quintanilla, Gloria [Departamento de Quimica Organica, Universidad de Alcala, 28871 Alcala de Henares, Madrid (Spain)], E-mail: gloria.quintanilla@uah.es; Liebeck, Miriam; Bengtsson, Carina; Arnold, Lena; Barba, Fructuoso [Departamento de Quimica Organica, Universidad de Alcala, 28871 Alcala de Henares, Madrid (Spain)

    2008-02-15

    The cathodic reduction of benzil has been carried out at a controlled potential on a mercury cathode in two different SSE (solvent-supporting-electrolyte) conditions: (a) acetone/lithium perchlorate in absence of electrophile where 2,3-diphenyl-5-methyl-furan and 1,2-diphenyl-2-hydroxy-1,4-pentanedione were obtained as main products and (b) dichloromethane/tetrabuthylammonium chloride with the addition of oxalyl chloride as electrophile, where a fast electron transfer took place.

  7. Antioxidant effect of water and acetone extracts of Fucus vesiculosuson oxidative stability of skin care emulsions

    DEFF Research Database (Denmark)

    Poyato, Candelaria; Thomsen, Birgitte Raagaard; Hermund, Ditte Baun

    2017-01-01

    A water and an acetone extract of the Icelandic brown algae Fucus vesiculosus were evaluated as potential natural sources of antioxidant compounds in skin care emulsions. To assess their efficacy in inhibiting lipid oxidation caused by photo- or thermoxidation, they were stored in darkness and room...... temperature. High temperature also caused greater increments in the droplet size of the emulsions. The analysis of the tocopherol content, peroxide value and volatile compounds during the storage revealed that, whereas both water and acetone extracts showed (at 2 mg/g of emulsion) protective effect against...

  8. Electron thermal capacity in plasma generated at cavitation bubble collapse in D-acetone

    International Nuclear Information System (INIS)

    Kostenko, B.F.; Pribis, J.

    2004-01-01

    The latest experimental data on nuclear reaction product registration at cavitation bubble collapse in deuterated acetone (C 3 D 6 O) still argue in favour of existence of a new possibility to realize the thermonuclear synthesis. Theoretical description based on numerical solution of simultaneous conservation equations for gaseous and liquid phases also confirms this possibility, although it requires further more precise definitions. In particular, description of electron degrees of freedom in dense nonequilibrium plasma generated at the final stage of bubble collapse need specification. Calculations of electron thermal capacity in the deuterated acetone multiple ionization region at electron temperatures T e ≅ 10 4 K and above and compression range ρ/ρ 0 ≅ 1 - 100 have been fulfilled on the basis of direct numerical solution of equation for chemical potential. (author)

  9. Biodegradation of isopropanol and acetone under denitrifying conditions by Thauera sp. TK001 for nitrate-mediated microbially enhanced oil recovery.

    Science.gov (United States)

    Fida, Tekle Tafese; Gassara, Fatma; Voordouw, Gerrit

    2017-07-15

    Amendment of reservoir fluid with injected substrates can enhance the growth and activity of microbes. The present study used isopropyl alcohol (IPA) or acetone to enhance the indigenous anaerobic nitrate-reducing bacterium Thauera sp. TK001. The strain was able to grow on IPA or acetone and nitrate. To monitor effects of strain TK001 on oil recovery, sand-packed columns containing heavy oil were flooded with minimal medium at atmospheric or high (400psi) pressure. Bioreactors were then inoculated with 0.5 pore volume (PV) of minimal medium containing Thauera sp. TK001 with 25mM of acetone or 22.2mM of IPA with or without 80mM nitrate. Incubation without flow for two weeks and subsequent injection with minimal medium gave an additional 17.0±6.7% of residual oil in place (ROIP) from low-pressure bioreactors and an additional 18.3% of ROIP from the high-pressure bioreactors. These results indicate that acetone or IPA, which are commonly used organic solvents, are good substrates for nitrate-mediated microbial enhanced oil recovery (MEOR), comparable to glucose, acetate or molasses, tested previously. This technology may be used for coupling biodegradation of IPA and/or acetone in waste streams to MEOR where these waste streams are generated in close proximity to an oil field. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Synergistic effects of sodium 
ascorbate and acetone to restore compromised bond strength 
after enamel bleaching.

    Science.gov (United States)

    Boruziniat, Alireza; Manafi, Safa; Cehreli, Zafer C

    To evaluate the effect of a new experimental solution containing sodium ascorbate (SA) and acetone on reversing compromised bonding to enamel immediately after bleaching. The buccal surface of intact, extracted human premolars (n = 60) was bleached. The teeth were then randomly assigned to 6  groups according to the type of pretreatment applied prior to adhesive procedures: 10% SA in acetone-water solution applied for 1 and 5 min (groups 1 and 2, respectively); aqueous solution of 10% SA applied for 10 min (group 3); 100% acetone applied for 10 min (group 4); no pretreatment (negative control; group 5). An additional group (positive control; group 6) comprised unbleached teeth (n = 12). Two composite microcylinders were bonded on each specimen for evaluation of microshear bond strength (MBS) and failure modes. Data were analyzed using the one-way ANOVA and Tukey's post-hoc and chi-square tests at P = 0.05. Groups 1 and 2 yielded similar MBS values to groups 4 and 6 (positive control). The mean MBS of groups 3 and 5 (negative control) were similar, and significantly lower than that of the positive control group. The application of 10% SA in an acetone-water solution prior to bonding procedures can restore compromised enamel bond strength to its unbleached state within a clinically acceptable time of 1 min.

  11. Peculiar behavior of MWW materials in aldol condensation of furfural and acetone

    Czech Academy of Sciences Publication Activity Database

    Kikhtyanin, O.; Eliášová, Pavla; Jindrová, T.; Kubička, D.

    2014-01-01

    Roč. 43, č. 27 (2014), s. 10628-10641 ISSN 1477-9226 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : acetone * aldehydes * batch reactors Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.197, year: 2014

  12. Treatment of acetone waste gases using slurry-phase airlift embedded with polyacrylamide-entrapped cell beads.

    Science.gov (United States)

    Hwang, Sz-Chwun John; Lin, Yun-Huin; Huang, Ku Shu; Lyuu, Jyuhn-Yih; Hou, Cheng-Ting; Chen, Hsin-Hua; He, Sin-Yi

    2009-10-01

    Acetone is the most common chemical used in the Hsin-chu Science Park in Taiwan. The three-phase airlift bioreactor was designed to absorb acetone into the 39 L of medium solution and then degraded by 2-L polyacrylamide (PAA)-entrapped Thiosphaera pantotropha cell beads. The airlift medium was successfully regenerated and circulated for more than 5 months. The elimination capacity of 350-part per million (ppm) acetone at 10 L x min(-1) was 258.4 g x m(-3) hr(-1) (160.4 g-C x m(-3) hr(-1)) with 100% removal efficiency in Stage II, higher than previously reported biofiltration results. The maximum chemical oxygen demand:nitrogen ratio of 100:2.9 is achieved, and a balanced nutrient state was indicated by the change in redox potential. The pH of the system was maintained at neutral because of the strong buffer agent added to the medium (final buffer intensity, beta = 1.18 x 10(-2) M). The PAA-entrapped cell beads could also provide a good barrier for high salinity gradient environment and the inoculum source to maintain steady operation of the system.

  13. The combustion chemistry of a fuel tracer: Measured flame speeds and ignition delays and a detailed chemical kinetic model for the oxidation of acetone

    Energy Technology Data Exchange (ETDEWEB)

    Pichon, S.; Black, G.; Simmie, J.M.; Curran, H.J. [Combustion Chemistry Centre, National University of Ireland, Galway (Ireland); Chaumeix, N.; Yahyaoui, M. [Institut de Combustion Aerothermique Reactivite et Environnement, CNRS, Orleans (France); Donohue, R. [Information Technology, National University of Ireland, Galway (Ireland)

    2009-02-15

    Acetone ignition delay and stretch-free laminar flame speed measurements have been carried out and a kinetic model has been developed to simulate these and literature data for acetone and for ketene, which was found to be an important intermediate in its oxidation. The mechanism has been based on one originally devised for dimethyl ether and modified through validation of the hydrogen, carbon monoxide and methane sub-mechanisms. Acetone oxidation in argon was studied behind reflected shock waves in the temperature range 1340-1930 K, at 1 atm and at equivalence ratios of 0.5, 1 and 2; it is also shown that the addition of up to 15% acetone to a stoichiometric n-heptane mixture has no effect on the measured ignition delay times. Flame speeds at 298 K and 1 atm of pure acetone in air were measured in a spherical bomb; a maximum flame speed of {proportional_to}35 cm s{sup -1} at {phi}=1.15 is indicated. (author)

  14. Recent advances on conversion and co-production of acetone-butanol-ethanol into high value-added bioproducts.

    Science.gov (United States)

    Xin, Fengxue; Dong, Weiliang; Jiang, Yujia; Ma, Jiangfeng; Zhang, Wenming; Wu, Hao; Zhang, Min; Jiang, Min

    2018-06-01

    Butanol is an important bulk chemical and has been regarded as an advanced biofuel. Large-scale production of butanol has been applied for more than 100 years, but its production through acetone-butanol-ethanol (ABE) fermentation process by solventogenic Clostridium species is still not economically viable due to the low butanol titer and yield caused by the toxicity of butanol and a by-product, such as acetone. Renewed interest in biobutanol as a biofuel has spurred technological advances to strain modification and fermentation process design. Especially, with the development of interdisciplinary processes, the sole product or even the mixture of ABE produced through ABE fermentation process can be further used as platform chemicals for high value added product production through enzymatic or chemical catalysis. This review aims to comprehensively summarize the most recent advances on the conversion of acetone, butanol and ABE mixture into various products, such as isopropanol, butyl-butyrate and higher-molecular mass alkanes. Additionally, co-production of other value added products with ABE was also discussed.

  15. Dissociative electron attachment studies on acetone

    International Nuclear Information System (INIS)

    Prabhudesai, Vaibhav S.; Tadsare, Vishvesh; Ghosh, Sanat; Gope, Krishnendu; Davis, Daly; Krishnakumar, E.

    2014-01-01

    Dissociative electron attachment (DEA) to acetone is studied in terms of the absolute cross section for various fragment channels in the electron energy range of 0–20 eV. H − is found to be the most dominant fragment followed by O − and OH − with only one resonance peak between 8 and 9 eV. The DEA dynamics is studied by measuring the angular distribution and kinetic energy distribution of fragment anions using Velocity Slice Imaging technique. The kinetic energy and angular distribution of H − and O − fragments suggest a many body break-up for the lone resonance observed. The ab initio calculations show that electron is captured in the multi-centered anti-bonding molecular orbital which would lead to a many body break-up of the resonance

  16. Solubility and Standard Gibb's energies of transfer of alkali metal perchlorates, tetramethyl- and tetraethylammonium from water to aqua-acetone solvents

    International Nuclear Information System (INIS)

    Kireev, A.A.; Pak, T.G.; Bezuglyj, V.D.

    1996-01-01

    Solubilities of KClO 4 , RbClO 4 , CsClO 4 , (CH 3 ) 4 NClO 4 , (C 2 M 5 ) 4 NClO 4 in water and water-acetone mixtures are determined by the method of isothermal saturation at 298.15 K. Dissociation constants of alkali metal perchlorates are found by conductometric method. Solubility products and standard Gibbs energies of transfer of corresponding electrolytes from water into water-acetone solvents are calculated. The character of transfer Gibbs energy dependence on solvent composition is explained by preferred solvation of cations by acetone molecules and anions-by water molecules. Features of tetraalkyl ammonium ions are explained by large changes in energy of cavity formation for these ions

  17. Cloning, functional expression and characterization of a bifunctional 3-hydroxybutanal dehydrogenase /reductase involved in acetone metabolism by Desulfococcus biacutus.

    Science.gov (United States)

    Frey, Jasmin; Rusche, Hendrik; Schink, Bernhard; Schleheck, David

    2016-11-25

    The strictly anaerobic, sulfate-reducing bacterium Desulfococcus biacutus can utilize acetone as sole carbon and energy source for growth. Whereas in aerobic and nitrate-reducing bacteria acetone is activated by carboxylation with CO 2 to acetoacetate, D. biacutus involves CO as a cosubstrate for acetone activation through a different, so far unknown pathway. Proteomic studies indicated that, among others, a predicted medium-chain dehydrogenase/reductase (MDR) superfamily, zinc-dependent alcohol dehydrogenase (locus tag DebiaDRAFT_04514) is specifically and highly produced during growth with acetone. The MDR gene DebiaDRAFT_04514 was cloned and overexpressed in E. coli. The purified recombinant protein required zinc as cofactor, and accepted NADH/NAD + but not NADPH/NADP + as electron donor/acceptor. The pH optimum was at pH 8, and the temperature optimum at 45 °C. Highest specific activities were observed for reduction of C 3 - C 5 -aldehydes with NADH, such as propanal to propanol (380 ± 15 mU mg -1 protein), butanal to butanol (300 ± 24 mU mg -1 ), and 3-hydroxybutanal to 1,3-butanediol (248 ± 60 mU mg -1 ), however, the enzyme also oxidized 3-hydroxybutanal with NAD + to acetoacetaldehyde (83 ± 18 mU mg -1 ). The enzyme might play a key role in acetone degradation by D. biacutus, for example as a bifunctional 3-hydroxybutanal dehydrogenase/reductase. Its recombinant production may represent an important step in the elucidation of the complete degradation pathway.

  18. Achieving concentrated graphene dispersions in water/acetone mixtures by the strategy of tailoring Hansen solubility parameters

    International Nuclear Information System (INIS)

    Yi Min; Shen Zhigang; Zhang Xiaojing; Ma Shulin

    2013-01-01

    Although exfoliating graphite to give graphene paves a new way for graphene preparation, a general strategy of low-boiling-point solvents and high graphene concentration is still highly required. In this study, using the strategy of tailoring Hansen solubility parameters (HSP), a method based on exfoliation of graphite in water/acetone mixtures is demonstrated to achieve concentrated graphene dispersions. It is found that in the scope of blending two mediocre solvents, tailoring the HSP of water/acetone mixtures to approach the HSP of graphene could yield graphene dispersions at a high concentration of up to 0.21 mg ml -1 . The experimentally determined optimum composition of the mixtures occurs at an acetone mass fraction of ∼75%. The trend of concentration varying with mixture compositions could be well predicated by the model, which relates the concentration to the mixing enthalpy within the scope of HSP theory. The resultant dispersion is highly stabilized. Atomic force microscopic statistical analysis shows that up to ∼50% of the prepared nanosheets are less than 1 nm thick after 4 h sonication and 114g centrifugation. Analyses based on diverse characterizations indicate the graphene sheets to be largely free of basal plane defects and oxidation. The filtered films are also investigated in terms of their electrical and optical properties to show reasonable conductivity and transparency. The strategy of tailoring HSP, which can be easily extended to various solvent systems, and water/acetone mixtures here, extends the scope for large-scale production of graphene in low-boiling-point solutions.

  19. Investigation of hydrolysis products in the acetone-butanol fermentation of vegetable agricultural waste materials

    Energy Technology Data Exchange (ETDEWEB)

    Nakhmanovich, B M

    1960-01-01

    Determinations of the fundamental chemical composition of corn stalk, sunflower husk, and hemp scutch by chromatography were reported, e.g. pentoses (1.98, 1.98, 2.01%), hexoses (1.59, 1.72, 2.01% respectively.) and various amino acids (arginine, asparagine, histidine, glutamine, glycine, lysine, proline, serine, tyrosine, threonine, cysteine, cystine, alanine, and aspartic and glutamic acids). The sterilized products from the hydrolysis (pentoses, hexoses) in a combined mixture with a meal mash were normally fermented at 37/sup 0/ in the presence of acetone-butanol bacteria for 40 to 48 hours, yielding 10.46 to 12.50% of acetone, 15.09 to 18.0% of butanol, 3.79 to 6.08% of ethanol (a total yielding being 30 to 42% of solvents).

  20. Photofragment spectrum of acetone

    International Nuclear Information System (INIS)

    Hancock, Graham; Wilson, K.R.

    1974-01-01

    The photodissociation of acetone at 266.2 nm has been investigated by photofragment spectroscopy. A molecular beam of CH 3 COCH 3 is crossed by pulses of polarized uv light from a powerful fourth harmonic neodymium laser system, and the recoiling CH 3 and CH 3 CO photofragments detected with a quadrupole mass spectrometer. Both the flight time distributions and the masses of the fragments are measured, leading to a determination of the energy partitioning in the photodissociation process; it is found that the methyl and acetyl fragments together carry 43% of the available energy in translation, with the remaining 57% in fragment internal excitation. The angular distribution of fragments with respect to the polarization direction of the laser beam was found to be isotropic. The long lifetime of the initially produced singlet state should give a smoothing of the angular distribution, and this tendency towards isotropy could be further increased by a non-planar mode of dissociation of the excited molecule. Both statistical and impulsive dissociation models can fit the observed average energy partitioning, with present data enable to distinguish between the two possibilities, which, however, could be differentiated with further crossed molecular and laser beam experiments

  1. Electron Thermal Capacity in Plasma Generated at Cavitation Bubble Collapse in D-acetone

    CERN Document Server

    Kostenko, B F

    2004-01-01

    The latest experimental data on nuclear reaction product registration at cavitation bubble collapse in deuterated acetone (C$_3$D$_6$O) still argue in favour of existence of a new possibility to realize the thermonuclear synthesis. Theoretical description based on numerical solution of simultaneous conservation equations for gaseous and liquid phases also confirms this possibility, although it requires further more precise definitions. In particular, description of electron degrees of freedom in very dense nonequilibrium plasma generated at the final stage of bubble collapse needs specification. In the present paper, calculations of electron thermal capacity in the deuterated acetone multiple ionization region at electron temperatures $T_e \\simeq 10^4 $ K and above and compression range $\\rho/\\rho_0 \\simeq 1 \\div 100$ have been fulfilled on the basis of direct numerical solution of equation for chemical potential.

  2. Determination and modeling of binary and ternary solid-liquid phase equilibrium for the systems formed by 3,5-dinitrobenzoic acid, m-nitrobenzoic acid and acetone

    International Nuclear Information System (INIS)

    Li, Xinbao; Du, Cunbin; Zhao, Hongkun

    2017-01-01

    Highlights: • The solubility of 3,5-dinitrobenzoic acid in acetone was determined. • Solubility of m-nitrobenzoic acid + 3,5-dinitrobenzoic acid + acetone was determined. • Three ternary phase diagrams were constructed for the ternary system. • The ternary phase diagrams were calculated by Wilson model and NRTL model. - Abstract: The solubility of 3,5-dinitrobenzoic acid in acetone at the temperatures ranging from (283.15 to 318.15) K and the mutual solubility of the ternary m-nitrobenzoic acid + 3,5-dinitrobenzoic acid + acetone system at (283.15, 298.15 and 313.15) K were determined experimentally by using the isothermal saturation method under atmosphere pressure (101.2 kPa). Three isothermal ternary phase diagrams were constructed according to the measured mutual solubility data. In each ternary phase diagram, there was one co-saturated point, two boundary curves, and three crystalline regions. The modified Apelblat equation, λh equation, NRTL model and Wilson model were used to correlate the solubility of 3,5-dinitrobenzoic acid in acetone; and the NRTL and Wilson models, the mutual solubility for the ternary m-nitrobenzoic acid + 3,5-dinitrobenzoic acid + acetone system. The value of root-mean-square deviation (RMSD) was 8.53 × 10 −4 for the binary system of 3,5-dinitrobenzoic acid + acetone; and the largest value of RMSD was 81.08 × 10 −4 for the ternary system.

  3. Laminar burning velocities of acetone in air at room and elevated temperatures

    NARCIS (Netherlands)

    Nilsson, E.J.K.; Goey, de L.P.H.; Konnov, A.

    2013-01-01

    Laminar burning velocities of acetone + air mixtures at initial gas mixture temperatures of 298, 318, 338 and 358 K are reported. Non-stretched flames were stabilized on a perforated plate burner at 1 atm, and laminar burning velocities were determined using the heat flux method, at conditions where

  4. Preparation and Characterization of Epoxy Resin Cross-Linked with High Wood Pyrolysis Bio-Oil Substitution by Acetone Pretreatment

    Directory of Open Access Journals (Sweden)

    Yi Liu

    2017-03-01

    Full Text Available The use of cost effective solvents may be necessary to store wood pyrolysis bio-oil in order to stabilize and control its viscosity, but this part of the production system has not been explored. Conversely, any rise in viscosity during storage, that would occur without a solvent, will add variance to the production system and render it cost ineffective. The purpose of this study was to modify bio-oil with a common solvent and then react the bio-oil with an epoxy for bonding of wood without any loss in properties. The acetone pretreatment of the bio-oil/epoxy mixture was found to improve the cross-linking potential and substitution rate based on its mechanical, chemical, and thermal properties. Specifically, the bio-oil was blended with epoxy resin at weight ratios ranging from 2:1 to 1:5 and were then cured. A higher bio-oil substitution rate was found to lower the shear bond strength of the bio-oil/epoxy resins. However, when an acetone pretreatment was used, it was possible to replace the bio-oil by as much as 50% while satisfying usage requirements. Extraction of the bio-oil/epoxy mixture with four different solvents demonstrated an improvement in cross-linking after acetone pretreatment. ATR-FTIR analysis confirmed that the polymer achieved a higher cross-linked structure. DSC and TGA curves showed improved thermal stability with the addition of the acetone pretreatment. UV-Vis characterization showed that some functional groups of the bio-oil to epoxy system were unreacted. Finally, when the resin mixture was utilized to bond wood, the acetone pretreatment coupled with precise tuning of the bio-oil:epoxy ratio was an effective method to control cross-linking while ensuring acceptable bond strength.

  5. A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

    Energy Technology Data Exchange (ETDEWEB)

    Oba, Yuki; Kawatsu, Tsutomu; Tachikawa, Masanori, E-mail: tachi@yokohama-cu.ac.jp [Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027 (Japan)

    2016-08-14

    The on-the-fly ab initio density functional path integral molecular dynamics (PIMD) simulations, which can account for both the nuclear quantum effect and thermal effect, were carried out to evaluate the structures and “reduced” isotropic hyperfine coupling constants (HFCCs) for muoniated and hydrogenated acetone radicals (2-muoxy-2-propyl and 2-hydoxy-2-propyl) in vacuo. The reduced HFCC value from a simple geometry optimization calculation without both the nuclear quantum effect and thermal effect is −8.18 MHz, and that by standard ab initio molecular dynamics simulation with only the thermal effect and without the nuclear quantum effect is 0.33 MHz at 300 K, where these two methods cannot distinguish the difference between muoniated and hydrogenated acetone radicals. In contrast, the reduced HFCC value of the muoniated acetone radical by our PIMD simulation is 32.1 MHz, which is about 8 times larger than that for the hydrogenated radical of 3.97 MHz with the same level of calculation. We have found that the HFCC values are highly correlated with the local molecular structures; especially, the Mu—O bond length in the muoniated acetone radical is elongated due to the large nuclear quantum effect of the muon, which makes the expectation value of the HFCC larger. Although our PIMD result calculated in vacuo is about 4 times larger than the measured experimental value in aqueous solvent, the ratio of these HFCC values between muoniated and hydrogenated acetone radicals in vacuo is in reasonable agreement with the ratio of the experimental values in aqueous solvent (8.56 MHz and 0.9 MHz); the explicit presence of solvent molecules has a major effect on decreasing the reduced muon HFCC of in vacuo calculations for the quantitative reproduction.

  6. A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

    International Nuclear Information System (INIS)

    Oba, Yuki; Kawatsu, Tsutomu; Tachikawa, Masanori

    2016-01-01

    The on-the-fly ab initio density functional path integral molecular dynamics (PIMD) simulations, which can account for both the nuclear quantum effect and thermal effect, were carried out to evaluate the structures and “reduced” isotropic hyperfine coupling constants (HFCCs) for muoniated and hydrogenated acetone radicals (2-muoxy-2-propyl and 2-hydoxy-2-propyl) in vacuo. The reduced HFCC value from a simple geometry optimization calculation without both the nuclear quantum effect and thermal effect is −8.18 MHz, and that by standard ab initio molecular dynamics simulation with only the thermal effect and without the nuclear quantum effect is 0.33 MHz at 300 K, where these two methods cannot distinguish the difference between muoniated and hydrogenated acetone radicals. In contrast, the reduced HFCC value of the muoniated acetone radical by our PIMD simulation is 32.1 MHz, which is about 8 times larger than that for the hydrogenated radical of 3.97 MHz with the same level of calculation. We have found that the HFCC values are highly correlated with the local molecular structures; especially, the Mu—O bond length in the muoniated acetone radical is elongated due to the large nuclear quantum effect of the muon, which makes the expectation value of the HFCC larger. Although our PIMD result calculated in vacuo is about 4 times larger than the measured experimental value in aqueous solvent, the ratio of these HFCC values between muoniated and hydrogenated acetone radicals in vacuo is in reasonable agreement with the ratio of the experimental values in aqueous solvent (8.56 MHz and 0.9 MHz); the explicit presence of solvent molecules has a major effect on decreasing the reduced muon HFCC of in vacuo calculations for the quantitative reproduction.

  7. Relationships between changes in Holstein cow’s body condition, acetone and urea content in milk and cervical mucus and sperm survival

    Directory of Open Access Journals (Sweden)

    Jan Beran

    2012-01-01

    Full Text Available The objectives of this study were to evaluate the relationship between changes in Holstein cow’s body condition score (BCS, acetone and urea content in the milk and cervical mucus (CM and sperm survival in CM. At insemination, samples of milk and CM were collected from 64 Holstein cows. Content of acetone and urea were determined. Sperm motility was assessed subjectively at the beginning and after 30, 60 and 90 minutes of the short-term heat test in CM. Data about evaluation of cow’s BCS were taken from farm evidence. The data set was analyzed using SAS/STAT software. Effect of change in cow’s BCS one month before insemination was significant only in relation to the acetone content in milk (P < 0.05. Higher values of acetone and urea content were found in the CM compared to milk. Higher levels of both metabolites were detected in primiparous cows and in cows on the third and subsequent lactation, resp. in cows inseminated 3 times and more. The highest values of both metabolites negatively affected sperm survival during the short-term heat test, especially after 90 minutes (P < 0.05–0.01. Significant decreases (P < 0.05–0.01 were detected in cows with the highest level of acetone and urea.

  8. Electricity generation and removal performance of a microbial fuel cell using sulfonated poly (ether ether ketone) as proton exchange membrane to treat phenol/acetone wastewater.

    Science.gov (United States)

    Wu, Hao; Fu, Yu; Guo, Chunyu; Li, Yanbo; Jiang, Nanzhe; Yin, Chengri

    2018-07-01

    The microbial fuel cell (MFC) has emerged as a promising technology for wastewater treatment and energy recovery, but the expensive cost of proton exchange membranes (PEMs) is a problem that need to be solved. In this study, a two-chamber MFC based on our self-made PEM sulfonated poly (ether ether ketone) membrane was set up to treat phenol/acetone wastewater and synchronously generate power. The maximum output voltage was 240-250 mV. Using phenol and acetone as substrates, the power generation time in an operation cycle was 289 h. The MFC exhibited good removal performance, with no phenol or acetone detected, respectively, when the phenol concentration was lower than 50 mg/L and the acetone concentration was lower than 100 mg/L. This study provides a cheap and eco-friendly way to treat phenol/acetone wastewater and generate useful energy by MFC technology. Copyright © 2018 Elsevier Ltd. All rights reserved.

  9. Determination and modeling of the solubility of (limonin in methanol or acetone + water) binary solvent mixtures at T = 283.2 K to 318.2 K

    International Nuclear Information System (INIS)

    Fan, Jie-Ping; Zheng, Bing; Liao, Dan-Dan; Yu, Jia-Xin; Cao, Ya-Hui; Zhang, Xue-Hong; Zhu, Jian-Hang

    2016-01-01

    Highlights: • The solubilities of limonin were measured in the binary solvent mixtures methanol + water and acetone + water. • The solubility data were correlated by nine models. • The solubility of limonin had a maximum point at 0.9 mol fraction of acetone in acetone + water mixtures. - Abstract: The solubility of limonin in the binary solvent mixtures (methanol + water) and (acetone + water) with various initial mole fractions of methanol or acetone was measured by high-performance liquid chromatography (HPLC) at different temperatures ranging from 283.2 K to 318.2 K. The solubility of limonin increased with increasing initial mole fraction of methanol in (methanol + water) mixtures, whereas it had a maximum point at 0.9 mol fraction of acetone in (acetone + water) mixtures. The solubility of limonin increased with increasing temperature in the two binary solvent mixtures. The solubility of limonin was correlated with temperature by the van’t Hoff model and the modified Apelblat model, and the fitting results showed that the modified Apelblat model had better correlation. The CNIBS/Redlich–Kister model and the simplified CNIBS/Redlich–Kister model were used to correlate the solubility data with the initial solvent composition, the results show that the CNIBS/Redlich–Kister model reveals better agreement with the experimental values. Furthermore, to illustrate the effects of both temperature and initial solvent composition on the changes in the solubility of limonin, the solubility values were fitted by the Jouyban–Acree, van’t Hoff–Jouyban–Acree, modified Apelblat–Jouyban–Acree, Ma and Sun models. Among the five models, the Jouyban–Acree model give the best correlation results for (methanol + water) binary solvent mixtures, while the experimental solubility in the (acetone + water) system was most accurately correlated by the van’t Hoff–Jouyban–Acree model.

  10. High Resolution Multiphoton Ionization/Dissociation of Molecular Beam of Acetone from 582.60 to 585.80 nm

    Science.gov (United States)

    Mejia-Ospino, Enrique; Garcia, Gladis; Guerrero, Alfonso; Alvarez, Ignacio; Cisneros, Carmen

    2003-05-01

    Multiphoton ionization and dissociation of a jet supersonic of acetone at wavelength from 582.60 to 585.80 nm is studied using a Nd:YAG-OPO (optical parametric oscillator) system coupled to time-of-flight mass spectrometer. We present high-resolution (1.5 cm-1) three-photon resonance multiphoton spectra of the acetone 3s CH3CO+), (CH3+) and (COH+), being CH3COCH3+ ---> CH3CO+ + CH3 the more likely channel. The molecular and acetyl ions are observed practically in overall wavelength range.

  11. Effects of Bronsted acidity in the mechanism of selective oxidation of propane to acetone on CaY zeolite at room temperature.

    NARCIS (Netherlands)

    Xu, J.; Mojet, Barbara; van Ommen, J.G.; Lefferts, Leonardus

    2005-01-01

    The importance of Brønsted acid sites for partial oxidation of propane to acetone in CaY was investigated by in situ FTIR spectroscopy. With an increasing number of protons in Ca-Y, Volcano plots were observed for (1) amount of adsorbed propane; (2) initial acetone formation rate; (3) total amount

  12. Enhancement of Critical Current Density and Flux Pinning in Acetone and La2O3 Codoped MgB2 Tapes

    International Nuclear Information System (INIS)

    Gao Zhao-Shun; Ma Yan-Wei; Wang Dong-Liang; Zhang Xian-Ping; Awaji Satoshi; Watanabe Kazuo

    2010-01-01

    MgB 2 tape samples with simultaneous additions of acetone and La 2 O 3 were prepared by an in-situ processed powder-in-tube method. Compared to the pure and single doped tapes, both transport J c and fluxing pinning are greatly improved by acetone and La 2 O 3 codoping. Acetone supplies carbon into the MgB 2 crystal lattice and increases the upper critical field, while the La 2 O 3 reacts with B to form LaB 6 nanoparticles as effective flux pining centers. The improvement of the superconducting properties in codoped tapes can be attributed to the combined effects of improvement in H c2 and flux pinning. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  13. Origin of Enhanced Reactivity of a Microsolvated Nucleophile in Ion Pair SN2 Reactions: The Cases of Sodium p-Nitrophenoxide with Halomethanes in Acetone.

    Science.gov (United States)

    Li, Qiang-Gen; Xu, Ke; Ren, Yi

    2015-04-30

    In a kinetic experiment on the SN2 reaction of sodium p-nitrophenoxide with iodomethane in acetone-water mixed solvent, Humeres et al. (J. Org. Chem. 2001, 66, 1163) found that the reaction depends strongly on the medium, and the fastest rate constant was observed in pure acetone. The present work tries to explore why acetone can enhance the reactivity of the title reactions. Accordingly, we make a mechanistic study on the reactions of sodium p-nitrophenoxide with halomethanes (CH3X, X = Cl, Br, I) in acetone by using a supramolecular/continuum model at the PCM-MP2/6-311+G(d,p)//B3LYP/6-311+G(d,p) level, in which the ion pair nucleophile is microsolvated by one to three acetone molecules. We compared the reactivity of the microsolvated ion pair nucleophiles with solvent-free ion pair and anionic ones. Our results clearly reveal that the microsolvated ion pair nucleophile is favorable for the SN2 reactions; meanwhile, the origin of the enhanced reactivity induced by microsolvation of the nucleophile is discussed in terms of the geometries of transition state (TS) structures and activation strain model, suggesting that lower deformation energies and stronger interaction energies between the deformed reactants in the TS lead to the lower overall reaction barriers for the SN2 reaction of microsolvated sodium p-nitrophenoxide toward halomethanes in acetone.

  14. Dissociative electron attachment studies on acetone

    Energy Technology Data Exchange (ETDEWEB)

    Prabhudesai, Vaibhav S., E-mail: vaibhav@tifr.res.in; Tadsare, Vishvesh; Ghosh, Sanat; Gope, Krishnendu; Davis, Daly; Krishnakumar, E. [Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai 400005 (India)

    2014-10-28

    Dissociative electron attachment (DEA) to acetone is studied in terms of the absolute cross section for various fragment channels in the electron energy range of 0–20 eV. H{sup −} is found to be the most dominant fragment followed by O{sup −} and OH{sup −} with only one resonance peak between 8 and 9 eV. The DEA dynamics is studied by measuring the angular distribution and kinetic energy distribution of fragment anions using Velocity Slice Imaging technique. The kinetic energy and angular distribution of H{sup −} and O{sup −} fragments suggest a many body break-up for the lone resonance observed. The ab initio calculations show that electron is captured in the multi-centered anti-bonding molecular orbital which would lead to a many body break-up of the resonance.

  15. Multi-species time-history measurements during high-temperature acetone and 2-butanone pyrolysis

    KAUST Repository

    Lam, Kingyiu

    2013-01-01

    High-temperature acetone and 2-butanone pyrolysis studies were conducted behind reflected shock waves using five species time-history measurements (ketone, CO, CH3, CH4 and C2H4). Experimental conditions covered temperatures of 1100-1600 Kat 1.6 atm, for mixtures of 0.25-1.5% ketone in argon. During acetone pyrolysis, the CO concentration time-history was found to be strongly sensitive to the acetone dissociation rate constant κ1 (CH3COCH3 → CH3 + CH3CO), and this could be directly determined from the CO time-histories, yielding κ1(1.6 atm) = 2.46 × 1014 exp(-69.3 [kcal/mol]/RT) s-1 with an uncertainty of ±25%. This rate constant is in good agreement with previous shock tube studies from Sato and Hidaka (2000) [3] and Saxena et al. (2009) [4] (within 30%) at temperatures above 1450 K, but is at least three times faster than the evaluation from Sato and Hidaka at temperatures below 1250 K. Using this revised κ1 value with the recent mechanism of Pichon et al. (2009) [5], the simulated profiles during acetone pyrolysis show excellent agreement with all five species time-history measurements. Similarly, the overall 2-butanone decomposition rate constant κtot was inferred from measured 2-butanone time-histories, yielding κ tot(1.5 atm) = 6.08 × 1013 exp(-63.1 [kcal/mol]/RT) s -1 with an uncertainty of ±35%. This rate constant is approximately 30% faster than that proposed by Serinyel et al. (2010) [11] at 1119 K, and approximately 100% faster at 1412 K. Using the measured 2-butanone and CO time-histories and an O-atom balance analysis, a missing removal pathway for methyl ketene was identified. The rate constant for the decomposition of methyl ketene was assumed to be the same as the value for the ketene decomposition reaction. Using the revised κtot value and adding the methyl ketene decomposition reaction to the Serinyel et al. mechanism, the simulated profiles during 2-butanone pyrolysis show good agreement with the measurements for all five species.

  16. Coumarins as turn on/off fluorescent probes for detection of residual acetone in cosmetics following headspace single-drop microextraction.

    Science.gov (United States)

    Cabaleiro, N; de la Calle, I; Bendicho, C; Lavilla, I

    2014-11-01

    In this work, a new method based on headspace-single drop microextraction for the determination of residual acetone in cosmetics by microfluorospectrometry is proposed. Acetone causes fluorescence changes in a 2.5 µL-ethanolic drop (40% v/v) containing 3.10(-4) mol L(-1) 7-hydroxy-4-methylcoumarin ('turn off') or 6.10(-6) mol L(-1) 7-diethylamino-4-methylcoumarin ('turn on'). Polarity and ability to form hydrogen bonds of short chain alcohols (polar protic solvents) were crucial in order to observe these changes in the presence of acetone (polar aprotic solvent). Parameters related with the HS-SDME procedure were studied, namely headspace volume, composition, volume and temperature of drop, microextraction time, stirring rate, mass and temperature of sample, as well as the effect of potential interferents (alcohols and fragrances). The high volatility of acetone allows its extraction from an untreated cosmetic sample within 3 min. A detection limit of 0.26 µg g(-1) and repeatability, expressed as relative standard deviation, around 5% were reached. Accuracy of the proposed methodology was evaluated by means of recovery studies. The method was successfully used to analyze different cosmetics. Simplicity and high sample throughput can be highlighted. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Multi-species time-history measurements during high-temperature acetone and 2-butanone pyrolysis

    KAUST Repository

    Lam, Kingyiu; Ren, Wei; Pyun, Sunghyun; Farooq, Aamir; Davidson, David Frank; Hanson, Ronald Kenneth

    2013-01-01

    High-temperature acetone and 2-butanone pyrolysis studies were conducted behind reflected shock waves using five species time-history measurements (ketone, CO, CH3, CH4 and C2H4). Experimental conditions covered temperatures of 1100-1600 Kat 1.6 atm

  18. Effect of using acetone and distilled water on the performance of open loop pulsating heat pipe (OLPHP) with different filling ratios

    Science.gov (United States)

    Rahman, Md. Lutfor; Afrose, Tonima; Tahmina, Halima Khatun; Rinky, Rumana Parvin; Ali, Mohammad

    2016-07-01

    Pulsating heat pipe (PHP) is a new innovation in the modern era of miniaturizes thermal management system for its higher heating and cooling capacity. The objective of this experiment is to observe the performance of open loop pulsating heat pipe using two fluids at different filling ratios. This OLPHP is a copper capillary tube of 2.5mm outer diameter and 2mm inner diameter. It consists of 8 loops where the evaporative section is 50mm, adiabatic section is 120mm and condensation section is 80mm. The experiment is conducted with distilled water and acetone at 40%, 50%, 60%, and 70% filling ratios where 0° (vertical) is considered as definite angle of inclination. Distilled water and acetone are selected as working fluids considering their different latent heat of vaporization and surface tension. It is found that acetone shows lower thermal resistance than water at all heat inputs. Best performance of acetone is attained at 70% filling ratio. Water displays better heat transfer capability at 50% filling ratio.

  19. Technical and economic assessment of processes for the production of butanol and acetone

    Science.gov (United States)

    1982-01-01

    This report represents a preliminary technical and economic evaluation of a process which produces mixed solvents (butaol/acetone/ethanol) via fermentation of sugars derived from renewable biomass resources. The objective is to assess the technology of producing butanol/acetone from biomass, and select a viable process capable of serving as a base case model for technical and economic analysis. It is anticipated that the base case process developed herein can then be used as the basis for subsequent studies concerning biomass conversion processes capable of producing a wide range of chemicals. The general criteria utilized in determining the design basis for the process are profit potential and non-renewable energy displacement potential. The feedstock chosen, aspen wood, was selected from a number of potential renewable biomass resources as the most readily available in the United States and for its relatively large potential for producing reducing sugars.

  20. Uptake of acetone, ethanol and benzene to snow and ice: effects of surface area and temperature

    International Nuclear Information System (INIS)

    Abbatt, J P D; Bartels-Rausch, T; Ullerstam, M; Ye, T J

    2008-01-01

    The interactions of gas-phase acetone, ethanol and benzene with smooth ice films and artificial snow have been studied. In one technique, the snow is packed into a cylindrical column and inserted into a low-pressure flow reactor coupled to a chemical-ionization mass spectrometer for gas-phase analysis. At 214 and 228 K, it is found for acetone and ethanol that the adsorbed amounts per surface area match those for adsorption to thin films of ice formed by freezing liquid water, when the specific surface area of the snow (as determined from Kr adsorption at 77 K) and the geometric surface area of the ice films are used. This indicates that freezing thin films of water leads to surfaces that are smooth at the molecular level. Experiments performed to test the effect of film growth on ethanol uptake indicate that uptake is independent of ice growth rate, up to 2.4 μm min -1 . In addition, traditional Brunauer-Emmett-Teller (BET) experiments were performed with these gases on artificial snow from 238 to 266.5 K. A transition from a BET type I isotherm indicative of monolayer formation to a BET type II isotherm indicative of multilayer uptake is observed for acetone at T≥263 K and ethanol at T≥255 K, arising from solution formation on the ice. When multilayer formation does not occur, as was the case for benzene at T≤263 K and for acetone at T≤255 K, the saturated surface coverage increased with increasing temperature, consistent with the quasi-liquid layer affecting adsorption prior to full dissolution/multilayer formation.

  1. Acetone-water complexes at MRCI level using localized orbitals: n ->pi* and pi ->pi* electronic transitions

    DEFF Research Database (Denmark)

    Hoyau, S.; Ben Amor, N.; Borini, Stefano

    2008-01-01

    The n -> pi* and pi -> pi* vertical electronic transitions of acetone with two and four H2O which correspond to a first solvation shell are considered. By using localized orbitals, and thanks to the MRCI approach which permits to know the wave function, the role of the various solvent molecules...... is analysed in details. Distinguishing the solvent molecules allows one to consider them at different calculation levels. The methodology is to compare the spectra obtained with four H2O, with two H2O either in the acetone plane or in a perpendicular plane and when they are completely or partly frozen....

  2. Measurement of endogenous acetone and isoprene in exhaled breath during sleep

    International Nuclear Information System (INIS)

    King, Julian; Kupferthaler, Alexander; Unterkofler, Karl; Amann, Anton; Frauscher, Birgit; Hackner, Heinz; Högl, Birgit; Teschl, Gerald; Hinterhuber, Hartmann

    2012-01-01

    This explorative study aims at characterizing the breath behavior of two prototypic volatile organic compounds, acetone and isoprene, during normal human sleep and to possibly relate changes in the respective concentration time courses to the underlying sleep architecture. For this purpose, six normal healthy volunteers (two females, four males, age 20–29 years) were monitored over two consecutive nights (the first one being an adaption night) by combining real-time proton-transfer-reaction mass spectrometry measurements from end-tidal exhalation segments with laboratory-based polysomnographic data. Breath acetone concentrations increased overnight in all measurements, with an average relative change by a factor of up to 4 (median 2.5). Nighttime concentration maxima were usually recorded 2–3 h before lights on. For breath isoprene, a nocturnal increase in baseline concentrations of about 74% was observed, with individual changes ranging from 36–110%. Isoprene profiles exhibited pronounced concentration peaks, which were highly specific for leg movements as scored by tibial electromyography. Furthermore, relative to a linear trend, baseline isoprene concentrations decreased during the transition from the NREM to the REM phase of a complete sleep cycle. (paper)

  3. 1-Butyl-3-Methylimidazolium Tetrafluoroborate Film as a Highly Selective Sensing Material for Non-Invasive Detection of Acetone Using a Quartz Crystal Microbalance.

    Science.gov (United States)

    Tao, Wenyan; Lin, Peng; Liu, Sili; Xie, Qingji; Ke, Shanming; Zeng, Xierong

    2017-01-20

    Breath acetone serves as a biomarker for diabetes. This article reports 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF₄]), a type of room temperature ionic liquid (RTIL), as a selective sensing material for acetone. The RTIL sensing layer was coated on a quartz crystal microbalance (QCM) for detection. The sensing mechanism is based on a decrease in viscosity and density of the [bmim][BF₄] film due to the solubilization of acetone leading to a positive frequency shift in the QCM. Acetone was detected with a linear range from 7.05 to 750 ppmv. Sensitivity and limit of detection were found to be 3.49 Hz/ppmv and 5.0 ppmv, respectively. The [bmim][BF₄]-modified QCM sensor demonstrated anti-interference ability to commonly found volatile organic compounds in breath, e.g., isoprene, 1,2-pentadiene, d -limonene, and dl -limonene. This technology is useful for applications in non-invasive early diabetic diagnosis.

  4. Synthesis of Cu/TiO{sub 2}/organo-attapulgite fiber nanocomposite and its photocatalytic activity for degradation of acetone in air

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Gaoke, E-mail: gkzhang@whut.edu.cn; Wang, He; Guo, Sheng; Wang, Junting; Liu, Jin

    2016-01-30

    Graphical abstract: - Highlights: • A novel Cu/TiO{sub 2}/organo-attapulgite fiber nanocomposite was synthesized successfully. • Micro-mesopore nanocomposite structure was in favor of the degradation of acetone. • CTAB modification improved the adsorption capability of the catalyst. • The photocatalytic degradation mechanism of the acetone by the catalyst was studied. - Abstract: The Cu/TiO{sub 2}/organo-attapulgite fiber (CTOA) nanocomposite was synthesized by a facile method and was used for photocatalytic degradation of acetone in air under UV light irradiation. The as-prepared samples were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscope (SEM), transmission electron microscopy (TEM), UV–vis diffuse reflectance spectrum (UV–vis DRS), inductively coupled plasma (ICP) spectrometry and N{sub 2} adsorption–desorption measurement. The results showed that the structure of organo-attapulgite (OAT) had no obvious change as compared to unmodified attapulgite (AT) and the attapulgite fibers in the OAT were well-dispersed. Both micropores and mesopores exist in the CTOA catalyst. The CTOA catalysts prepared at the Cu/TiO{sub 2} molar ratio of 0.003 shows an excellent photocatalytic activity for the degradation of acetone in air. The synergistic effect of Cu species and cetyltrimethylammonium bromide modification can be responsible for the enhanced photocatalytic activity of the CTOA catalyst. The mechanism of the photocatalytic degradation of acetone by the CTOA catalyst was discussed.

  5. Butanol-acetone fermentation of sugar-cane juice

    Energy Technology Data Exchange (ETDEWEB)

    Perdomo, E V

    1958-01-01

    Sixteen new varieties of Clostridium acetobutylicum of varying activity were isolated from different sources. The most active one was obtained from sugar-cane roots. The effects of 86 additives were studied. The following formulation gave a 32% yield (with respect to sucrose) of solvent mixture (73% BuOH, 19 to 23% acetone, and 3 to 4% EtOH) sugar-cane juice (I) (20/sup 0/ Brix) 250 ml, ground Vicia sativa 1 g, KH/sub 2/PO/sub 4/ 2.5 g, CaCO/sub 3/ 4 g, H/sub 2/O 1000 ml; the pH of this solution was 5.6 to 6.0. Unclarified, it was inverted by invertase; the other components were added and the mixture was sterilized (20 minutes, 15 pounds).

  6. Study of continuous acetone-butanol fermentation by Clostridium acetobutylicum

    Energy Technology Data Exchange (ETDEWEB)

    Yarovenko, V L; Nakhmanovich, B M; Shcheblykin, N P; Senkevich, V V

    1960-01-01

    Prophylactic sterilization of small scale equipment (2 fermenters, 3.5 cu. m. each) permitted continuous fermentation through 6 cycles (28 days), each with a new inoculum of C. acetobutylicum. Single cycles could be prolonged to 6 to 11 days without sterilization. Contamination, usually with lactic acid bacteria, sometimes preceded exhaustion of the culture. Input of flour mash at 0.6 to 1.2 cu. m./hr. and withdrawal of products were continuous; acetone yield 6.6 to 7.1 g./l.; residual sugars 0.63 to 0.79%.

  7. 2D Sn-doped ZnO ultrathin nanosheet networks for enhanced acetone gas sensing application

    KAUST Repository

    Al-Hadeethi, Yas; Umar, Ahmad; Al-Heniti, Saleh. H.; Kumar, Rajesh; Kim, S.H.; Zhang, Xixiang; Raffah, Bahaaudin M.

    2016-01-01

    In this paper, we report the synthesis, characterizations and gas sensing application of 2D Sn-doped ZnO ultrathin nanosheet networks synthesized by a simple and facile hydrothermal process. The synthesized nanosheets were characterized using several techniques in terms of their morphological, structural, optical and compositional properties. The detailed characterizations confirmed that the nanosheets are pure, grown in high-density, possessing well-crystalline wurtzite hexagonal phase and exhibiting good optical properties. Further, the synthesized nanosheets were used as functional material to develop nanosensor device by coating it on the alumina substrate with suitable electrodes. The fabricated sensor device was tested towards acetone gas which exhibited a maximum sensitivity of 5.556 (Ra/Rg) for 200 ppm of acetone at 320 °C.

  8. 2D Sn-doped ZnO ultrathin nanosheet networks for enhanced acetone gas sensing application

    KAUST Repository

    Al-Hadeethi, Yas

    2016-11-10

    In this paper, we report the synthesis, characterizations and gas sensing application of 2D Sn-doped ZnO ultrathin nanosheet networks synthesized by a simple and facile hydrothermal process. The synthesized nanosheets were characterized using several techniques in terms of their morphological, structural, optical and compositional properties. The detailed characterizations confirmed that the nanosheets are pure, grown in high-density, possessing well-crystalline wurtzite hexagonal phase and exhibiting good optical properties. Further, the synthesized nanosheets were used as functional material to develop nanosensor device by coating it on the alumina substrate with suitable electrodes. The fabricated sensor device was tested towards acetone gas which exhibited a maximum sensitivity of 5.556 (Ra/Rg) for 200 ppm of acetone at 320 °C.

  9. An Optimized Trichloroacetic Acid/Acetone Precipitation Method for Two-Dimensional Gel Electrophoresis Analysis of Qinchuan Cattle Longissimus Dorsi Muscle Containing High Proportion of Marbling.

    Science.gov (United States)

    Hao, Ruijie; Adoligbe, Camus; Jiang, Bijie; Zhao, Xianlin; Gui, Linsheng; Qu, Kaixing; Wu, Sen; Zan, Linsen

    2015-01-01

    Longissimus dorsi muscle (LD) proteomics provides a novel opportunity to reveal the molecular mechanism behind intramuscular fat deposition. Unfortunately, the vast amounts of lipids and nucleic acids in this tissue hampered LD proteomics analysis. Trichloroacetic acid (TCA)/acetone precipitation is a widely used method to remove contaminants from protein samples. However, the high speed centrifugation employed in this method produces hard precipitates, which restrict contaminant elimination and protein re-dissolution. To address the problem, the centrifugation precipitates were first grinded with a glass tissue grinder and then washed with 90% acetone (TCA/acetone-G-W) in the present study. According to our result, the treatment for solid precipitate facilitated non-protein contaminant removal and protein re-dissolution, ultimately improving two-dimensional gel electrophoresis (2-DE) analysis. Additionally, we also evaluated the effect of sample drying on 2-DE profile as well as protein yield. It was found that 30 min air-drying did not result in significant protein loss, but reduced horizontal streaking and smearing on 2-DE gel compared to 10 min. In summary, we developed an optimized TCA/acetone precipitation method for protein extraction of LD, in which the modifications improved the effectiveness of TCA/acetone method.

  10. Ramalina capitata (Ach.) Nyl. acetone extract: HPLC analysis, genotoxicity, cholinesterase, antioxidant and antibacterial activity.

    Science.gov (United States)

    Zrnzevic, Ivana; Stankovic, Miroslava; Stankov Jovanovic, Vesna; Mitic, Violeta; Dordevic, Aleksandra; Zlatanovic, Ivana; Stojanovic, Gordana

    2017-01-01

    In the present investigation, effects of Ramalina capitata acetone extract on micronucleus distribution on human lymphocytes, on cholinesterase activity and antioxidant activity (by the CUPRAC method) were examined, for the first time as well as its HPLC profile. Additionally, total phenolic compounds (TPC), antioxidant properties (estimated via DPPH, ABTS and TRP assays) and antibacterial activity were determined. The predominant phenolic compounds in this extract were evernic, everninic and obtusatic acids. Acetone extract of R. capitata at concentration of 2 μg mL -1 decreased a frequency of micronuclei (MN) for 14.8 %. The extract reduces the concentration of DPPH and ABTS radicals for 21.2 and 36.1 % (respectively). Values for total reducing power (TRP) and cupric reducing capacity (CUPRAC) were 0.4624 ± 0.1064 μg ascorbic acid equivalents (AAE) per mg of dry extract, and 6.1176 ± 0.2964 μg Trolox equivalents (TE) per mg of dry extract, respectively. The total phenol content was 670.6376 ± 66.554 μg galic acid equivalents (GAE) per mg of dry extract. Tested extract at concentration of 2 mg mL -1 exhibited inhibition effect (5.2 %) on pooled human serum cholinesterase. The antimicrobial assay showed that acetone extract had inhibition effect towards Gram-positive strains. The results of manifested antioxidant activity, reducing the number of micronuclei in human lymphocytes, and antibacterial activity recommends R. capitata extract for further in vivo studies.

  11. Raman study of pressure effects on frequencies and isotropic line shapes in liquid acetone

    International Nuclear Information System (INIS)

    Schindler, W.; Sharko, P.T.; Jonas, J.

    1982-01-01

    The Raman line shape of the symmetric C = O stretching band at 1710 cm -1 has been measured in liquid acetone as a function of pressure from 1 bar to 4 kbar over the temperature range from -25 to 50 0 C. The experimental data obtained show several unusual features. First, there is a frequency difference of about 7 cm -1 between the polarized and depolarized components. Sceond, the isotropic linewidth GAMMA/sub iso/ decreases with increasing density, in contrast to the opposite trend usually found in other liquids. Third, the second moment M 2 (V) of the isotropic band appears to decrease with increasing density. The consideration of the experimental linewidth and frequency data leads to a conclusion that intermolecular dipole--dipole coupling between polar acetone molecules are responsible for the observed unusual behavior of , GAMMA/sub iso/, and M 2

  12. 1-Butyl-3-Methylimidazolium Tetrafluoroborate Film as a Highly Selective Sensing Material for Non-Invasive Detection of Acetone Using a Quartz Crystal Microbalance

    Directory of Open Access Journals (Sweden)

    Wenyan Tao

    2017-01-01

    Full Text Available Breath acetone serves as a biomarker for diabetes. This article reports 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4], a type of room temperature ionic liquid (RTIL, as a selective sensing material for acetone. The RTIL sensing layer was coated on a quartz crystal microbalance (QCM for detection. The sensing mechanism is based on a decrease in viscosity and density of the [bmim][BF4] film due to the solubilization of acetone leading to a positive frequency shift in the QCM. Acetone was detected with a linear range from 7.05 to 750 ppmv. Sensitivity and limit of detection were found to be 3.49 Hz/ppmv and 5.0 ppmv, respectively. The [bmim][BF4]-modified QCM sensor demonstrated anti-interference ability to commonly found volatile organic compounds in breath, e.g., isoprene, 1,2-pentadiene, d-limonene, and dl-limonene. This technology is useful for applications in non-invasive early diabetic diagnosis.

  13. Influence of concentration of sucrose on the acetone-butanol fermentation by different strains of Clostridium

    Energy Technology Data Exchange (ETDEWEB)

    Bahadue, K; Saroj, K K

    1959-01-01

    To culture media containing (NH/sub 4/)/sub 2/SO/sub 4/ (0.34 g) and MgSO/sub 4/ (0.16 g), were added 5, 10, and 20% sucrose, respectively; the pH was adjusted to 6.4 with KH/sub 2/PO/sub 4/-NaOH buffer; the volume of each medium was made up to 200 ml. The media were sterilized. After cooling, the media at the 5, 10, 20% sucrose levels were inoculated separately with C. butyricum, C. butyricum 6084, C. acetobutylicum NRRL B-527, C. pasteurianum NRRL B-598, C. butylicus NRRL B-592, and C. pasteurianum ATCC 6013. The cultures were incubated for 20 days at 35 degrees. For maximum butanol yield the 5% sucrose level was optimum for all the strains tested. At the 10% sucrose level great increase in sugar consumption occurred with C. butyricum Frolund, C. pasteurianum ATCC-6013, and C. butylicus IAL 15-152. Twice as much sucrose was consumed with C. acetobutylicum ATCC 6013, and NRRL B-572, and C. pasteurianum NRRL B-598. The increased sucrose consumption did not result in increased production of butanol or acetone. No acetone or butanol was formed with C. butyricum Frolund when the sucrose concentration was increased from 5 to 10%. With the increase in sucrose concentration, the formation of butanol and acetone decreased; acid formation was also inhibited.

  14. Nesterenkonia sp. strain F, a halophilic bacterium producing acetone, butanol, and ethanol under aerobic conditions.

    Science.gov (United States)

    Amiri, Hamid; Azarbaijani, Reza; Parsa Yeganeh, Laleh; Shahzadeh Fazeli, Abolhassan; Tabatabaei, Meisam; Salekdeh, Ghasem Hosseini; Karimi, Keikhosro

    2016-01-04

    The moderately halophilic bacterium Nesterenkonia sp. strain F, which was isolated from Aran-Bidgol Lake (Iran), has the ability to produce acetone, butanol, and ethanol (ABE) as well as acetic and butyric acids under aerobic and anaerobic conditions. This result is the first report of ABE production with a wild microorganism from a family other than Clostridia and also the first halophilic species shown to produce butanol under aerobic cultivation. The cultivation of Nesterenkonia sp. strain F under anaerobic conditions with 50 g/l of glucose for 72 h resulted in the production of 105 mg/l of butanol, 122 mg/l of acetone, 0.2 g/l of acetic acid, and 2.5 g/l of butyric acid. Furthermore, the strain was cultivated on media with different glucose concentrations (20, 50, and 80 g/l) under aerobic and anaerobic conditions. Through fermentation with a 50 g/l initial glucose concentration under aerobic conditions, 66 mg/l of butanol, 125 mg/l of acetone, 291 mg/l of ethanol, 5.9 g/l of acetic acid, and 1.2 g/l of butyric acid were produced. The enzymes pertaining to the fermentation pathway in the strain were compared with the enzymes of Clostridium spp., and the metabolic pathway of fermentation used by Nesterenkonia sp. strain F was investigated.

  15. In situ hydrogen, acetone, butanol, ethanol and microdiesel production by Clostridium acetobutylicum ATCC 824 from oleaginous fungal biomass.

    Science.gov (United States)

    Hassan, Elhagag Ahmed; Abd-Alla, Mohamed Hemida; Bagy, Magdy Mohamed Khalil; Morsy, Fatthy Mohamed

    2015-08-01

    An in situ batch fermentation technique was employed for biohydrogen, acetone, butanol, ethanol and microdiesel production from oleaginous fungal biomass using the anaerobic fermentative bacterium Clostridium acetobutylicum ATCC 824. Oleaginous fungal Cunninghamella echinulata biomass which has ability to accumulate up to 71% cellular lipid was used as the substrate carbon source. The maximum cumulative hydrogen by C. acetobutylicum ATCC 824 from crude C. echinulata biomass was 260 ml H2 l(-1), hydrogen production efficiency was 0.32 mol H2 mole(-1) glucose and the hydrogen production rate was 5.2 ml H2 h(-1). Subsequently, the produced acids (acetic and butyric acids) during acidogenesis phase are re-utilized by ABE-producing clostridia and converted into acetone, butanol, and ethanol. The total ABE produced by C. acetobutylicum ATCC 824 during batch fermentation was 3.6 g l(-1) from crude fungal biomass including acetone (1.05 g l(-1)), butanol (2.19 g l(-1)) and ethanol (0.36 g l(-1)). C. acetobutylicum ATCC 824 has ability to produce lipolytic enzymes with a specific activity 5.59 U/mg protein to hydrolyze ester containing substrates. The lipolytic potential of C. acetobutylicum ATCC 824 was used as a biocatalyst for a lipase transesterification process using the produced ethanol from ABE fermentation for microdiesel production. The fatty acid ethyl esters (microdiesel) generated from the lipase transesterification of crude C. echinulata dry mass was analyzed by GC/MS as 15.4% of total FAEEs. The gross energy content of biohydrogen, acetone, butanol, ethanol and biodiesel generated through C. acetobutylicum fermentation from crude C. echinulata dry mass was 3113.14 kJ mol(-1). These results suggest a possibility of integrating biohydrogen, acetone, butanol and ethanol production technology by C. acetobutylicum with microdiesel production from crude C. echinulata dry mass and therefore improve the feasibility and commercialization of bioenergy production

  16. First-principles investigations of electronic and magnetic properties of SrTiO3 (001) surfaces with adsorbed ethanol and acetone molecules

    Science.gov (United States)

    Adeagbo, Waheed A.; Fischer, Guntram; Hergert, Wolfram

    2011-05-01

    First-principles methods based on density functional theory are used to investigate the electronic and magnetic properties of molecular interaction of the TiO2 terminated SrTiO3 (100) surface with ethanol or acetone. Both the perfect surface and the surface with an oxygen or a titanium vacancy in the top layer are considered. Ethanol and acetone are preferentially adsorbed molecularly via their respective oxygen atom on top of the Ti atom on the perfect surface. In case of an oxygen vacancy the adsorption of ethanol or acetone occurs directly on top of the vacancy and does not significantly affect the magnetism caused by the vacancy. In the case of a titanium vacancy both adsorbates occupy positions above Ti atoms. During this adsorption process the ethanol molecule dissociates into a CH3CO radical and three hydrogen atoms. The latter form hydroxide bonds with three of the four dangling oxygen bonds around the Ti vacancy and any magnetic moment induced by the Ti vacancy is annihilated. Thus the ethanol and acetone have a different impact on the surface magnetism of the SrTiO3 (100) surface.

  17. Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase

    Science.gov (United States)

    Xu, Wenwen; Wu, Fengqi; Zhao, Yanying; Zhou, Ran; Wang, Huigang; Zheng, Xuming; Ni, Bukuo

    2017-03-01

    The isotropic and anisotropic Raman spectra of acetone and deuterated acetone isolated in an argon matrix have been recorded for the understanding of noncoincidence effect (NCE) phenomenon. According to the matrix isolated Raman spectra and DFT calculations, we proposed aggregated model for the explanations of the acetone C=O vibration NCE phenomenon and its concentration effect. The experimental data were in consistence with the DFT calculations performed at the B3LYP-D3/6-311 G (d,p) levels based on the proposed model. The experimental identification of the monomer, dimer and trimer are reported here, and the dynamic of the transformation from monomer to aggregated structure can be easily controlled by tuning annealing temperature.

  18. Mathematical modeling of blood-gas kinetics for the volatile organic compounds isoprene and acetone

    International Nuclear Information System (INIS)

    King, J.

    2010-01-01

    Breath gas analysis is based on the compelling concept that the exhaled breath levels of endogenously produced volatile organic compounds (VOCs) can provide a direct, non-invasive window to the blood and hence, by inference, to the body. In this sense, breath VOCs are regarded as a comprehensive repository of valuable physiological and clinical information, that might be exploited in such diverse areas as diagnostics, therapeutic monitoring or general dynamic assessments of metabolic function, pharmacodynamics (e.g., in drug testing) and environmental exposure (e.g., in occupational health). Despite this enormous potential, the lack of standardized breath sampling regimes as well as the poor mechanistic understanding of VOC exhalation kinetics could cast a cloud over the widespread use of breath gas analysis in the biomedical sciences. In this context, a primary goal of the present thesis is to provide a better quantitative insight into the breath behavior of two prototypic VOCs, isoprene and acetone. A compartmental modeling framework is developed and validated by virtue of real-time breath measurements of these trace gases during distinct physiological states. In particular, the influence of various hemodynamic and ventilatory parameters on VOC concentrations in exhaled breath is investigated. This approach also complements previous steady state investigations in toxicology. From a phenomenological point of view, both acetone and isoprene concentrations in end-tidal breath are demonstrated to exhibit a reproducible non-steady state behavior during moderate workload challenges on a stationary bicycle. However, these dynamics depart drastically from what is expected on the basis of classical pulmonary inert gas elimination theory. More specifically, the start of exercise is accompanied by an abrupt increase in breath isoprene levels, usually by a factor of 3 to 4 compared with the steady state value during rest. This phase is followed by a gradual decline and the

  19. Aldol Condensation of Citral with Acetone on Basic Solid Catalysts

    Directory of Open Access Journals (Sweden)

    NODA C.

    1998-01-01

    Full Text Available The catalytic performance of solids with basic properties, such as CaO, MgO and hydrotalcites, was evaluated in the aldol condensation of citral and acetone, the first step in the synthesis of ionones from citral. The best results were obtained with CaO and hydrotalcite with high conversions (98% and selectivities (close to 70% for the main product observed for both of the catalyst. Such pseudoionone yields were greater than those reported in the literature for the homogeneous reaction.

  20. Molybdenum(5) template action in acetone with ethylenediamine condensation reaction

    International Nuclear Information System (INIS)

    Ashurova, N.Kh.; Yakubov, K.G.; Tsivadze, A.Yu.; AN SSSR, Moscow

    1994-01-01

    Ability of molybdenum(5) oxopentahalides [MoOX 5 ] 2- (X = Cl - , Br - ) to show their template action in acetone with ethylenediamine condensation reaction is identified. Macrocyclic metallic complexes [MoO(Td)X]X 2 , where Td is 5,7,7,12,14,14 hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11 dien, are separated and identified. Perchlorate salt of Td·2HClO 4 macrocycle is obtained through action of concentrated perchloric acid on synthesized complexes. 13 refs.; 3 figs

  1. Production of acetone, butanol, and ethanol from biomass of the green seaweed Ulva lactuca

    NARCIS (Netherlands)

    Wal, van der H.; Sperber, B.L.H.M.; Houweling-Tan, G.B.N.; Bakker, R.R.C.; Brandenburg, W.A.; Lopez Contreras, Ana

    2013-01-01

    Green seaweed Ulva lactuca harvested from the North Sea near Zeeland (The Netherlands) was characterized as feedstock for acetone, ethanol and ethanol fermentation. Solubilization of over 90% of sugars was achieved by hot-water treatment followed by hydrolysis using commercial cellulases. A

  2. Composition tunable cobalt–nickel and cobalt–iron alloy nanoparticles below 10 nm synthesized using acetonated cobalt carbonyl

    International Nuclear Information System (INIS)

    Schooneveld, Matti M. van; Campos-Cuerva, Carlos; Pet, Jeroen; Meeldijk, Johannes D.; Rijssel, Jos van; Meijerink, Andries; Erné, Ben H.; Groot, Frank M. F. de

    2012-01-01

    A general organometallic route has been developed to synthesize Co x Ni 1−x and Co x Fe 1−x alloy nanoparticles with a fully tunable composition and a size of 4–10 nm with high yield. In contrast to previously reported synthesis methods using dicobalt octacarbonyl (Co 2 (CO) 8 ), here the cobalt–cobalt bond in the carbonyl complex is first broken with anhydrous acetone. The acetonated compound, in the presence of iron carbonyl or nickel acetylacetonate, is necessary to obtain small composition tunable alloys. This new route and insights will provide guidelines for the wet-chemical synthesis of yet unmade bimetallic alloy nanoparticles.

  3. Production of acetone, butanol, and ethanol from biomass of the green seaweed Ulva lactuca.

    Science.gov (United States)

    van der Wal, Hetty; Sperber, Bram L H M; Houweling-Tan, Bwee; Bakker, Robert R C; Brandenburg, Willem; López-Contreras, Ana M

    2013-01-01

    Green seaweed Ulva lactuca harvested from the North Sea near Zeeland (The Netherlands) was characterized as feedstock for acetone, ethanol and ethanol fermentation. Solubilization of over 90% of sugars was achieved by hot-water treatment followed by hydrolysis using commercial cellulases. A hydrolysate was used for the production of acetone, butanol and ethanol (ABE) by Clostridium acetobutylicum and Clostridium beijerinckii. Hydrolysate-based media were fermentable without nutrient supplementation. C. beijerinckii utilized all sugars in the hydrolysate and produced ABE at high yields (0.35 g ABE/g sugar consumed), while C. acetobutylicum produced mostly organic acids (acetic and butyric acids). These results demonstrate the great potential of U. lactuca as feedstock for fermentation. Interestingly, in control cultures of C. beijerinckii on rhamnose and glucose, 1,2 propanediol was the main fermentation product (9.7 g/L). Copyright © 2012 Elsevier Ltd. All rights reserved.

  4. Assessment of in situ butanol recovery by vacuum during acetone butanol ethanol (ABE) fermentation

    Science.gov (United States)

    Butanol fermentation is product limiting due to butanol toxicity to microbial cells. Butanol (boiling point: 118 deg C) boils at a greater temperature than water (boiling point: 100 deg C) and application of vacuum technology to integrated acetone-butanol-ethanol (ABE) fermentation and recovery may ...

  5. Biofiltration of a styrene/acetone vapor mixture in two reactor types under conditions of styrene overloading

    Directory of Open Access Journals (Sweden)

    Lubos Zapotocky

    2014-10-01

    Full Text Available This aim of study was to compare the performance of a biofilter (BF and trickle bed reactor (TBR under increased styrene loading with a constant acetone load, 2 gc/m3/h. At styrene loading rates up to 30 gc/m3/h, the BF showed higher styrene removal than TBR. However, the BF efficiency started to drop beyond this threshold loading and could never reach steady state, whereas the TBR continued to yield a 50% styrene removal. The acetone removal remained constant (93-98% in both the reactors at any styrene loading. Once the overloading was lifted, the BF recovered within 26 min, whereas the TBR efficiency bounced back only to 95%, gradually returning to complete removal only in 10 h.

  6. Synthesis of La2O3 doped Zn2SnO4 hollow fibers by electrospinning method and application in detecting of acetone

    Science.gov (United States)

    Yang, H. M.; Ma, S. Y.; Yang, G. J.; Chen, Q.; Zeng, Q. Z.; Ge, Q.; Ma, L.; Tie, Y.

    2017-12-01

    Hollow porous pure and La2O3 doped Zn2SnO4 fibers were synthesized via single capillary electrospinning technology and used for obtaining of gas sensors. The as-prepared samples were characterized by microscopy, Brunauer-Emmett-Teller, X-ray photoelectron spectroscopy and UV-vis absorption spectra. The newly obtained gas sensors were investigated for acetone detection. Compared with pure Zn2SnO4 hollow fibers, the La2O3 doped Zn2SnO4 hollow fibers not only exhibited perfect sensing performance toward acetone with excellent selectivity, high response and fast response/recovery capability (7 s for adsorption and 9 s for desorption), but also the operating temperature was reduced from 240 °C to 200 °C. These results demonstrated that the special hollow porous La doped Zn2SnO4 fibers structures were used as the sensing material for fabricating high performance acetone sensors. The acetone sensing mechanism of La2O3 doped Zn2SnO4 hollow fibers was discussed too.

  7. Influence of concentration of sucrose on the acetone-butanol fermentation by different strains of Clostridium

    Energy Technology Data Exchange (ETDEWEB)

    Bahadur, K; Saroj, K K

    1959-01-01

    To culture media containing (NH/sub 4/)/sub 2/SO/sub 4/ (0.34 g) and MgSO/sub 4/ (0.16 g), were added 5, 10, and 20% sucrose, respectively; the pH was adjusted to 6.4 with KH/sub 2/PO/sub 4/-NaOH buffer; the volume of each medium was made up to 200 ml. The media were sterilized. After cooling, the media at the 5, 10, 20% sucrose levels were inoculated separately with C. butyricum, C. butyricum 6084, C. acetobutylicum NRRL B-527, C. pasteurianum NRRL B-598, C. butylicus NRRL B-592, nd C. pasteurianum ATCC 6013. The cultures were incubated for 20 days at 35/sup 0/. For maximum BuOH yield the 5% sucrose level was optimum for all the strains tested. At the 10% sucrose level great increase in sugar consumption occurred with C. butyricum Frolund, C. pasteurianum ATCC-6013, and C. butylicus IAL 15-152. Twice as much sucrose was consumed with C. acetobutylicum ATCC 10132, and NRRL B-572, and C. pasteurianum NRRL B-598. The increased sucrose consumption did not result in increased production of BuOH or acetone. No acetone or BuOH was formed with C. butyricum Frolund when the sucrose concentration was increased from 5 to 10%. With the increase in sucrose concentration, the formation of BuH and acetone decreased; acid formation was also inhibited.

  8. Synthesis of Ce-doped SnO{sub 2} nanoparticles and their acetone gas sensing properties

    Energy Technology Data Exchange (ETDEWEB)

    Lian, Xiaoxue, E-mail: lianxiaoxues@163.com; Li, Yan; Tong, Xiaoqiang; Zou, Yunling; Liu, Xiulin; An, Dongmin; Wang, Qiong

    2017-06-15

    Highlights: • The Ce-doped SnO{sub 2} nanoparticles were fabricated via a simple hydrothermal method. • Ce ions were successfully doped into the SnO{sub 2} lattice, and 5 wt% SnO{sub 2}:Ce had a higher specific surface area. • The Ce-doped SnO{sub 2} nanoparticles exhibited the highest response values and a well selectivity to acetone. - Abstract: Hydrothermal method was generally used to synthesis nanoparticles, which was used to fabricate pure and Ce-doped (3 wt%, 5 wt%, 7 wt%) SnO{sub 2} nanoparticles in this experiment. The as-prepared products were characterized by X-ray diffraction (XRD), energy dispersive spectrum (EDS), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and Brunauer–Emmett–Teller (BET). The results clearly indicated that the nanoparticles were composed of SnO{sub 2} nanoparticles and Ce ions were successfully doped into the SnO{sub 2} lattice, and 5 wt% SnO{sub 2}:Ce has a higher specific surface area (173.53 m{sup 2}/g). Importantly, SnO{sub 2}:Ce sensor had obviously improved performance compared to pure SnO{sub 2} and exhibited the highest response values (50.5 for 50 ppm) and a well selectivity to acetone at 270 °C. It could detect acetone gas in a wide concentration range with very high response, good long-term stability and repeatability of response. The possible sensing mechanism was discussed in this paper.

  9. Quantitative phosphoproteomics using acetone-based peptide labeling: Method evaluation and application to a cardiac ischemia/reperfusion model

    Science.gov (United States)

    Wijeratne, Aruna B.; Manning, Janet R.; Schultz, Jo El J.; Greis, Kenneth D.

    2013-01-01

    Mass spectrometry (MS) techniques to globally profile protein phosphorylation in cellular systems that are relevant to physiological or pathological changes have been of significant interest in biological research. In this report, an MS-based strategy utilizing an inexpensive acetone-based peptide labeling technique known as reductive alkylation by acetone (RABA) for quantitative phosphoproteomics was explored to evaluate its capacity. Since the chemistry for RABA-labeling for phosphorylation profiling had not been previously reported, it was first validated using a standard phosphoprotein and identical phosphoproteomes from cardiac tissue extracts. A workflow was then utilized to compare cardiac tissue phosphoproteomes from mouse hearts not expressing FGF2 vs. hearts expressing low molecular weight fibroblast growth factor-2 (LMW FGF2) to relate low molecular weight fibroblast growth factor-2 (LMW FGF2) mediated cardioprotective phenomena induced by ischemia/reperfusion (I/R) injury of hearts, with downstream phosphorylation changes in LMW FGF2 signaling cascades. Statistically significant phosphorylation changes were identified at 14 different sites on 10 distinct proteins including some with mechanisms already established for LMW FGF2-mediated cardioprotective signaling (e.g. connexin-43), some with new details linking LMW FGF2 to the cardioprotective mechanisms (e.g. cardiac myosin binding protein C or cMyBPC), and also several new downstream effectors not previously recognized for cardio-protective signaling by LMW FGF2. Additionally, one of the phosphopeptides, cMyBPC/pSer-282, identified was further verified with site-specific quantification using an SRM (selected reaction monitoring)-based approach that also relies on isotope labeling of a synthetic phosphopeptide with deuterated acetone as an internal standard. Overall, this study confirms that the inexpensive acetone-based peptide labeling can be used in both exploratory and targeted quantification

  10. Iminium-ion formation and deuterium exchange by acetone in the presence of pyrrolidine, pyrazolidine, isoxazolidine, and their acyclic analogues

    International Nuclear Information System (INIS)

    Hine, J.; Evangelista, R.A.

    1980-01-01

    Equilibrium constants for iminium-ion-formation in the reaction of in acetone in aqueous solution at 35 0 C with pyrazolidinium, isoxazolidinium, O,N-dimethylhydroxylammonium, and N,N'-dimethylhydrazinium ions were found to be 9.33, 8.96, 0.117, and 0.057 M -1 , respectively. The kinetics of hydrolysis of the iminium ions were studied in every case except that of the N-isopropylidene-O,N-dimethylhydroxylammonium ion, whose hydrolysis is too fast to follow by the techniques used with the other iminium ions. The rate of hydrolysis of the N-isopropylidenepyrazolidinium ion is independent of the pH from about pH 3 to 6; it is hydrogen ion catalyzed at lower pHs and hydroxide ion catalyzed at higher pHs. The rate of hydrolysis of N-isopropylidenisoxazolidinium ions is Ph independent from pH 0.5 to about 2, increases until about pH 4, remains pH independent until pH 6.5, and has become too fast to measure above pH 8. Both reactions are general base catalyzed in all the buffers studied. A mechanism is described to fit the kinetics of each of these reactions. The dedeuteration of acetone-d 6 was studied pyridine buffers in the presence of each of the four hydrazine and hydroxylamine derivatives and also in the presence of the dimethylammonium and pyrrolidinium ion. All six of these secondary ammonium ions catalyze the dedeuteration by transforming the acetone-d 6 to an iminium ion that is dedeuterated by pyridine more rapidly than the ketone is. The iminium-ion formation is a relatively rapid equilibrium in all cases except that of pyrrolidinium ions, where the intermediate iminium ion loses deuterium and hydrolyzes at comparable rates, and possibly the case of dimethylammonium ions, where the amount of catalysis via iminium-ion formation is too small to reveal mechanistic details. The effect of structure on the efficiency of catalysis of dedeuteration via iminium-ion formation is discussed. 3 figures, 7 tables

  11. Growth-temperature-dependent optical and acetone detection properties of ZnO thin films

    International Nuclear Information System (INIS)

    Shewale, P. S.; Yu, Y. S.

    2015-01-01

    Zinc oxide (ZnO) thin films were prepared onto glass substrates at moderately low growth temperature by two-stage spray pyrolysis technique. The effects of growth temperature on structural, optical and acetone detection properties were investigated with X-ray diffractometry, a UV–visible spectrophotometer, photoluminescence (PL) spectroscopy and a homemade gas sensor testing unit, respectively. All the films are polycrystalline with a hexagonal wurtzite phase and exhibit a preferential orientation along [002] direction. The film crystallinity is gradually enhanced with an increase in growth temperature. The optical measurements show that all the films are physically highly transparent with a transmittance greater than 82% in the visible range. The band gap of the film is observed to exhibit a slight red shift with an increasing growth temperature. The PL studies on the films show UV/violet PL band at ∼ 395 nm. Among all the films investigated, the film deposited at 250 °C demonstrates a maximum sensitivity of 13% towards 20 ppm of acetone vapors at 300 °C operating temperature. (paper)

  12. Development of Fourier transform mid-infrared calibrations to predict acetone, β-hydroxybutyrate, and citrate contents in bovine milk through a European dairy network.

    Science.gov (United States)

    Grelet, C; Bastin, C; Gelé, M; Davière, J-B; Johan, M; Werner, A; Reding, R; Fernandez Pierna, J A; Colinet, F G; Dardenne, P; Gengler, N; Soyeurt, H; Dehareng, F

    2016-06-01

    To manage negative energy balance and ketosis in dairy farms, rapid and cost-effective detection is needed. Among the milk biomarkers that could be useful for this purpose, acetone and β-hydroxybutyrate (BHB) have been proved as molecules of interest regarding ketosis and citrate was recently identified as an early indicator of negative energy balance. Because Fourier transform mid-infrared spectrometry can provide rapid and cost-effective predictions of milk composition, the objective of this study was to evaluate the ability of this technology to predict these biomarkers in milk. Milk samples were collected in commercial and experimental farms in Luxembourg, France, and Germany. Acetone, BHB, and citrate contents were determined by flow injection analysis. Milk mid-infrared spectra were recorded and standardized for all samples. After edits, a total of 548 samples were used in the calibration and validation data sets for acetone, 558 for BHB, and 506 for citrate. Acetone content ranged from 0.020 to 3.355mmol/L with an average of 0.103mmol/L; BHB content ranged from 0.045 to 1.596mmol/L with an average of 0.215mmol/L; and citrate content ranged from 3.88 to 16.12mmol/L with an average of 9.04mmol/L. Acetone and BHB contents were log-transformed and a part of the samples with low values was randomly excluded to approach a normal distribution. The 3 edited data sets were then randomly divided into a calibration data set (3/4 of the samples) and a validation data set (1/4 of the samples). Prediction equations were developed using partial least square regression. The coefficient of determination (R(2)) of cross-validation was 0.73 for acetone, 0.71 for BHB, and 0.90 for citrate with root mean square error of 0.248, 0.109, and 0.70mmol/L, respectively. Finally, the external validation was performed and R(2) obtained were 0.67 for acetone, 0.63 for BHB, and 0.86 for citrate, with respective root mean square error of validation of 0.196, 0.083, and 0.76mmol/L. Although

  13. Direct evidence of iNOS-mediated in vivo free radical production and protein oxidation in acetone-induced ketosis

    Science.gov (United States)

    Stadler, Krisztian; Bonini, Marcelo G.; Dallas, Shannon; Duma, Danielle; Mason, Ronald P.; Kadiiska, Maria B.

    2008-01-01

    Diabetic patients frequently encounter ketosis that is characterized by the breakdown of lipids with the consequent accumulation of ketone bodies. Several studies have demonstrated that reactive species are likely to induce tissue damage in diabetes, but the role of the ketone bodies in the process has not been fully investigated. In this study, electron paramagnetic resonance (EPR) spectroscopy combined with novel spin-trapping and immunological techniques has been used to investigate in vivo free radical formation in a murine model of acetone-induced ketosis. A six-line EPR spectrum consistent with the α-(4-pyridyl-1-oxide)-N-t-butylnitrone radical adduct of a carbon-centered lipid-derived radical was detected in the liver extracts. To investigate the possible enzymatic source of these radicals, inducible nitric oxide synthase (iNOS) and NADPH oxidase knockout mice were used. Free radical production was unchanged in the NADPH oxidase knockout but much decreased in the iNOS knockout mice, suggesting a role for iNOS in free radical production. Longer-term exposure to acetone revealed iNOS overexpression in the liver together with protein radical formation, which was detected by confocal microscopy and a novel immunospin-trapping method. Immunohistochemical analysis revealed enhanced lipid peroxidation and protein oxidation as a consequence of persistent free radical generation after 21 days of acetone treatment in control and NADPH oxidase knockout but not in iNOS knockout mice. Taken together, our data demonstrate that acetone administration, a model of ketosis, can lead to protein oxidation and lipid peroxidation through a free radical-dependent mechanism driven mainly by iNOS overexpression. PMID:18559982

  14. Initial Dynamics of The Norrish Type I Reaction in Acetone: Probing Wave Packet Motion

    DEFF Research Database (Denmark)

    Brogaard, Rasmus Y.; Sølling, Theis I.; Møller, Klaus Braagaard

    2011-01-01

    The Norrish Type I reaction in the S1 (nπ*) state of acetone is a prototype case of ketone photochemistry. On the basis of results from time-resolved mass spectrometry (TRMS) and photoelectron spectroscopy (TRPES) experiments, it was recently suggested that after excitation the wave packet travels...

  15. Acetone vapor sensing using a vertical cavity surface emitting laser diode coated with polystyrene

    DEFF Research Database (Denmark)

    Ansbæk, Thor; Nielsen, Claus Højgaard; Larsen, Niels Bent

    2009-01-01

    We report theoretical and experimental on a new vapor sensor, using a single-mode vertical-cavity surface-emitting laser (VCSEL) coated with a polymer sensor coating, which can detect acetone vapor at a volume fraction of 2.5%. The sensor provides the advantage of standard packaging, small form...

  16. Determination of breath isoprene and acetone concentration with a needle-type extraction device in gas chromatography-mass spectrometry.

    Science.gov (United States)

    Ueta, Ikuo; Mizuguchi, Ayako; Okamoto, Mitsuyoshi; Sakamaki, Hiroyuki; Hosoe, Masahiko; Ishiguro, Motoyuki; Saito, Yoshihiro

    2014-03-20

    Isoprene in human breath is said to be related to cholesterol metabolism, and the possibility of the correlations with some clinical parameters has been studied. However, at this stage, no clear benefit of breath isoprene has been reported for clinical diagnosis. In this work, isoprene and acetone concentrations were measured in the breath of healthy and obese subjects using a needle-type extraction device for subsequent analysis in gas chromatography-mass spectrometry (GC-MS) to investigate the possibility of these compounds as an indicator of possible diseases. After measuring intraday and interday variations of isoprene and acetone concentrations in breath samples of healthy subjects, their concentrations were also determined in 80 healthy and 17 obese subjects. In addition, correlation between these breath concentrations and the blood tests result was studied for these healthy and obese subjects. The results indicated successful determination of breath isoprene and acetone in this work, however, no clear correlation was observed between these measured values and the blood test results. Breath isoprene concentration may not be a useful indicator for obesity or hypercholesterolemia. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. The Performance of CO2 Laser Photoacoustic Spectrometer In Concentration Acetone Detection As Biomarker For Diabetes Mellitus Type 2

    Science.gov (United States)

    Tyas, F. H.; Nikita, J. G.; Apriyanto, D. K.; Mitrayana; Amin, M. N.

    2018-04-01

    Breath analysis is useful for the diagnosis of human diseases and monitoring of metabolic status. However, because of the low concentrations and the large numbers of compounds in the breath, the breath analysis requires highly sensitive and highly selective instruments to identify and determine the concentrations of certain biomarkers [1]. Various methods developed over the past 20 years to detect biomarker gases [2]. CO2 laser photoacoustic spectroscopy offers a sensitive technique for the detection and monitoring of gas footprints at low concentrations [3]. The performance of photoacoustic spectrometer (PAS) examined with intracavity configuration. In this research, the highest observed intracavity power was (49,96 ± 0,02) W for active medium gas composition He: N2: CO2 at 30:50:50. The highest laser absorption line for standard acetone gas set at 10P20, and the lowest detection limit set at (30 ± 4) ppb. For application purposes, the photoacoustic spectrometer was used to measure the concentration of acetone gas in exhaled gases from a group of patients with type 2 diabetes mellitus and a group of healthy volunteers. Exhaled gas sampling method took manually, and the measurement result was examined using multicomponent analysis. The measurement showed that the highest acetone gas concentration for type 2 diabetes mellitus patients was (162 ± 3) × 10 ppb and the lowest one was (101 ± 3) × 10 ppb. Furthermore, for healthy volunteers, the highest acetone gas concentration was (85 ± 3) × 10 ppb and the lowest one was (15 ± 3) × 10 ppb.

  18. Micropreconcentrator in LTCC Technology with Mass Spectrometry for the Detection of Acetone in Healthy and Type-1 Diabetes Mellitus Patient Breath

    Directory of Open Access Journals (Sweden)

    Artur Rydosz

    2014-10-01

    Full Text Available Breath analysis has long been recognized as a potentially attractive method for the diagnosis of several diseases. The main advantage over other diagnostic methods such as blood or urine analysis is that breath analysis is fully non-invasive, comfortable for patients and breath samples can be easily obtained. One possible future application of breath analysis may be the diagnosing and monitoring of diabetes. It is, therefore, essential, to firstly determine a relationship between exhaled biomarker concentration and glucose in blood as well as to compare the results with the results obtained from non-diabetic subjects. Concentrations of molecules which are biomarkers of diseases’ states, or early indicators of disease should be well documented, i.e., the variations of abnormal concentrations of breath biomarkers with age, gender and ethnic issues need to be verified. Furthermore, based on performed measurements it is rather obvious that analysis of exhaled acetone as a single biomarker of diabetes is unrealistic. In this paper, the author presents results of his research conducted on samples of breath gas from eleven healthy volunteers (HV and fourteen type- 1 diabetic patients (T1DM which were collected in 1-l SKC breath bags. The exhaled acetone concentration was measured using mass spectrometry (HPR-20 QIC, Hiden Analytical, Warrington, UK coupled with a micropreconcentrator in LTCC (Low Temperature Cofired Ceramic. However, as according to recent studies the level of acetone varies to a significant extent for each blood glucose concentration of single individuals, a direct and absolute relationship between blood glucose and acetone has not been proved. Nevertheless, basing on the research results acetone in diabetic breath was found to be higher than 1.11 ppmv, while its average concentration in normal breath was lower than 0.83 ppmv.

  19. Continuous acetone-ethanol-butanol fermentation by immobilized cells of Clostridium acetobutylicum

    Energy Technology Data Exchange (ETDEWEB)

    Badr, H.R.; Toledo, R.; Hamdy, M.K. [University of Georgia, Athens (Greece). Food Science and Technology Dept.

    2001-07-01

    Eight Clostridium acetobutylicum strains were examined for {alpha}-amylase and strains B-591, B-594 and P-262 had the highest activities. Defibered-sweet-potato-slurry (DSPS), containing 39.7 g starch l{sup -1}, supplemented with potassium phosphate (1.0 g l{sup -1}), cysteine-HCl (5.0 g l{sup -1}), the antifoam (polypropylene glycol, 0.1 mg ml{sup -1}), was used a continuous feedstock (FS) to a multistage bioreactor system for acetone-ethanol-butanol (AEB) fermentation. The system consisted on four columns (three vertical and one near horizontal) packed with beads containing immobilized cells of C. acetobutylicum P-262. When DSPS was pumped into the bioreactor system, at a flow rate of 2.36 ml min{sup -1}, the effluent has 7.73 g solvents l{sup -1} (1.56, acetone; 0.65, ethanol; 5.52 g, butanol) and no starch. Productivity of total solvents synthesized during continuous operation were 1.0 g 1{sup -1}h{sup -1} and 19.5 % yield compared to 0.12 g l{sup -1}h{sup -1} with 29% yield using the batch system. We proposed using DSPS for AEB fermentation in a continuous mode with immobilized P-262 cells that are active amylase producers which will lead to cost reduction compared to the batch system. (Author)

  20. Mobility and Molecular Ions of Dimethyl Methyl Phosphonate, Methyl Salicylate, and Acetone.

    Science.gov (United States)

    1983-06-01

    Plasma Chromatography, is an analytical technique used to detect, identify, and quantify trace quantities of organic vapors in gaseous mixtures. IMS is...work has shown excellent detection sensitivity for trace quantities of pesticides,𔃻 TNT,2 nickel carbonyl , and phosphorus esters." Extensive work by...vacuum distilled at 4 torr to remove phosphite and other impurities. The acetone was ACS grade from laboratory stock. The methyl salicylate was ob

  1. Pressure and temperature-dependent quantum yields for the photodissociation of acetone between 279 and 327.5 nm

    Science.gov (United States)

    Blitz, M. A.; Heard, D. E.; Pilling, M. J.; Arnold, S. R.; Chipperfield, M. P.

    2004-03-01

    The photodissociation of acetone has been studied over the wavelength (λ) range 279-327.5 nm as a function of temperature (T) and pressure (p) using a spectroscopic method to monitor the acetyl (CH3CO) radical fragment. Above 310 nm the quantum yield (QY) is substantially smaller than previous measurements, and decreases with T. The QYs for production of CH3CO + CH3 and CH3 + CH3 + CO have been parameterised as a function of λ, p and T and used to calculate the altitude dependence of the photolysis frequency. In the upper troposphere (UT) the acetone photolysis lifetime is a factor of 2.5-10 longer, dependent upon latitude and season, than if the previously recommended QYs are used.

  2. Strong blue emission from ZnO nanocrystals synthesized in acetone-based solvent

    International Nuclear Information System (INIS)

    Efafi, B.; Majles Ara, M.H.; Mousavi, S.S.

    2016-01-01

    In this research, ZnO nanocrystals were synthesized by an improved sol–gel method. UV–vis, FTIR and photoluminescence spectra of the ZnO solution synthesized by this route indicated different properties compared to the other preparation methods. It was observed from FTIR that the sol (prepared using acetone) with the low concentration contains a noticeable amount of the Zn–O bond. The PL spectrum with a strong blue emission confirmed that these nanocrystals are good candidate for use in applications where a monochromatic emission is required. To the best of our knowledge, monochromatic emission ZnO devices have been fabricated through high technology instruments but this paper introduces a simple method for preparation of ZnO with the high intensity blue peak. The size and morphology of ZnO nanocrystals have been studied using FESEM. The nanocrystal size was estimated about 70 nm which was in good agreement with XRD data. - Highlights: • Preparation of ZnO nanocrystals through a novel method by the use of acetone as the solvent. • Observation of the strong blue emission peak from the ZnO prepared solution. • Reduction of green emission in the synthesized sample compared to the other methods of preparation.

  3. Strong blue emission from ZnO nanocrystals synthesized in acetone-based solvent

    Energy Technology Data Exchange (ETDEWEB)

    Efafi, B. [NanoPhotonics Lab., Physics Department, Kharazmi University, Tehran (Iran, Islamic Republic of); Departments of Physics, Iran University of Science & Technology, Tehran (Iran, Islamic Republic of); Majles Ara, M.H., E-mail: majlesara@gmail.com [NanoPhotonics Lab., Physics Department, Kharazmi University, Tehran (Iran, Islamic Republic of); Mousavi, S.S. [NanoPhotonics Lab., Physics Department, Kharazmi University, Tehran (Iran, Islamic Republic of)

    2016-10-15

    In this research, ZnO nanocrystals were synthesized by an improved sol–gel method. UV–vis, FTIR and photoluminescence spectra of the ZnO solution synthesized by this route indicated different properties compared to the other preparation methods. It was observed from FTIR that the sol (prepared using acetone) with the low concentration contains a noticeable amount of the Zn–O bond. The PL spectrum with a strong blue emission confirmed that these nanocrystals are good candidate for use in applications where a monochromatic emission is required. To the best of our knowledge, monochromatic emission ZnO devices have been fabricated through high technology instruments but this paper introduces a simple method for preparation of ZnO with the high intensity blue peak. The size and morphology of ZnO nanocrystals have been studied using FESEM. The nanocrystal size was estimated about 70 nm which was in good agreement with XRD data. - Highlights: • Preparation of ZnO nanocrystals through a novel method by the use of acetone as the solvent. • Observation of the strong blue emission peak from the ZnO prepared solution. • Reduction of green emission in the synthesized sample compared to the other methods of preparation.

  4. Aldol condensation of furfural with acetone over ion-exchanged and impregnated potassium BEA zeolites

    Czech Academy of Sciences Publication Activity Database

    Kikhtyanin, O.; Bulánek, R.; Frolich, K.; Čejka, Jiří; Kubička, D.

    2016-01-01

    Roč. 424, DEC 2016 (2016), s. 358-368 ISSN 1381-1169 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388955 Keywords : activated hydrotalcites * carbon-monoxide * cyclic-ketones * Acetone * Furfural * Condensation * Potassium-BEA * Zeolite Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.211, year: 2016

  5. Applications of Hadamard transform-gas chromatography/mass spectrometry to the detection of acetone in healthy human and diabetes mellitus patient breath.

    Science.gov (United States)

    Fan, Gang-Ting; Yang, Chien-Lin; Lin, Cheng-Huang; Chen, Chien-Chung; Shih, Chung-Hung

    2014-03-01

    The Hadamard transform-gas chromatography/mass spectrometry (HT-GC/MS) technique was successfully employed to detect acetone, a biomarker for diabetes mellitus (DM) prediction, in human breath. Samples of exhaled breath were collected from four DM patients (one type-I and three type-II) and eight volunteers (nondiabetic healthy subjects), respectively. The gas samples, without any pretreatment, were simultaneously injected into a GC column through a Hadamard-injector based on Hadamard codes. Under optimized conditions, when cyclic S-matrix orders of 255, 1023 and 2047 were used, the S/N ratios of the acetone signals were substantially improved by 8.0-, 16.0- and 22.6-fold, respectively; these improvements are in good agreement with theoretically calculated values. We found that the breath acetone concentration levels in the four DM patients and the eight volunteers ranged from 1 to 10 ppmv and 0.1 to 1 ppmv, respectively. Copyright © 2014 Elsevier B.V. All rights reserved.

  6. N,N,N′,N′,N′′-Pentamethyl-N′′-[2-(trimethylazaniumylethyl]guanidinium bis(tetraphenylborate acetone monosolvate

    Directory of Open Access Journals (Sweden)

    Ioannis Tiritiris

    2016-02-01

    Full Text Available The asymmetric unit of the title solvated salt, C11H28N42+·2C24H20B−·C3H6O, comprises two cations, four tetraphenylborate anions and two acetone molecules. One cation shows an orientational disorder at the CN3 moiety and two sets of N-atom positions were found related by a 60° rotation, with a refined occupancy ratio of 0.935 (1:0.065 (1. The respective nitrogen-bonded –CH2 and –CH3 groups are included in the disorder model. The C—N bond lengths in the central CN3 units of both guanidinium ions range between 1.3329 (17 and 1.364 (16 Å, indicating a degree of double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal–planar geometry and one positive charge is delocalized in the CN3 plane. The C—N bond lengths in the terminal trimethylammonium groups have values close to a typical single bond, and the second positive charge is localized there. In the crystal, the guanidinium ions are connected by C—H...O hydrogen bonds with the acetone molecules. C—H...π interactions are present between the guanidinium and acetone hydrogen atoms and the phenyl rings of the tetraphenylborate ions, leading to the formation of a two-dimensional supramolecular pattern along the bc plane.

  7. Antifungal activity of acetone extracts from Punica granatum L., Quercus suber L. and Vicia faba L.

    Science.gov (United States)

    Akroum, S

    2017-03-01

    Human and animal mycoses become more frequent and more resistant to traditional treatments. In this work, we tested the in vitro antifungal activity of acetonic extracts of Punica granatum L., Quercus suber L. and Vicia faba L. against seven pathogen fungi and the in vivo antifungal activity against Candida albicans and Trichophyton mentagrophytes. The phytochemical screening was also carried out and showed that the extracts contained mainly proanthocyanidins. Other polyphenols were also present but in low quantity. The acetone extract of V. faba L. gave a good in vitro inhibition of yeasts and was the most active for treating candidiasis in mice. It decreased the percentage of mortality with only 20μg. But the in vivo antifungal activity of this extract on T. mentagrophytes was low. It only showed a small diminution of crusting and erythema after the administration of 100μg. On the contrary, the acetone extracts of P. granatum L. had a poor activity against yeasts and a better one against moulds. It gave the best in vivo antifungal activity against T. mentagrophytes by healing animals with 40μg. The extract of P. granatum L. gave also an interesting in vivo antifungal activity against T. mentagrophytes with an active dose of 80μg. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  8. Aqueous-acetone extraction improves the drawbacks of using dimethylsulfoxide as solvent for photometric pigment quantification in Quercus ilex leaves

    International Nuclear Information System (INIS)

    Gonzalez-Cascon, R.; Jiménez-Fenoy, L.; Verdú-Fillola, I.; Martín, M.P.

    2017-01-01

    Aim of study: We evaluated the use of dimethylsulfoxide (DMSO) for the photometric determination of chlorophyll (Chla and Chlb) and carotenoids in Quercus ilex L. leaves by comparative analysis using aqueous-acetone extraction. Area of study: a Q. ilex dehesa in Las Majadas del Tietar, Cáceres, Spain Material and methods: Q. ilex leaves were sampled during two vegetative periods. Field SPAD-502 Chlorophyll measurements and photometric chlorophyll determinations were performed. Two procedures were used: extraction of intact foliar discs at 65ºC with DMSO and fine foliar powder with cold aqueous-acetone. Main results: DMSO produced Chlb overestimation and different fitting performance for SPAD vs pigment calibrations (R2=0.64, RMSE=0.20, p<0.0001 for Chla (µg/cm2); R2=0.33, RMSE=0.23, p<0.0001 for Chlb (µg/cm2) and R2=0.50, RMSE=0.23, p<0.0001 for carotenoids (µg/cm2)). Aqueous-acetone provided more accurate predictions (R2=0.90, RMSE=0.16, p<0.0001 for Chla and R2=0.91, RMSE=0.16, p<0.0001 for Chlb, R2=0.90, RMSE=0.02, p<0.0001 for carotenoids) and mean ratio Chla/Chlb=3.6 inside the range for sun exposed leaves. Research highlights: Oxidizing conditions and polyphenol concentrations in Q. ilex leaves generated brown coloration in the DMSO extraction procedure, interfering with the photometric measurements in the red-orange region. Aqueous-acetone extraction was free from interference. DMSO should be avoided for pigment determination in Q. ilex leaves or when comparing different tree species.

  9. Aqueous-acetone extraction improves the drawbacks of using dimethylsulfoxide as solvent for photometric pigment quantification in Quercus ilex leaves

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Cascon, R.; Jiménez-Fenoy, L.; Verdú-Fillola, I.; Martín, M.P.

    2017-11-01

    Aim of study: We evaluated the use of dimethylsulfoxide (DMSO) for the photometric determination of chlorophyll (Chla and Chlb) and carotenoids in Quercus ilex L. leaves by comparative analysis using aqueous-acetone extraction. Area of study: a Q. ilex dehesa in Las Majadas del Tietar, Cáceres, Spain Material and methods: Q. ilex leaves were sampled during two vegetative periods. Field SPAD-502 Chlorophyll measurements and photometric chlorophyll determinations were performed. Two procedures were used: extraction of intact foliar discs at 65ºC with DMSO and fine foliar powder with cold aqueous-acetone. Main results: DMSO produced Chlb overestimation and different fitting performance for SPAD vs pigment calibrations (R2=0.64, RMSE=0.20, p<0.0001 for Chla (µg/cm2); R2=0.33, RMSE=0.23, p<0.0001 for Chlb (µg/cm2) and R2=0.50, RMSE=0.23, p<0.0001 for carotenoids (µg/cm2)). Aqueous-acetone provided more accurate predictions (R2=0.90, RMSE=0.16, p<0.0001 for Chla and R2=0.91, RMSE=0.16, p<0.0001 for Chlb, R2=0.90, RMSE=0.02, p<0.0001 for carotenoids) and mean ratio Chla/Chlb=3.6 inside the range for sun exposed leaves. Research highlights: Oxidizing conditions and polyphenol concentrations in Q. ilex leaves generated brown coloration in the DMSO extraction procedure, interfering with the photometric measurements in the red-orange region. Aqueous-acetone extraction was free from interference. DMSO should be avoided for pigment determination in Q. ilex leaves or when comparing different tree species.

  10. Relationships between changes in Holstein cow’s body condition, acetone and urea content in milk and cervical mucus and sperm survival

    OpenAIRE

    Jan Beran; Luděk Stádník; Jaromír Ducháček; Monika Okrouhlá

    2012-01-01

    The objectives of this study were to evaluate the relationship between changes in Holstein cow’s body condition score (BCS), acetone and urea content in the milk and cervical mucus (CM) and sperm survival in CM. At insemination, samples of milk and CM were collected from 64 Holstein cows. Content of acetone and urea were determined. Sperm motility was assessed subjectively at the beginning and after 30, 60 and 90 minutes of the short-term heat test in CM. Data about evaluation of cow’s BCS we...

  11. Solubility measurement and correlation of 4-nitrophthalimide in (methanol, ethanol, or acetone) + N,N-dimethylformamide mixed solvents at temperatures from 273.15 K to 323.15 K

    International Nuclear Information System (INIS)

    Li, Rongrong; Han, Shuo; Du, Cunbin; Cong, Yang; Wang, Jian; Zhao, Hongkun

    2016-01-01

    Highlights: • Solubility of 4-nitrophthalimide in binary mixed solvents were determined. • Solubility data were correlated and calculated by four models. • The standard dissolution enthalpy for the dissolution processes were calculated. - Abstract: The solubility of 4-nitrophthalimide in binary (methanol + N,N-dimethylformamide (DMF), ethanol + DMF) and (acetone + DMF) solvent mixtures were investigated by the isothermal dissolution equilibrium method under atmosphere pressure. These studies were carried out at different mass fractions of methanol, ethanol or acetone ranging from 0.1 to 0.9 at temperature T = (273.15–323.15) K. For the nine groups of each solvent mixture studied, the solubility of 4-nitrophthalimide in mixed solutions increased with increasing temperature and mass fraction of methanol, ethanol or acetone for the three systems including (methanol + DMF), (ethanol + DMF) and (acetone + DMF). At the same temperature and mass fraction of methanol, ethanol or acetone, the mole fraction solubility of 4-nitrophthalimide in (acetone + DMF) was greater than that in the other two binary solvents. In addition, the experimental mole fraction solubility was correlated by four models (Jouyban–Acree model, van’t Hoff–Jouyban–Acree model, modified Apelblat–Jouyban–Acree model and Sun model). The Jouyban–Acree model gave best representation for the experimental solubility values. Furthermore, the standard molar enthalpies of 4-nitrophthalimide during the dissolving process (Δ sol H o ) were also obtained in this work, and the results show that the dissolution process is endothermic. The experimental solubility and the models used in this work will be helpful in separating 4-nitrophthalimide from its isomeric mixtures.

  12. Vapor-liquid equilibria for the acetone-ethanol-n-propanol-tert-butanol-water system

    Energy Technology Data Exchange (ETDEWEB)

    Tochigi, K.; Uchida, K.; Kojima, K.

    1981-12-01

    This study deals with the measurement of vapor-liquid equilibria for the five-component system acetone-ethanol-n-propanol-tert-butanol-water at 760 mmHg and prediction of vapor-liquid equilibria by the ASOG group contribution method. The five-component system in this work is composed of a part of the components obtained during ethanol production by vapor-phase hydration of ethylene. 6 refs.

  13. Single-step synthesis of In{sub 2}O{sub 3} nanowires decorated with TeO{sub 2} nanobeads and their acetone-sensing properties

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sunghoon; Kheel, Hyejoon; Sun, Gun-Joo; Lee, Chongmu [Inha University, Department of Materials Science and Engineering, Incheon (Korea, Republic of); Park, Sang Eon [Inha University, Department of Chemistry, Incheon (Korea, Republic of)

    2016-04-15

    In{sub 2}O{sub 3} nanowires decorated with TeO{sub 2} nanobeads were synthesized by a facile single-step thermal evaporation process, and their acetone-gas-sensing properties were examined. The diameters and lengths of the In{sub 2}O{sub 3} nanowires ranged from 10 to 20 nm and up to 100 μm, respectively, whereas the diameters of the TeO{sub 2} beads ranged from 50 to 200 nm. The TeO{sub 2}-decorated In{sub 2}O{sub 3} nanowire sensor showed stronger response to acetone gas than the pristine In{sub 2}O{sub 3} nanowire sensor. The pristine and TeO{sub 2}-decorated In{sub 2}O{sub 3} nanowires exhibited sensitivity of ∝10.13 and ∝24.87, respectively, to 200 ppm acetone at 300 C. The decorated nanowire sensor also showed much more rapid response and recovery than the latter. Both sensors showed the strongest response to acetone gas at 300 C, respectively. The mechanism and origin of the enhanced acetone-gas-sensing performance of the TeO{sub 2}-decorated In{sub 2}O{sub 3} nanowire sensor compared to the pristine In{sub 2}O{sub 3} nanowire sensor were discussed in detail. The enhanced sensing performance of the TeO{sub 2}-decorated In{sub 2}O{sub 3} nanowire is mainly due to the modulation of the potential barrier height at the TeO{sub 2}-In{sub 2}O{sub 3} interface, high catalytic activity of TeO{sub 2,} and creation of active adsorption sites by incorporation of TeO{sub 2}. (orig.)

  14. A model to assess the feasibility of shifting reaction equilibrium by acetone removal in the transamination of ketones using 2-propylamine.

    Science.gov (United States)

    Tufvesson, Pär; Bach, Christian; Woodley, John M

    2014-02-01

    Acetone removal by evaporation has been proposed as a simple and cheap way to shift the equilibrium in the biocatalytic asymmetric synthesis of optically pure chiral amines, when 2-propylamine is used as the amine donor. However, dependent on the system properties, this may or may not be a suitable strategy. To avoid excessive laboratory work a model was used to assess the process feasibility. The results from the current study show that a simple model of the acetone removal dependence on temperature and sparging gas flowrate can be developed and fits the experimental data well. The model for acetone removal was then coupled to a simple model for biocatalyst kinetics and also for loss of substrate ketone by evaporation. The three models were used to simulate the effects of varying the critical process parameters and reaction equilibrium constants (K eq) as well as different substrate ketone volatilities (Henry's constant). The simulations were used to estimate the substrate losses and also the maximum yield that could be expected. The approach was seen to give a clear indication for which target amines the acetone evaporation strategy would be feasible and for which amines it would not. The study also shows the value of a modeling approach in conceptual process design prior to entering a biocatalyst screening or engineering program to assess the feasibility of a particular process strategy for a given target product. © 2013 Wiley Periodicals, Inc.

  15. Photostabilization of Rhodamine 6G in acetone by β-carotene and t-butyl hydroxyanisole

    OpenAIRE

    Aoki, Keisuke; Matsuda, Masahiro; Yamamoto, Daisuke; Abe, Yasuhiro; Akutsu, Shinya; Fujita, Koichi; Doi, Kazutaka; Kobayashi, Masami

    2011-01-01

    The photostability of Rhodamine 6G is of crucial importance for the organic light-emitting display of mobilephones. Photobleaching of Rhodamine 6G in acetone was not protected by β-carotene, but was efficientlyphotostabilized by t-butyl hydroxyanisole. The results indicate that photobleaching of Rhodamine 6G inacetone was not caused by singlet oxygen but some radical species.

  16. Screening of Methanol and Acetone Extracts of Fourteen Indian Medicinal Plants for Antimicrobial Activity

    OpenAIRE

    VAGHASIYA, Yogeshkumar; CHANDA, Sumitra V.

    2014-01-01

    The methanol and acetone extracts of 14 plants belonging to different families were evaluated for antimicrobial activity against five Gram-positive bacteria: Staphylococcus aureus, Staphylococcus epidermidis, Bacillus cereus, Bacillus subtilis, Micrococcus flavus; seven Gram-negative bacteria: Pseudomonas aeruginosa, Escherichia coli, Klebsiella pneumoniae, Proteus mirabilis, Proteus vulgaris, Salmonella typhimurium, Citrobacter freundii; and three fungi: Candida tropicalis, Cryptococcus lut...

  17. 1,1,2,2-Tetrakis(dimethylaminoethane-1,2-diium bis(tetraphenylborate acetone disolvate

    Directory of Open Access Journals (Sweden)

    Willi Kantlehner

    2012-05-01

    Full Text Available The title compound, C10H24N42+·2C24H20B−·2C3H6O, crystallizes with two acetone solvent molecules per asymmetric unit. In the dication, both amidinium units are twisted about the central C—C single bond by 63.8 (3° and the positive charges are delocalized over both N—C—N planes.

  18. Reaction Kinetics of Acetone Peroxide Formation and Structure Investigations Using Raman Spectroscopy and X-ray Diffraction

    DEFF Research Database (Denmark)

    Jensen, Lars; Mortensen, Peter Mølgaard; Trane, Rasmus

    2009-01-01

    functional theory (DFT)/Hartree-Fock approach. It was not possible from this to assess with certainty which intermediate products formed most extensively in an acetone/hydrogen peroxide mixture. However, it was concluded that the most likely reaction mixture is a mixture of the different intermediate...

  19. Anion exchange behavior of Ti, Zr, Hf, Nb and Ta as homologues of Rf and Db in mixed HF-acetone solutions

    International Nuclear Information System (INIS)

    Aksenov, N.V.; Bozhikov, G.A.; Starodub, G.Ya.; Dmitriev, S.N.; Filosofov, D.V.; Jon Sun Jin; Radchenko, V.I.; Lebedev, N.A.; Novgorodov, A.F.

    2009-01-01

    We studied in detail the sorption behavior of Ti, Zr, Hf, Nb and Ta on AG 1 anion exchange resin in HF-acetone mixed solutions as a function of organic cosolvent and acid concentrations. Anion exchange behavior was found to be strongly acetone concentration dependent. The distribution coefficients of Ti, Zr, Hf and Nb increased and those of Ta decreased with increasing content of acetone in HF solutions. With increasing HF concentration, anion exchange equilibrium analysis indicated the formation of fluoride complexes of group-4 elements with charge -3 and Ta with charge -2. For Nb the slope of -2 increased up to -5. Optimal conditions for separation of the elements using AIX chromatography were found. Group-4 elements formed MF 7 3- (M = Ti, Zr, Hf) complexes whose sorption decreased Ti > Hf > Zr in reverse order of complex stability. This fact is of particular interest for studying ion exchange behavior of Rf compared to Ti. The advantages of studying chemical properties of Rf and Db in aqueous HF solutions mixed with organic solvents are briefly discussed

  20. Recent trends in acetone, butanol, and ethanol (ABE production

    Directory of Open Access Journals (Sweden)

    Keikhosro Karim

    2015-12-01

    Full Text Available Among the renewable fuels considered as a suitable substitute to petroleum-based gasoline, butanol has attracted a great deal of attention due to its unique properties. Acetone, butanol, and ethanol (ABE can be produced biologically from different substrates, including sugars, starch, lignocelluloses, and algae. This process was among the very first biofuel production processes which was commercialized during the First World War. The present review paper discusses the different aspects of the ABE process and the recent progresses made. Moreover, the microorganisms and the biochemistry of the ABE fermentation as well as the feedstocks used are reviewed. Finally, the challenges faced such as low products concentration and products` inhibitory effects on the fermentation are explained and different possible solutions are presented and reviewed.

  1. Investigation of the acaricidal activity of the acetone and ethanol extracts of 12 South African plants against the adult ticks of Rhipicephalus turanicus

    Directory of Open Access Journals (Sweden)

    Gerda Fouche

    2017-11-01

    Full Text Available The acaricidal activity of acetone and ethanol extracts of 12 plant species was evaluated using the contact method on Rhipicephalus turanicus (Acari: Ixodidae ticks at an initial concentration of 20% (200 mg/mL. Eight of the 12 plants had mortality greater than 50% and the acetone extracts had better acaricidal activity than the ethanol extracts. The acetone extract of Calpurnia aurea (leaves and flowers had the highest corrected mortality (CM of 92.2% followed by Schkuhria pinnata (whole plant with a CM of 88.9%, Ficus sycomorus (bark and stems 86.7% and Senna italica subsp. arachoides (roots, leaves and fruits 83.3%. Selected extracts were tested at five different concentrations using the adult immersion test. From dose–response assays, EC50 values of 61.82 mg/mL, 115.21 mg/mL and 161.02 mg/mL were obtained for the acetone extracts of S. pinnata (whole plant, S. italica subsp. arachoides (roots, leaves and fruits and C. aurea (leaves and flowers respectively. The ethanol extract of Monsonia angustifolia (whole plant had the highest CM of 97.8% followed by S. pinnata (whole plant with a CM of 86.7%, C. aurea (leaves and flowers 81.1% and Cleome gynandra (leaves 77.8%. There is potential for the development of environmentally benign botanicals as natural acaricides against R. turanicus.

  2. Study of Physical Properties for Sodium acetate with Water and Water - Acetone mixtures at Different Temperatures

    Directory of Open Access Journals (Sweden)

    Ahmed Mohammed Abbas

    2017-02-01

    Full Text Available In this study binary and ternary solutions are prepared by using the sodium acetate concentrations (0.1, 0.125, 0.2, 0.25, 0.4, 0.5, 0.8, 1 M in water and acetone –water mixtures .The important parameters such as apparent molal volume, the partial molal volume transfer,  apparent  molal compressibility, free energy of activation of viscous flow and thermodynamic activation parameter (enthalpy and entropy determined of sodium acetate in water , 20%, 40% ,60% and 80% V/V acetone –water mixtures at 298.15K, 303.15K, and 308.15K from density and viscosity measurements espectively. The limiting apparent molal volumes and experimental slopes were derived from the Masson equation, have been interpreted in terms of solute–solvent and solute–solute interactions  respectively. The viscosity data were analyzed using theJones–Dole equation and the derived parameter B - coefficient has also been interpreted in terms of solute–solvent interactions in the solutions.

  3. High acetone-butanol-ethanol production in pH-stat co-feeding of acetate and glucose.

    Science.gov (United States)

    Gao, Ming; Tashiro, Yukihiro; Wang, Qunhui; Sakai, Kenji; Sonomoto, Kenji

    2016-08-01

    We previously reported the metabolic analysis of butanol and acetone production from exogenous acetate by (13)C tracer experiments (Gao et al., RSC Adv., 5, 8486-8495, 2015). To clarify the influence of acetate on acetone-butanol-ethanol (ABE) production, we first performed an enzyme assay in Clostridium saccharoperbutylacetonicum N1-4. Acetate addition was found to drastically increase the activities of key enzymes involved in the acetate uptake (phosphate acetyltransferase and CoA transferase), acetone formation (acetoacetate decarboxylase), and butanol formation (butanol dehydrogenase) pathways. Subsequently, supplementation of acetate during acidogenesis and early solventogenesis resulted in a significant increase in ABE production. To establish an efficient ABE production system using acetate as a co-substrate, several shot strategies were investigated in batch culture. Batch cultures with two substrate shots without pH control produced 14.20 g/L butanol and 23.27 g/L ABE with a maximum specific butanol production rate of 0.26 g/(g h). Furthermore, pH-controlled (at pH 5.5) batch cultures with two substrate shots resulted in not only improved acetate consumption but also a further increase in ABE production. Finally, we obtained 15.13 g/L butanol and 24.37 g/L ABE at the high specific butanol production rate of 0.34 g/(g h) using pH-stat co-feeding method. Thus, in this study, we established a high ABE production system using glucose and acetate as co-substrates in a pH-stat co-feeding system with C. saccharoperbutylacetonicum N1-4. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  4. The Influence of PEG400 and Acetone on Polysulfone Membrane Morphology and Fouling Behaviour

    Directory of Open Access Journals (Sweden)

    P.T.P. Aryanti

    2016-05-01

    Full Text Available Modification of polysulfone ultrafiltration membrane was conducted by blending polysulfone with PEG400 and acetone as additives. The influence of each additive on the resulted membrane morphology and fouling characteristics were investigated. The experimental results showed that the hydrophilicity of the polysulfone membrane was improved by the increase of PEG400 in the polysulfone membrane. The water contact angle of the membrane was decreased from 76.1° to 38.31° when 35 %wt of PEG400 was added into the polysulfone solution, while the water content of the membrane was increased by around 38%. The high concentration of PEG400 in the polysulfone solution led to the formation of longer finger-like cavities in the membrane structure and resulted in a thicker membrane skin layer. The high concentration of PEG400 also contributed to the increase in hydraulic resistance of the membrane due to organic matter fouling. This problem could be minimized by the addition of acetone into the polysulfone solution, which resulted in a lower fouling resistance of organic matter during up to five hours of peat water filtration.

  5. Two-stage pervaporation process for effective in situ removal acetone-butanol-ethanol from fermentation broth.

    Science.gov (United States)

    Cai, Di; Hu, Song; Miao, Qi; Chen, Changjing; Chen, Huidong; Zhang, Changwei; Li, Ping; Qin, Peiyong; Tan, Tianwei

    2017-01-01

    Two-stage pervaporation for ABE recovery from fermentation broth was studied to reduce the energy cost. The permeate after the first stage in situ pervaporation system was further used as the feedstock in the second stage of pervaporation unit using the same PDMS/PVDF membrane. A total 782.5g/L of ABE (304.56g/L of acetone, 451.98g/L of butanol and 25.97g/L of ethanol) was achieved in the second stage permeate, while the overall acetone, butanol and ethanol separation factors were: 70.7-89.73, 70.48-84.74 and 9.05-13.58, respectively. Furthermore, the theoretical evaporation energy requirement for ABE separation in the consolidate fermentation, which containing two-stage pervaporation and the following distillation process, was estimated less than ∼13.2MJ/kg-butanol. The required evaporation energy was only 36.7% of the energy content of butanol. The novel two-stage pervaporation process was effective in increasing ABE production and reducing energy consumption of the solvents separation system. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Efficient acetone sensor based on Ni-doped ZnO nanostructures prepared by spray pyrolysis technique

    Science.gov (United States)

    Darunkar, Swapnil S.; Acharya, Smita A.

    2018-05-01

    Ni-doped ZnO thin film was prepared by home-built spray pyrolysis unit for the detection of acetone at 300°C. Scanning electron microscopic (SEM) images of as-developed thin film of undoped ZnO exhibits large quantity of spherical, non-agglomerated particles with uniform size while in Ni-doped ZnO, particles are quite non-uniform in nature. The particle size estimated by using image J are obtained to be around 20-200 nm. Ni-doping effect on band gaps are determined by UV-vis optical spectroscopy and band gap of Ni-doped ZnO is found to be 3.046 eV. Nickel doping exceptionally enhances the sensing response of ZnO as compared to undoped ZnO system. The major role of the Ni-doping is to create more active sites for chemisorbed oxygen on the surface of sensor and correspondingly, to improve the sensing response. The 6 at.% of Ni-doped ZnO exhibits the highest response (92%) for 100 ppm acetone at 300 °C.

  7. (Vapour + liquid) equilibria for (2,2-dimethoxypropane + methanol) and (2,2-dimethoxypropane + acetone)

    International Nuclear Information System (INIS)

    Jiang Hui; Li Haoran; Wang Congmin; Tan Taijun; Han Shijun

    2003-01-01

    The isothermal and isobaric (vapour + liquid) equilibria for (2,2-dimethoxypropane + methanol) and (2,2-dimethoxypropane + acetone) measured with an inclined ebulliometer are presented. The experimental results are analysed using the UNIQUAC equation with the temperature-dependent binary parameters with satisfactory results. Isobaric (vapour + liquid) equilibria data for these systems at p=99.99 kPa are compared with the literature data. Experimental vapour pressure of 2,2-dimethoxypropane are also included

  8. High acetone concentrations throughout the 0-12 km altitude range over the tropical rainforest in Surinam

    NARCIS (Netherlands)

    Poschl, U; Williams, J; Hoor, P; Fischer, H; Crutzen, PJ; Warneke, C; Holzinger, R; Hansel, A; Jordan, A; Lindinger, W; Scheeren, HA; Peters, W; Lelieveld, J

    Airborne measurements of acetone were performed over the tropical rainforest in Surinam (2 degrees -7 degrees N, 54 degrees -58 degrees W, 0-12 km altitude) during the LBA-CLAIRE campaign in March 1998, using a novel proton transfer reaction mass spectrometer (PTR-MS) that enables the on-line

  9. Modification of an acetone-sodium dodecyl sulfate disruption method for cellular protein extraction from neuropathogenic Clostridium botulinum

    Science.gov (United States)

    An acetone-sodium dodecyl sulfate (SDS) disruption method was used for the extraction of cellular proteins from neurotoxigenic Clostridium botulinum. The amount of protein extracted per gram of dry weight and the protein profile as revealed by polyacrylamide gel electrophoresis (PAGE) was comparabl...

  10. Identification of the Regulator Gene Responsible for the Acetone-Responsive Expression of the Binuclear Iron Monooxygenase Gene Cluster in Mycobacteria ▿

    Science.gov (United States)

    Furuya, Toshiki; Hirose, Satomi; Semba, Hisashi; Kino, Kuniki

    2011-01-01

    The mimABCD gene cluster encodes the binuclear iron monooxygenase that oxidizes propane and phenol in Mycobacterium smegmatis strain MC2 155 and Mycobacterium goodii strain 12523. Interestingly, expression of the mimABCD gene cluster is induced by acetone. In this study, we investigated the regulator gene responsible for this acetone-responsive expression. In the genome sequence of M. smegmatis strain MC2 155, the mimABCD gene cluster is preceded by a gene designated mimR, which is divergently transcribed. Sequence analysis revealed that MimR exhibits amino acid similarity with the NtrC family of transcriptional activators, including AcxR and AcoR, which are involved in acetone and acetoin metabolism, respectively. Unexpectedly, many homologs of the mimR gene were also found in the sequenced genomes of actinomycetes. A plasmid carrying a transcriptional fusion of the intergenic region between the mimR and mimA genes with a promoterless green fluorescent protein (GFP) gene was constructed and introduced into M. smegmatis strain MC2 155. Using a GFP reporter system, we confirmed by deletion and complementation analyses that the mimR gene product is the positive regulator of the mimABCD gene cluster expression that is responsive to acetone. M. goodii strain 12523 also utilized the same regulatory system as M. smegmatis strain MC2 155. Although transcriptional activators of the NtrC family generally control transcription using the σ54 factor, a gene encoding the σ54 factor was absent from the genome sequence of M. smegmatis strain MC2 155. These results suggest the presence of a novel regulatory system in actinomycetes, including mycobacteria. PMID:21856847

  11. The Effect of Solvents, Acetone, Water, and Ethanol, on the Morphological and Optical Properties of ZnO Nanoparticles Prepared by Microwave

    Directory of Open Access Journals (Sweden)

    Phindile B. Khoza

    2012-01-01

    Full Text Available HDA-capped ZnO nanoparticles were prepared by solvothermal method using solvents of different polarities. A number of parameters were kept constant such as temperature, pressure, time, and pH while solvents were varied, that is, water, ethanol, and acetone. The TEM was used for the structural properties and morphologies such as spheres, mixture of rods, and spheres and stars were obtained in ethanol, acetone, and water, respectively, in a given reaction time of 15 minutes. Both ethanol and acetone gave rods with high aspect ratio primarily because of the lengths of the rods. Water and ethanol have the hydroxyl groups which interact with nanoparticles from nucleation, growth, and termination giving rise to nonspherical shapes. The hydroxyl group promotes growth in a nonuniform way resulting in stars and rods. The optical features were typical of ZnO nanoparticles with excitonic peaks in the range 368 to 374 nm from their absorption spectra. The XRD patterns of the particles gave the most stable form of ZnO which is the hexagonal phase, with high degree of crystallinity and with the 101 plane predominant in all solvents.

  12. Relationships among the cervical mucus urea and acetone, accuracy of insemination timing, and sperm survival in Holstein cows.

    Science.gov (United States)

    Beran, J; Stádník, L; Ducháček, J; Okrouhlá, M; Doležalová, M; Kadlecová, V; Ptáček, M

    2013-11-01

    The objectives of this study were to evaluate the relationships among urea and acetone content in cows' cervical mucus (CM), its crystallization type (CT) and sperm survival (SS) after timed AI. Samples of CM were collected from 192 Holstein cows treated by Ovsynch(®) protocol. Analysis of the urea and acetone content for identification of the metabolic status, the arborization test for evaluation of insemination timing and the short-term heat test of SS for assessment of its suitability as a biological matrix were performed. The data set was analyzed by the GLM procedure using SAS(®). The results documented the existence of substantial differences in individual response to the Ovsynch(®) protocol causing insemination of 55.2% cows at an inappropriate time. The urea content was found as a possible indicator of a cow's metabolism and/or of insemination timing, concentrations of less than 500 mg/L corresponded (Pacetone content on SS were determined. The greatest values of SS were detected in cows with an expected response to precisely timed oestrus documented by the corresponding CT. Greater values of urea (>260 mg/L) and acetone (>5mg/L) negatively affected SS as well (P<0.05-0.01). The results confirmed that the accuracy of insemination timing can be affected by the metabolism intensity, just as CM quality directly influences sperm survival. Copyright © 2013 Elsevier B.V. All rights reserved.

  13. The Acetone Extract of Sclerocarya birrea (Anacardiaceae) Possesses Antiproliferative and Apoptotic Potential against Human Breast Cancer Cell Lines (MCF-7)

    Science.gov (United States)

    Tanih, Nicoline Fri; Ndip, Roland Ndip

    2013-01-01

    Interesting antimicrobial data from the stem bark of Sclerocarya birrea, which support its use in traditional medicine for the treatment of many diseases, have been delineated. The current study was aimed to further study some pharmacological and toxicological properties of the plant to scientifically justify its use. Anticancer activity of water and acetone extracts of S. birrea was evaluated on three different cell lines, HT-29, HeLa, and MCF-7 using the cell titre blue viability assay in 96-well plates. Apoptosis was evaluated using the acridine orange and propidium iodide staining method, while morphological structure of treated cells was examined using SEM. The acetone extract exhibited remarkable antiproliferative activities on MCF-7 cell lines at dose- and time-dependent manners (24 h and 48 h of incubation). The extract also exerted apoptotic programmed cell death in MCF-7 cells with significant effect on the DNA. Morphological examination also displayed apoptotic characteristics in the treated cells, including clumping, condensation, and culminating to budding of the cells to produce membrane-bound fragmentation, as well as formation of apoptotic bodies. The acetone extract of S. birrea possesses antiproliferative and apoptotic potential against MCF-7-treated cells and could be further exploited as a potential lead in anticancer therapy. PMID:23576913

  14. Optimization of Firing Temperature of PbO-doped SnO2 Sensor for Detection of Acetone, Methanol, Propanol

    Directory of Open Access Journals (Sweden)

    J. K. Srivastava

    2009-08-01

    Full Text Available In the present work, the response of a set of three PbO (1 % wt doped thick film SnO2 sensors fired at different firing temperatures (6500 C, 7500 C, 8500 C have been studied. The selection of appropriate firing temperature is necessary for the sensor fabrication in order to achieve the highest sensitivity for a particular species of gas. To achieve this, thick film PbO-doped sensor were fabricated on a 1˝x1˝ alumina substrate. The sensitivity of these sensors has been studied at different operating temperatures (1500 C-3500 C upon exposure to acetone, methanol and propanol. The sensor fired at 8500 C besides having good adhesion yields maximum sensitivity at an operating temperature of 2500 C for all gases except acetone for which it gives maximum response at 2000 C.

  15. System-level modeling of acetone-butanol-ethanol fermentation.

    Science.gov (United States)

    Liao, Chen; Seo, Seung-Oh; Lu, Ting

    2016-05-01

    Acetone-butanol-ethanol (ABE) fermentation is a metabolic process of clostridia that produces bio-based solvents including butanol. It is enabled by an underlying metabolic reaction network and modulated by cellular gene regulation and environmental cues. Mathematical modeling has served as a valuable strategy to facilitate the understanding, characterization and optimization of this process. In this review, we highlight recent advances in system-level, quantitative modeling of ABE fermentation. We begin with an overview of integrative processes underlying the fermentation. Next we survey modeling efforts including early simple models, models with a systematic metabolic description, and those incorporating metabolism through simple gene regulation. Particular focus is given to a recent system-level model that integrates the metabolic reactions, gene regulation and environmental cues. We conclude by discussing the remaining challenges and future directions towards predictive understanding of ABE fermentation. © FEMS 2016. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  16. Spray deposited gallium doped tin oxide thinfilm for acetone sensor application

    Science.gov (United States)

    Preethi, M. S.; Bharath, S. P.; Bangera, Kasturi V.

    2018-04-01

    Undoped and gallium doped (1 at.%, 2 at.% and 3 at.%) tin oxide thin films were prepared using spray pyrolysis technique by optimising the deposition conditions such as precursor concentration, substrate temperature and spraying rate. X-ray diffraction analysis revealed formation of tetragonally structured polycrystalline films. The SEM micrographs of Ga doped films showed microstructures. The electrical resistivity of the doped films was found to be more than that of the undoped films. The Ga-doped tin oxide thin films were characterised for gas sensors. 1 at.% Ga doped thin films were found to be better acetone gas sensor, showed 68% sensitivity at 350°C temperature.

  17. Partial substitution of manganese with cerium in SrMnO_3 nano-perovskite catalyst. Effect of the modification on the catalytic combustion of dilute acetone

    International Nuclear Information System (INIS)

    Rezlescu, Nicolae; Rezlescu, Elena; Popa, Paul Dorin; Doroftei, Corneliu; Ignat, Maria

    2016-01-01

    Ultrafine SrMn_1_−_xCe_xO_3 (x = 0, 02) perovskites were prepared by self-combustion method and heat treatment at 1000 °C for 4 h. The structure and surface properties were investigated by X-ray powder diffraction, scanning electron microscopy (SEM), EDX spectroscopy, and BET analysis. The catalyst properties of the perovskite nanopowders were tested in the catalytic combustion of dilute acetone at atmospheric pressure. The results revealed that the partial substitution of Mn by Ce ions (x = 0.2) in perovskite structure of SrMnO_3 had significantly improved catalytic activity of the perovskite. The SrMn_0_._8Ce_0_,_2O_3 perovskite composition can be a good candidate for catalytic combustion of low concentration acetone (1–2‰ in air) at low temperatures. The acetone conversion over this catalyst exceeds 90% at 200 °C, whereas over SrMnO_3 it is only 50%. Compared with SrMnO_3, T_5_0 is decreased by 75 °C and T_9_0 is decreased by 70 °C. The enhancement of the catalytic activity at a Ce doping of 0.2 may be ascribed to smaller crystallite sizes, larger specific surface area and the presence of Ce and Mn cations with variable valence in the perovskite structure. - Highlights: • A non-conventional method was used to make nanostructured perovskite samples. • XRD study confirms perovskite structure and nanosize of crystallites. • EDX analyses confirm homogeneity and purity of the samples. • The catalytic testing was carried out in the flameless combustion of dilute acetone. • SrMn_0_._8Ce_0_._2O_3 perovskite can be a promising catalyst for acetone combustion at low temperature.

  18. Roughness and compressive strength of FDM 3D printed specimens affected by acetone vapour treatment

    Science.gov (United States)

    Beniak, Juraj; Križan, Peter; Šooš, Ľubomír; Matúš, Miloš

    2018-01-01

    Rapid Prototyping technologies are the fastest growing technologies in the manufacturing of components and parts. There are many techniques which can be used with different materials and different purposes of produced part. Gradually, Rapid Prototyping systems have grown into Additive Manufacturing, because technology expansion brings faster production, improved manufactured components, and expanded palette of used materials. So now this techniques are also used for regular production of special parts, where is usual change of part design, where is necessary to produce variety of different designs and shapes. The following article deals with Fused Deposition Modelling (FDM) technology, the core of which is the manufacture models and components from thermoplastic polymers by deposition single fibres of semi-molten plastic material layer by layer. The article focuses on the results of research for testing of manufactured specimens by FDM technology. Components are modified by acetone vapour for surface smoothing. The purpose is to point out how the additional specimen treatment influence the strength properties. Presented paper shows realized experiments and measurements of compressive force on specimens and surface roughness which are influenced by acetone vapour treatment.

  19. Effect of Various Catalysts on the Stability of Characteristics of Acetone Sensors Based on Thin Nanocrystalline SnO2 Films

    Science.gov (United States)

    Sevastyanov, E. Yu.; Maksimova, N. K.; Potekaev, A. I.; Khludkova, L. S.; Chernikov, E. V.; Davydova, T. A.

    2018-02-01

    The results of studies of electrical and gas sensitive characteristics of acetone sensors based on thin nanocrystalline SnO2 films with various catalysts deposited on the surface (Pt/Pd, Au) and introduced into the volume (Au, Ni, Co) are presented. Films containing impurities of gold and 3d-metals were obtained by the method of magnetron sputtering of mosaic targets. Particular attention was paid to the influence of the longterm tests and humidity level on the properties of sensors. It is shown that the sensors with the deposited dispersed gold layers with Au+Ni and, especially, Au+Co additives introduced into the volume are characterized by the increased stability in the process of testing under prolonged exposure to acetone and also under conditions of varying humidity.

  20. The reduction of sulfate ions in Musashino woody lignite and in acetone-furfural resin

    Energy Technology Data Exchange (ETDEWEB)

    Kimura, T.

    1986-01-01

    By adding a barium chloride solution to sulfur-containing woody lignite kept in water for two years, it has been confirmed that large quantities of sulfate ions are adsorbed by the lignite. Furthermore, spectroscopic measurements have confirmed the reduction of sulfate ions in an acetone-furfural resin prepared with residual sulfuric acid. These experimental results suggest the possibility of reducing sulfate ions in coal in the absence of sulfate bacteria. 2 refs.

  1. Simultaneous determination of bromide and iodide as acetone derivatives by gas chromatography and electron capture detection in natural waters and biological fluids

    International Nuclear Information System (INIS)

    Maros, L.; Kaldy, M.; Igaz, S.

    1989-01-01

    Oxidation of bromide and iodide ions in acidic solutions in the presence of acetone forms the corresponding acetone derivatives. Iodate was reduced with thiosulfate prior to the determination. After extraction with benzene the bromo- and iodoacetone were measured by gas chromatography using electron capture detection. The bromide and iodide contents of rainwater, drinking water, river water, seawater, oil brine, common salt, cow milk, and human blood serum were determined. The relative standard deviations for bromide at 10/sup /minus/7/ M and for iodide at 10/sup /minus/8/ M concentration were 1.9% and 3.0%, respectively, using 10-mL sample for the determination without preconcentration

  2. Investigation of acetone, butanol and carbon dioxide as new breath biomarkers for convenient and noninvasive diagnosis of obstructive sleep apnea syndrome.

    Science.gov (United States)

    Bayrakli, Ismail; Öztürk, Önder; Akman, Hatice

    2016-12-01

    The objective of the present study was to investigate whether analysis of carbon dioxide, acetone and/or butanol present in human breath can be used as a simple and noninvasive diagnosis method for obstructive sleep apnea syndrome (OSAS). For this purpose, overnight changes in the concentrations of these breath molecules were measured before and after sleep in 10 patients who underwent polysomnography and were diagnosed with OSAS, and were compared with the levels of these biomarkers determined after sleep in 10 healthy subjects. The concentrations of exhaled carbon dioxide were measured using external cavity laser-based off-axis cavity enhanced absorption spectroscopy, whereas the levels of exhaled acetone and butanol were determined using thermal desorption gas chromatography mass spectrometry. We observed no significant changes in the levels of exhaled acetone and carbon dioxide in OSAS patients after sleep compared with pre-sleep values and compared with those in healthy control subjects. However, for the first time, to our knowledge, analyses of expired air showed an increased concentration of butanol after sleep compared with that before sleep and compared with that in healthy subjects. These results suggest that butanol can be established as a potential biomarker to enable the convenient and noninvasive diagnosis of OSAS in the future. Copyright © 2016 John Wiley & Sons, Ltd.

  3. Au-modified three-dimensional In₂O₃ inverse opals: synthesis and improved performance for acetone sensing toward diagnosis of diabetes.

    Science.gov (United States)

    Xing, Ruiqing; Li, Qingling; Xia, Lei; Song, Jian; Xu, Lin; Zhang, Jiahuan; Xie, Yi; Song, Hongwei

    2015-08-14

    Analyzing the volatile organic compounds (VOCs) in exhaled breath effectively is crucial to medical treatment, which can provide a fast and noninvasive way to diagnose disease. Well-designed materials with controlled structures have great influence on the sensing performance. In this work, the ordered three dimensional inverse opal (3DIO) macroporous In2O3 films with additional via-hole architectures were fabricated and different amounts of gold nanoparticles (Au NPs) were loaded on the In2O3 films aiming at enhancing their electrical responses. The gas sensing to acetone toward diabetes diagnosis in exhaled breath was performed with different Au/In2O3 electrodes. Representatively, the best 3DIO Au/In2O3 sensor can detect acetone effectively at 340 °C with response of 42.4 to 5 ppm, the actual detection limit is as low as 20 ppb, and it holds a dynamic response of 11 s and a good selectivity. Moreover, clinical tests proved that the as-prepared 3DIO Au/In2O3 IO sensor could distinguish acetone biomarkers in human breath clearly. The excellent gas sensing properties of the Au/In2O3 electrodes were attributed to the "spillover effects" between Au and In2O3 and the special 3DIO structure. This work indicates that 3DIO Au/In2O3 composite is a promising electrode material for actual application in the monitoring and detection of diabetes through exhaled breath.

  4. Thermodynamic study of the solubility of ibuprofen in acetone and dichloromethane

    Directory of Open Access Journals (Sweden)

    Diana Marcela Aragón

    2010-06-01

    Full Text Available Thermodynamic functions, Gibbs energy, enthalpy and entropy for the solution processes of ibuprofen (IBP in acetone and dichloromethane (DCM were calculated from solubility values obtained at temperatures ranging from 293.15 K to 313.15 K. The respective thermodynamic functions for mixing and solvation processes as well as the activity coefficients for the solute were calculated. IBP solubility was high and proved similar in both solvents but was greater in DCM than acetone. In addition, the thermodynamic quantities for the transfer process of this drug from cyclohexane to the organic solvents were also calculated in order to estimate the contributions of hydrogen-bonds or of other dipolar interactions. The results were discussed in terms of solute-solvent interactions.As funções termodinâmicas, energia de Gibbs, entalpia e entropia dos processos de solução de ibuprofeno (IBP em acetona e em diclorometano (DCM foram calculadas a partir dos valores de solubilidade, obtidos em intervalos de temperatura de 293,15 K a 313,15 K. As funções termodinâmicas respectivas para os processos de mistura e solvatação e os coeficientes de atividade para o soluto também foram calculados. A solubilidade do IBP foi grande e semelhante em ambos os solventes, mas, maior em DCM do que em acetona. Em adição, as quantidades termodinâmicas relativas ao processo de transferência desse fármaco do cicloexano para os solventes orgânicos foram, também, calculadas com o objetivo de estimar as contribuições devidas às ligações de hidrogênio ou a outras interações dipolares. Os resultados foram discutidos nos termos das interações soluto-solvente.

  5. Partial substitution of manganese with cerium in SrMnO{sub 3} nano-perovskite catalyst. Effect of the modification on the catalytic combustion of dilute acetone

    Energy Technology Data Exchange (ETDEWEB)

    Rezlescu, Nicolae, E-mail: nicolae.rezlescu@gmail.com [National Institute of Research and Development for Technical Physics, Iasi (Romania); Rezlescu, Elena; Popa, Paul Dorin; Doroftei, Corneliu [National Institute of Research and Development for Technical Physics, Iasi (Romania); Ignat, Maria [“Al. I. Cuza” University, Faculty of Chemistry, Iasi (Romania)

    2016-10-01

    Ultrafine SrMn{sub 1−x}Ce{sub x}O{sub 3} (x = 0, 02) perovskites were prepared by self-combustion method and heat treatment at 1000 °C for 4 h. The structure and surface properties were investigated by X-ray powder diffraction, scanning electron microscopy (SEM), EDX spectroscopy, and BET analysis. The catalyst properties of the perovskite nanopowders were tested in the catalytic combustion of dilute acetone at atmospheric pressure. The results revealed that the partial substitution of Mn by Ce ions (x = 0.2) in perovskite structure of SrMnO{sub 3} had significantly improved catalytic activity of the perovskite. The SrMn{sub 0.8}Ce{sub 0,2}O{sub 3} perovskite composition can be a good candidate for catalytic combustion of low concentration acetone (1–2‰ in air) at low temperatures. The acetone conversion over this catalyst exceeds 90% at 200 °C, whereas over SrMnO{sub 3} it is only 50%. Compared with SrMnO{sub 3}, T{sub 50} is decreased by 75 °C and T{sub 90} is decreased by 70 °C. The enhancement of the catalytic activity at a Ce doping of 0.2 may be ascribed to smaller crystallite sizes, larger specific surface area and the presence of Ce and Mn cations with variable valence in the perovskite structure. - Highlights: • A non-conventional method was used to make nanostructured perovskite samples. • XRD study confirms perovskite structure and nanosize of crystallites. • EDX analyses confirm homogeneity and purity of the samples. • The catalytic testing was carried out in the flameless combustion of dilute acetone. • SrMn{sub 0.8}Ce{sub 0.2}O{sub 3} perovskite can be a promising catalyst for acetone combustion at low temperature.

  6. A vacuum ultraviolet photoionization mass spectrometric study of acetone.

    Science.gov (United States)

    Wei, Lixia; Yang, Bin; Yang, Rui; Huang, Chaoqun; Wang, Jing; Shan, Xiaobin; Sheng, Liusi; Zhang, Yunwu; Qi, Fei; Lam, Chow-Shing; Li, Wai-Kee

    2005-05-19

    The photoionization and dissociative photoionization of acetone have been studied at the photon energy range of 8-20 eV. Photoionization efficiency spectra for ions CH3COCH3+, CH3+, C2H3+, C3H3+, C3H5+, CH(2-)CO+, CH3CO+, C3H4O+, and CH3COCH2+ have been measured. In addition, the energetics of the dissociative photoionization has been examined by ab initio Gaussian-3 (G3) calculations. The computational results are useful in establishing the dissociation channels near the ionization thresholds. With the help of G3 results, the dissociation channels for the formation of the fragment ions CH3CO+, CH2CO+, CH3+, C3H3+, and CH3COCH2+ have been established. The G3 results are in fair to excellent agreement with the experimental data.

  7. N,N,N′,N′-Tetramethyl-N′′-[2-(trimethylazaniumylethyl]guanidinium bis(tetraphenylborate acetone disolvate

    Directory of Open Access Journals (Sweden)

    Ioannis Tiritiris

    2016-02-01

    Full Text Available The asymmetric unit of the title solvated salt, C10H26N42+·2C24H20B−·2C3H6O, comprises one cation, two tetraphenylborate ions and two acetone solvent molecules. The N and methyl C atoms of the terminal trimethylammonium group are disordered over two sets of sites, with a refined occupancy ratio of 0.846 (3:0.154 (3. The C—N bond lengths in the central C3N unit of the guanidinium ion range between 1.3308 (16 and 1.3508 (16 Å, indicating a degree of double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN3 plane. The C—N bond lengths in the terminal trimethylammonium group have values close to that of a typical single bond, and the second positive charge is localized there. In the crystal, the guanidinium ion is connected by N—H...O and C—H...O hydrogen bonds with the acetone molecules. C—H...π interactions are present between the guanidinium H atoms and the phenyl rings of the tetraphenylborate ions, leading to the formation of a two-dimensional supramolecular pattern along the bc plane.

  8. Gas sensing behaviour of Cr{sub 2}O{sub 3} and W{sup 6+}: Cr{sub 2}O{sub 3} nanoparticles towards acetone

    Energy Technology Data Exchange (ETDEWEB)

    Kohli, Nipin, E-mail: nipinkohli82@yahoo.com; Hastir, Anita; Singh, Ravi Chand [Department of Physics, Guru Nanak Dev University, Amritsar-143005 (India)

    2016-05-23

    This paper reports the acetone gas sensing properties of Cr{sub 2}O{sub 3} and 2% W{sup 6+} doped Cr{sub 2}O{sub 3} nanoparticles. The simple cost-effective hydrolysis assisted co-precipitation method was adopted. Synthesized samples were characterized by X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM) techniques. XRD revealed that synthesized nanoparticles have corundum structure. The lattice parameters have been calculated by Rietveld refinement; and strain and crystallite size have been calculated by using the Williamson-Hall plots. For acetone gas sensing properties, the nanoparticles were applied as thick film onto alumina substrate and tested at different operating temperatures. The results showed that the optimum operating temperature of both the gas sensors is 250°C. At optimum operating temperature, the response of Cr{sub 2}O{sub 3} and 2% W{sup 6+} doped Cr{sub 2}O{sub 3} gas sensor towards 100 ppm acetone was found to be 25.5 and 35.6 respectively. The investigations revealed that the addition of W{sup 6+} as a dopant enhanced the sensing response of Cr{sub 2}O{sub 3} nanoparticles appreciably.

  9. In vivo toxicity evaluation of aqueous acetone extract of Terminalia bellirica (Gaertn.) Roxb. fruit.

    Science.gov (United States)

    Jayesh, Kuriakose; Helen, Lal Raisa; Vysakh, A; Binil, Eldhose; Latha, M S

    2017-06-01

    Terminalia bellirica (Gaertn.) Roxb. (Family: Combretaceae), known as Bhibhitaki in Sanskrit and locally known as Behera in India is one of the oldest medicinal plants which has widely been used in the traditional system of medicine, especially in Ayurveda for centuries. The dried fruit of Terminalia bellirica is used for treating various ailments. Aqueous acetone extract of Terminalia bellirica (Gaertn.) Roxb fruits (AATB), showed antioxidant potential in our screening study is selected for the present in vivo toxicity evaluation. Acute administration of AATB was done in female Wistar Albino rats as a single dose up to 2000 mg/kg body weight. At the end of the study, Blood was collected for biochemical and hematological analyses, while histological examinations were performed on liver and kidney. There was no alteration in the behavioral pattern, food and water intake in the treated animals. The relative organ weight, biochemical parameters, hematological parameters and histopathological analysis were also found normal. All the parameters of the toxicity evaluation were found to be normal and the data suggests aqueous acetone extract of Terminalia bellirica fruit is safe, to be used as a traditional herbal formulation for its antioxidant potential and other health benefits. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. Biofiltration of Air/Styrene and Air/Styrene/Acetone mixtures in a bubble column reactor

    OpenAIRE

    Vieira, Ana

    2009-01-01

    The goal of this work was the treatment of polluted waste gases in a bubble column reactor (BCR), in order to determinate the maximum value of reactor’s efficiency (RE), varying the inlet concentration (C in) of the pollutants. The gaseous mixtures studied were: (i) air with styrene and (ii) air with styrene and acetone. The liquid phase used to contain the biomass in the reactor was a basal salt medium (BSM), fundamental for the microorganisms’ development. The reactor used in this pro...

  11. Effect of the design variables on the energy performance and size parameters of a heat transformer based on the system acetone/H[sub 2]/2-propanol

    Energy Technology Data Exchange (ETDEWEB)

    Gandia, L M; Montes, M [Ente Vasco de la Energia, Bilbao (Spain). Div. de Investigacion y Recursos

    1992-12-01

    A high-temperature chemical heat pump based on the system acetone/H[sub 2]/2-propanol for waste heat recovery was studied. Two reversible catalytic chemical reactions are involved in this system. The waste heat (at 333-353K) is recovered by means of the endothermic liquid-phase dehydrogenation of 2-propanol, and is upgraded at high temperature (453-473K) by the reverse reaction, the exothermic gaseous-phase hydrogenation of acetone. In this process, a fraction of the recovered waste heat is removed at low temperature (303K), to carry out the separation by vapour rectification between acetone and 2-propanol. A mathematical model was developed, that permits the study of the effect of the heat pump operating conditions on the coefficient of performance (COP), exergetic efficiency and size parameters. This model allows the optimal range for the system control variables to be estimated. Under these conditions, the energy and size parameters have been calculated on a basis of 0.32 MW upgraded heat. (author)

  12. (Acetylacetonato-κ2O,O′carbonyl[tris(naphthalen-1-ylphosphane-κP]rhodium(I acetone hemisolvate

    Directory of Open Access Journals (Sweden)

    Hezron Ogutu

    2012-04-01

    Full Text Available The title compound, [Rh(C5H7O2(C30H21P(CO]·0.5C3H6O, has two different complex molecules in the asymmetric unit, with the RhI atoms in slightly distorted square-planar coordination environments. The molecules are packed as two monomeric molecules with one acetone solvent molecule sitting at the centre.

  13. The Effect of Novolac and Graphite Polycrystal on the Acetone Penetration and Thermal Resistance of Nanocomposites Based on Nitrile Rubber

    Directory of Open Access Journals (Sweden)

    Rasool Mahboudi

    2015-03-01

    Full Text Available Developments of high diffusive environments in coincidence with emerging fluids with strong ability to destroy polymeric systems have resulted in rapid deformation and destruction of polymeric parts when in contact with such aggressive environments. Therefore, nowadays, there is a great need to develop highly resistant materials towards aggressive chemicals and harsh conditions. In this paper the effect of graphite polycrystal powders and novolac type phenolic resin has been experimentally studied towards acetone diffusion and thermal stability of polyacrylonitrile butadiene rubber/novolac/graphite polycrystal nanocomposites. The results obtained from dynamic mechanical thermal analysis (DMTA and swelling in acetone showed that after 32 h samples reached to 94.2% of final swelling state. By using Avrami equation and swelling experimental data, the functionality of Ln(m/m0 to novolac and graphite polycrystal weight fraction and test duration time were evaluated. This theoretical equation evaluated and predicted the amount of Ln(m/m0 with 5.92% error after 32 h. Increases in graphite polycrystal content were followed by decreases in diffusion of acetone and modulus, before glass transition temperature, and increased thermal stability and thermal resistance of the nanocomposites. Increases in novolac content by 35 wt%, decreased glass transition temperature, thermal stability and thermal resistance of the nanocomposites. In nanocomposite, containing 45 wt% of novolac, dynamic mechanical thermal analysis (DMTA data and scanning electron microscope (SEM images showed phase separation of thermoset and elastomer in the nanocomposite blend.

  14. Comparison of breath gases, including acetone, with blood glucose and blood ketones in children and adolescents with type 1 diabetes.

    Science.gov (United States)

    Blaikie, Tom P J; Edge, Julie A; Hancock, Gus; Lunn, Daniel; Megson, Clare; Peverall, Rob; Richmond, Graham; Ritchie, Grant A D; Taylor, David

    2014-11-25

    Previous studies have suggested that breath gases may be related to simultaneous blood glucose and blood ketone levels in adults with type 2 and type 1 diabetes. The aims of this study were to investigate these relationships in children and young people with type 1 diabetes in order to assess the efficacy of a simple breath test as a non-invasive means of diabetes management. Gases were collected in breath bags and measurements were compared with capillary blood glucose and ketone levels taken at the same time on a single visit to a routine hospital clinic in 113 subjects (59 male, age 7 years 11 months-18 years 3 months) with type 1 diabetes. The patients were well-controlled with relatively low concentrations of the blood ketone measured (β hydroxybutyrate, 0-0.4 mmol l(-1)). Breath acetone levels were found to increase with blood β hydroxybutyrate levels and a significant relationship was found between the two (Spearman's rank correlation ρ = 0.364, p acetone (ρ = 0.16, p = 0.1), but led to the conclusion that single breath measurements of acetone do not provide a good measure of blood glucose levels in this cohort. This result suggests a potential to develop breath gas analysis to provide an alternative to blood testing for ketone measurement, for example to assist with the management of type 1 diabetes.

  15. Determination of acetone and methyl ethyl ketone in water

    Science.gov (United States)

    Tai, D.Y.

    1978-01-01

    Analytical procedures for the determination of acetone and methyl ethyl ketone in water samples were developed. Concentrations in the milligram-per-liter range were determined by injecting an aqueous sample into the analysis system through an injection port, trapping the organics on Tenax-GC at room temperature, and thermally desorbing the organics into a gas chromatograph with a flame ionization detector for analysis. Concentrations in the microgram-per-liter range were determined by sweeping the headspace vapors over a water sample at 50C, trapping on Tenax-GC, and thermally desorbing the organics into the gas chromatograph. The precision for two operators of the milligram-per-liter concentration procedure, expressed as the coefficient of variation, was generally less than 2 percent for concentrations ranging from 16 to 160 milligrams per liter. The precision from two operators of the microgram-per-liter concentration procedure was between 2 and 4 percent for concentrations of 20 and 60 micrograms per liter. (Woodard-USGS)

  16. Application of linear Raman spectroscopy for the determination of acetone decomposition.

    Science.gov (United States)

    Eichmann, Simone Christine; Trost, Johannes; Seeger, Thomas; Zigan, Lars; Leipertz, Alfred

    2011-06-06

    Acetone (CH3)2CO is a common tracer for laser-induced fluorescence (LIF) to investigate mixture formation processes and temperature fields in combustion applications. Since the fluorescence signal is a function of temperature and pressure, calibration measurements in high pressure and high temperature cells are necessary. However, there is a lack of reliable data of tracer stability at these harsh conditions for technical application. A new method based on the effect of spontaneous Raman scattering is proposed to analyze the thermal stability of the tracer directly in the LIF calibration cell. This is done by analyzing the gas composition regarding educts and products of the reaction. First measurements at IC engine relevant conditions up to 750 K and 30 bar are presented.

  17. Properties of a-C:H:O plasma polymer films deposited from acetone vapors

    Energy Technology Data Exchange (ETDEWEB)

    Drabik, M., E-mail: martin.drabik@gmail.com [Empa, Swiss Federal Laboratories for Materials Science and Technology, Lerchenfeldstrasse 5, 9014 St. Gallen (Switzerland); Celma, C. [Empa, Swiss Federal Laboratories for Materials Science and Technology, Lerchenfeldstrasse 5, 9014 St. Gallen (Switzerland); Kousal, J.; Biederman, H. [Charles University in Prague, Faculty of Mathematics and Physics, Department of Macromolecular Physics, V Holešovičkách 2, 180 00 Prague 8 (Czech Republic); Hegemann, D. [Empa, Swiss Federal Laboratories for Materials Science and Technology, Lerchenfeldstrasse 5, 9014 St. Gallen (Switzerland)

    2014-12-31

    To gain insight into the deposition and stability of oxygen-containing plasma polymer films, the properties of amorphous oxygenated hydrocarbon (a-C:H:O) plasma polymer coatings deposited from acetone vapors under various experimental conditions are investigated. Apart from the discharge power, the influence of the reactive carbon dioxide (CO{sub 2}) gas on the structure of the resulting films is studied. It is found by characterization using X-ray Photoelectron Spectroscopy and Fourier-Transform Infrared Spectroscopy that the experimental conditions particularly influence the amount of oxygen in the deposited a-C:H:O plasma polymer films. The O/C elemental ratio increases with increasing amount of CO{sub 2} in the working gas mixture (up to 0.2 for 24 sccm of CO{sub 2} at 30 W) and decreases with increasing RF discharge power (down to 0.17 for 50 W). Furthermore, the nature of bonds between the oxygen and carbon atoms has been examined. Only low amounts of double and triple bonded carbon are observed. This has a particular influence on the aging of the plasma polymer films which is studied both in ambient air and in distilled water for up to 4 months. Overall, stable a-C:H:O plasma polymer films are deposited comprising low amounts (up to about 5%) of ester/carboxyl groups. - Highlights: • Hydrocarbon plasma polymer films with variable oxygen content can be prepared. • Stable oxygenated hydrocarbon plasma polymers contain max 5% of ester/carboxyl groups. • Acetone-derived plasma polymer films can be used as permanent hydrophilic surfaces.

  18. Selecting ethanol as an ideal organic solvent probe in radiation chemistry γ-radiolysis of acetone-ethanol system and acetophenone-ethanol system

    International Nuclear Information System (INIS)

    Jin Haofang; Wu Jilan; Fang Xingwang; Zhang Xujia

    1995-01-01

    Radiolysis of acetone-ethanol solution and acetophenone-ethanol solution has been studied in this work. The dependences of G values of the final γ radiolysis products such as H 2 . 2,3-butanediol and acetaldehyde on additive concentration in liquid ethanol have been obtained. There are two kinds of new final products, isopropanol and 2-methyl-2,3-butanediol are detected in irradiated acetone-ethanol solution. As for acetophenone-ethanol system, more new final products are found. In addition, experiments of pulse radiolysis upon acetophenone-ethanol solution have also been performed. The absorption spectrum with λ max at 315nm and 440nm is observed, which is assigned to ketyl radical ion C 6 H 5 (CH 3 )CO - . And the reaction mechanism of the two systems is proposed respectively with a moderate success. (author)

  19. Lanthanum benzoyl acetonates: an IR and mass spectrometric study of the composition and structure

    International Nuclear Information System (INIS)

    Kostyuk, N.N.; Dik, T.A.; Tereshko, N.V.

    2005-01-01

    IR spectroscopy and mass spectrometry were used to study the structure of lanthanum chelates of benzoyl acetone (1-phenyl-1,3-butadione, HBA) of the following compositions: La(BA) 3 · EtOH, La(BA) 2 , La(BA) 2 · CH 3 CN, and La(BA) 2 · HDA, where EtOH = ethanol, HDA = nonadecanoic acid. It is demonstrated that a quasi-aromatic metalloring is formed in lanthanum chelates studied. Stable metal-containing fragments of the molecular ions of lanthanum bis- and tris-benzoylacetonate were identified [ru

  20. Thermodynamic models for determination of 3-chloro-N-phenylphthalimide solubility in binary solvent mixtures of (acetone, ethyl acetate or 1,4-dioxane + methanol)

    International Nuclear Information System (INIS)

    Xie, Yong; Shi, Hongwei; Du, Cunbin; Cong, Yang; Wang, Jian; Zhao, Hongkun

    2016-01-01

    Highlights: • Solubility of 3-chloro-N-phenylphthalimide in binary mixed solvents were determined. • Solubility data were correlated and calculated by five models. • The standard molar enthalpy for the dissolution processes were calculated. - Abstract: The solubility of 3-chloro-N-phenylphthalimide in binary mixed solvents of (acetone + methanol, ethyl acetate + methanol and 1,4-dioxane + methanol) were determined experimentally by using the isothermal dissolution equilibrium method within the temperature range from (288.15 to 323.15) K under atmosphere pressure. For the binary systems of (acetone + methanol) and (1,4-dioxane + methanol), the solubility of 3-chloro-N-phenylphthalimide increased with increasing temperature and mass fraction of acetone or 1,4-dioxane; and for the (ethyl acetate + methanol) system, at a given composition of ethyl acetate, the solubility of 3-chloro-N-phenylphthalimide increased with an increase in temperature; nevertheless at the same temperature, they increased at first and then decreased with increasing mass fraction of 1,4-dioxane. At the same temperature and mass fraction of acetone, ethyl acetate or 1,4-dioxane, the solubility of 3-chloro-N-phenylphthalimide was greater in (1,4-dioxane + methanol) than in the other two mixed solvents. The solubility values were correlated by employing the Jouyban–Acree model, van’t Hoff–Jouyban–Acree model, Apelblat–Jouyban–Acree model, Ma model, and Sun model. On the whole, the Ma model and Sun model were proven to provide good representation of the experimental solubility results. Furthermore, the dissolution enthalpies of the dissolution process were calculated. The dissolution process of 3-chloro-N-phenylphthalimide in these mixed solvents is endothermic. The experimental solubility and the models in this study could be helpful in purifying 3-chloro-N-phenylphthalimide.

  1. Radial diffusive samplers for determination of 8-h concentration of BTEX, acetone, ethanol and ozone in ambient air during a sea breeze event

    Science.gov (United States)

    Roukos, Joelle; Locoge, Nadine; Sacco, Paolo; Plaisance, Hervé

    2011-01-01

    The radial diffusive sampler Radiello ® filled with Carbograph 4 was evaluated for monitoring BTEX, ethanol and acetone concentrations for 8-hour exposure time. The sampling rates were first evaluated in an exposure chamber under standard conditions. Benzene and toluene showed the highest sampling rates with satisfactory standard deviations. Ethylbenzene and xylenes showed medium sampling rates but higher standard deviations that can be attributed to a low affinity of these compounds with the adsorbent medium for short sampling time. Acetone has a fair result because of the increase of its partial pressure in the vicinity of the adsorbent surface in the course of sampling. The Carbograph 4 adsorbent does not seem to be suitable for sampling ethanol, likely because of its high volatility. The influences of three environmental factors (temperature (T), relative humidity (RH) and concentration level (C)) on the sampling rates were also evaluated, following a fractional factorial design at two factor levels (low and high). Results were only investigated on benzene, toluene and acetone. Temperature and relative humidity are found to be the most important factors leading to variability of the benzene and toluene sampling rates. The applicability of the sampler for 8-hour sampling was demonstrated by the results of a measurement campaign carried out during a sea breeze event. Mapping of benzene, toluene and acetone concentrations showed the highest concentrations in the industrial zone following the wind direction coming from the North. Nevertheless, the sea breeze tends to reduce the spread of the industrial plumes. On the contrary, the ozone map presents the lowest concentrations at the same industrial area indicating a net consumption of ozone. The highest ozone concentrations were found in the southeastern zone suggesting a local ozone formation.

  2. Selective detection of acetone and hydrogen sulfide for the diagnosis of diabetes and halitosis using SnO(2) nanofibers functionalized with reduced graphene oxide nanosheets.

    Science.gov (United States)

    Choi, Seon-Jin; Jang, Bong-Hoon; Lee, Seo-Jin; Min, Byoung Koun; Rothschild, Avner; Kim, Il-Doo

    2014-02-26

    Sensitive detection of acetone and hydrogen sulfide levels in exhaled human breath, serving as breath markers for some diseases such as diabetes and halitosis, may offer useful information for early diagnosis of these diseases. Exhaled breath analyzers using semiconductor metal oxide (SMO) gas sensors have attracted much attention because they offer low cost fabrication, miniaturization, and integration into portable devices for noninvasive medical diagnosis. However, SMO gas sensors often display cross sensitivity to interfering species. Therefore, selective real-time detection of specific disease markers is a major challenge that must be overcome to ensure reliable breath analysis. In this work, we report on highly sensitive and selective acetone and hydrogen sulfide detection achieved by sensitizing electrospun SnO2 nanofibers with reduced graphene oxide (RGO) nanosheets. SnO2 nanofibers mixed with a small amount (0.01 wt %) of RGO nanosheets exhibited sensitive response to hydrogen sulfide (Rair/Rgas = 34 at 5 ppm) at 200 °C, whereas sensitive acetone detection (Rair/Rgas = 10 at 5 ppm) was achieved by increasing the RGO loading to 5 wt % and raising the operation temperature to 350 °C. The detection limit of these sensors is predicted to be as low as 1 ppm for hydrogen sulfide and 100 ppb for acetone, respectively. These concentrations are much lower than in the exhaled breath of healthy people. This demonstrates that optimization of the RGO loading and the operation temperature of RGO-SnO2 nanocomposite gas sensors enables highly sensitive and selective detection of breath markers for the diagnosis of diabetes and halitosis.

  3. Microbial production of a biofuel (acetone-butanol-ethanol) in a continuous bioreactor: impact of bleed and simultaneous product removal

    Science.gov (United States)

    Acetone butanol ethanol (ABE) was produced in an integrated continuous fermentation and product recovery system using a microbial strain Clostridium beijerinckii BA101 for ABE production and fermentation gases (CO2 and H2) for product removal by gas stripping. This represents a continuation of our ...

  4. Effective method of fermentation of Riga hydrolyzates of corn cobs and other vegetable waste products for butanol and acetone

    Energy Technology Data Exchange (ETDEWEB)

    Nakhmanovich, B M; Kameneva, L; Kalnina, V

    1963-01-01

    A simplified method is described for the production of butanol and acetone. The acid mixture (H/sub 3/PO/sub 4/, 10 to 20%; H/sub 2/SO/sub 4/, 90 to 80%) used to hydrolyze corn cobs and other vegetable waste products served also to invert the sugar of molasses which was added in 3 parts to 1 part hydrolyzate on the basis of reducing sugar content. The mixture was then diluted and neutralized with NH/sub 4/OH to pH 6.3 to 6.8. In this way a suitable hydrolyzate medium containing the appropriate amounts of mineral salts as well as invert sugar was provided for fermentation by Clostridium butyricum Prazmowsky. Lignin which precipitated during hydrolysis served as a solid phase which helped to accelerate fermentation. Combined yields of butanol, acetone, and small amounts of ethanol amounted to 30 to 38% of the available sugar; approximately 67% consisted of butanol.

  5. Effects of optical diagnostic techniques on the accuracy of laminar flame speeds measured from Bunsen flames: OH* chemiluminescence, OH-PLIF and acetone/kerosene-PLIF

    Science.gov (United States)

    Wu, Yi; Modica, Vincent; Yu, Xilong; Li, Fei; Grisch, Frédéric

    2018-01-01

    The effects of optical diagnostic techniques on the accuracy of laminar flame speed measured from Bunsen flames were investigated. Laminar flame speed measurements were conducted for different fuel/air mixtures including CH4/air, acetone/air and kerosene (Jet A-1)/air in applying different optical diagnostic techniques, i.e. OH* chemiluminescence, OH-PLIF and acetone/kerosene-PLIF. It is found that the OH* chemiluminescence imaging technique cannot directly derive the location of the outer edge of the fresh gases and it is necessary to correct the position of the OH* peak to guarantee the accuracy of the measurements. OH-PLIF and acetone/kerosene-PLIF respectively are able to measure the disappearance of the fresh gas contour and the appearance of the reaction zone. It shows that the aromatic-PLIF technique gives similar laminar flame speed values when compared with those obtained from corrected OH* chemiluminescence images. However, discrepancies were observed between the OH-PLIF and the aromatic-PLIF techniques, in that OH-PLIF slightly underestimates laminar flame speeds by up to 5%. The difference between the flame contours obtained from different optical techniques are further analysed and illustrated with 1D flame structure simulation using detailed kinetic mechanisms.

  6. Acetone sensors based on TiO{sub 2} nanocrystals modified with tungsten oxide species

    Energy Technology Data Exchange (ETDEWEB)

    Epifani, Mauro, E-mail: mauro.epifani@le.imm.cnr.it [Consiglio Nazionale delle Ricerche – Istituto per la Microelettronica e Microsistemi (CNR-IMM), via Monteroni c/o Campus Universitario, I-73100, Lecce (Italy); Comini, Elisabetta [SENSOR Lab, Department of Information Engineering, Brescia University and CNR-INO, via Valotti, 9, 25133 Brescia (Italy); Díaz, Raül [Electrochemical Processes Unit, IMDEA Energy Institute, Avda. Ramón de la Sagra, 3 28935 Móstoles (Spain); Genç, Aziz [Metallurgy and Materials Engineering Department, Faculty of Engineering, Bartin University, 74100, Bartin (Turkey); Andreu, Teresa [Catalonia Institute for Energy Research- (IREC), Jardíns de les Dones de Negre, 1, E-08930 Sant Adrià del Besos, Barcelona, CAT (Spain); Siciliano, Pietro [Consiglio Nazionale delle Ricerche – Istituto per la Microelettronica e Microsistemi (CNR-IMM), via Monteroni c/o Campus Universitario, I-73100, Lecce (Italy); Morante, Joan R. [Catalonia Institute for Energy Research- (IREC), Jardíns de les Dones de Negre, 1, E-08930 Sant Adrià del Besos, Barcelona, CAT (Spain); Departament d' Electrònica, Universitat de Barcelona, C./ Martí i Franquès 1, E-08028 Barcelona (Spain)

    2016-04-25

    TiO{sub 2} nanocrystals were prepared by sol–gel/solvothermal processing and modified by the addition of W precursor before the solvothermal step. The W: Ti nominal atomic ratio (R{sub W}) was fixed to 0.16 and 0.64. Surface modification of TiO{sub 2} occurred for R{sub W} = 0.16 while for R{sub W} = 0.64 nanocomposites with WO{sub 3} nanocrystals were obtained after heat-treatment at 500 °C. Pure TiO{sub 2} proved to be very poorly performing in acetone sensing in all the operating conditions. Instead, the addition of both W concentrations largely enhanced the sensor response. It ranged over two orders of magnitude of conductance variation for all the tested concentrations at as low as 200 °C operating temperature. The results showed that it is possible to enhance the performance of an otherwise almost inactive oxide like TiO{sub 2} by proper combination with another more active oxide like WO{sub 3}. - Highlights: • Sensing architecture are synthesized, combining WO{sub 3} and of TiO{sub 2} nanocrystals. • Surface layers of W oxides or heterojunctions of TiO{sub 2} and WO{sub 3} are obtained. • Simple TiO{sub 2} surface modification by W oxides boosts the TiO{sub 2} acetone response. • High responses even at 200 °C show catalytic effect of WO{sub 3} addition.

  7. Mechanism of the Formation of Organic Derivatives of gamma-Zirconium Phosphate by Topotactic Reactions with Phosphonic Acids in Water and Water-Acetone Media.

    Science.gov (United States)

    Alberti, G.; Giontella, E.; Murcia-Mascarós, S.

    1997-06-18

    The rates of the topotactic reactions between gamma-zirconium phosphate and phenylphosphonic acid in water and water-acetone mixtures at various temperatures were investigated. The slow rates of the process in aqueous medium or in water-acetone mixtures at temperatures lower than 50 degrees C were attributed to a slow interdiffusion of O(2)P(OH)(2)(-) and O(2)P(OH)(C(6)H(5))(-) groups in the interlayer region of gamma-ZrP. Similar to ion-exchange processes, the replacement begins in the external part of the interlayer region and progresses toward the central region with the formation of an advancing phase boundary. In water-acetone mixtures at temperatures higher than 60 degrees C an exfoliation of gamma-ZrP was found. Thus, the initial process is very fast since the substitution can take place directly on the surface of the exfoliated gamma-lamellae. However, after a certain degree of substitution, a flocculation of the colloidal dispersion, which slows down the rate of the further topotactic substitution, was observed. Some considerations on the topotactic substitution occurring on the surface of the exfoliated lamellae and on the mechanism of the diffusion of the exchanging species in the interlayer region are also reported.

  8. Acetone-butanol-ethanol competitive sorption simulation from single, binary, and ternary systems in a fixed-bed of KA-I resin.

    Science.gov (United States)

    Wu, Jinglan; Zhuang, Wei; Ying, Hanjie; Jiao, Pengfei; Li, Renjie; Wen, Qingshi; Wang, Lili; Zhou, Jingwei; Yang, Pengpeng

    2015-01-01

    Separation of butanol based on sorption methodology from acetone-butanol-ethanol (ABE) fermentation broth has advantages in terms of biocompatibility and stability, as well as economy, and therefore gains much attention. In this work a chromatographic column model based on the solid film linear driving force approach and the competitive Langmuir isotherm equations was used to predict the competitive sorption behaviors of ABE single, binary, and ternary mixture. It was observed that the outlet concentration of weaker retained components exceeded the inlet concentration, which is an evidence of competitive adsorption. Butanol, the strongest retained component, could replace ethanol almost completely and also most of acetone. In the end of this work, the proposed model was validated by comparison of the experimental and predicted ABE ternary breakthrough curves using the real ABE fermentation broth as a feed solution. © 2014 American Institute of Chemical Engineers.

  9. Inhibitory and bactericidal potential of crude acetone extracts of Combretum molle (Combretaceae) on drug-resistant strains of Helicobacter pylori.

    Science.gov (United States)

    Njume, Collise; Afolayan, Anthony J; Samie, Amidou; Ndip, Roland N

    2011-10-01

    Infection with Helicobacter pylori is strongly associated with a number of gastroduodenal pathologies. Antimicrobial resistance to commonly-used drugs has generated a considerable interest in the search for novel therapeutic compounds from medicinal plants. As an ongoing effort of this search, the susceptibility of 32 clinical strains of H. pylori and a reference strain-NCTC 11,638-was evaluated against five solvent extracts of Combretum molle, a plant widely used for the treatment of gastric ulcers and other stomach-related morbidities in South Africa. The extracts were screened for activity by the agar-well diffusion method, and the most active one of them was tested against the same strains by micro-broth dilution and time kill assays. Metronidazole and amoxicillin were included in these experiments as positive control antibiotics. The solvent extracts all demonstrated anti-H. pylori activity with zone diameters of inhibition between 0 and 38 mm. The most potent anti-H. pylori activity was demonstrated by the acetone extract, to which 87.5% of the clinical strains were susceptible. The minimum inhibitory concentration (MIC90) values for this extract ranged from 1.25 to 5.0 mg/mL while those for amoxicillin and metronidazole ranged from 0.001 to 0.94 mg/mL and from 0.004 to 5.0 mg/mL respectively. The acetone extract was highly bactericidal at a concentration of 2.5 and 5.0 mg/mL, with complete elimination of the test organisms in 24 hours. Its inhibitory activity was better than that of metronidazole (pmolle may contain therapeutically-useful compounds against H. pylori, which are mostly concentrated in the acetone extract.

  10. Central nervous system activity of an aqueous acetonic extract of Ficus carica L. in mice

    Directory of Open Access Journals (Sweden)

    Mittal M Bhanushali

    2014-01-01

    Full Text Available Background: Ficus carica Linn. is reported to possess variety of activities, but its potential in CNS disorders is still to be explored. Objective: The present study was carried out to evaluate the CNS depressant activity of aqueous acetonic extract of Ficus carica Linn on different models in mice. Materials and Methods: The aerial parts of the plant Ficus carica L. were extracted with aqueous acetone and the solvent was removed by rotary vacuum evaporator under reduced pressure. A crude extract was given orally and its effects were tested on ketamine-induced sleeping time, muscle-coordination, anxiety (elevated-plus maze and Staircase test, convulsions [maximal electroshock (MES and pentylenetetrazole (PTZ-induced seizures], and nociception. In addition, we determined the levels of neurotransmitters, norepinephrine (NE and 5-hydroxytryptamine (5-HT. Results: Results from the experimental models tested showed: (1 a delay on onset and prolongation of sleep of ketamine-induced sleeping time; (2 significant muscle relaxant activity; (3 a significant attenuation in the anxiety-response (4 a delay in the onset of seizures and reduction in duration of seizures and mortality induced by MES and PTZ; (5 a reduction in the licking time in nociception test and (6 increased levels of NE and 5-HT. Conclusion: This suggests that Ficus carica L. exerts its CNS depressive effect by modulating the neurotransmitters NE and 5-HT in the brain.

  11. Proton transfer and unimolecular decay in the low-energy-reaction dynamics of H3O+ with acetone

    International Nuclear Information System (INIS)

    Creasy, W.R.; Farrar, J.M.

    1983-01-01

    The title reaction has been studied at collision energies of 0.83 and 2.41 eV. Direct reaction dynamics have been observed at both energies and an increasingly high fraction of the total energy appears in product translation as the collision energy increases. This result is consistent with the concept of induced repulsive energy release, which becomes more effective as trajectories sample the corner of the potential energy surface. At the higher collision energy, the protonated acetone cation undergoes two unimolecular decay channels: C-C bond cleavage to CH 3 CO + and CH 4 , and C-O bond cleavagto C 3 H 5 + (presumably to allyl cation) and H 2 O. The CH 3 CO + channel, endothermic relative to ground state protonated acetone cations by 0.74 eV, appears to liberate 0.4 eV in relative product translation while the C 3 H 5 + channel, endothermic by 2.17 eV, liberates only 0.07 eV in relative translation. These results are discussed in terms of the location on the reaction coordinate and magnitudes of potential energy barriers to 1,3-hydrogen atoms shifts which must precede the bond cleavage processes

  12. Emission of OH* and CO2* during the high-temperature oxidation of acetone in reflected shock waves

    Science.gov (United States)

    Tereza, A. M.; Smirnov, V. N.; Vlasov, P. A.; Shumova, V. V.; Garmash, A. A.

    2018-01-01

    Experimental and kinetic modeling study of the ignition of a stoichiometric mixture of acetone with oxygen diluted by argon was carried out behind reflected shock waves within the temperature range of 1350-1810 K for the total mixture concentration [M 50] ~ 10-5 mol/cm3. Emission signals were recorded simultaneously for three different wavelengths: OH* (λ = 308 nm) and {{{CO}}}2* (λ1 = 365 nm; λ2 = 451 nm). It was revealed that the time it takes to reach the maximum of emission of OH* and {{{CO}}}2* is practically the same over the whole temperature range. At the same time, the emission profiles of {{{CO}}}2* after the maximum was attained, recorded at λ2 = 451 nm, differ noticeably from the profiles recorded at λ1 = 365 nm. For numerical modeling of the emission profiles of OH* and {{{CO}}}2* , the corresponding sets of excitation and quenching reactions available in the literature were used. In the course of our numerical simulations we succeeded in good agreement of our own experimental and simulation results on acetone ignition and the results available in the literature for conditions under consideration.

  13. Some Biological studies on the Mediterranean Fruit Fly, Ceratitis capitata (Wiedemann) After Egg Exposure to Acetone, Diethyl Ether, Ethyl Alcohol and Pupal Gamma Irradiation

    International Nuclear Information System (INIS)

    Fadel, A.M.

    2000-01-01

    Some biological studies of the Mediterranean fruit fly Ceratitis capitata (Wiedemann) were carried out to help in controlling this pest. Three laboratory experiments were done to study the effect of acetone, diethyl ether and ethyl alcohol separately or combined with gamma radiation through egg treatment or larval diet treatment. The gamma dose (90 Gy) was applied only on the produced pupae after egg or larval diet treatment. Concentrations of 0, 25, 50 and 100% of each chemical were applied for treating eggs to evaluate egg hatch, pupation, adult emergence and sex ratio. larval diet treatment was done by adding 20 ml of each chemical concentration to 500 gm of larval diet.Treating eggs with ethyl alcohol separately increased pupation significantly at all concentration used while adult emergence was insignificantly increased with the lowest concentration only (25%). Treating larval diet with ethyl alcohol alone increased pupation insignificantly and adult emergence was insignificantly decreased at different concentrations. Moreover, treating eggs or larval diet with diethyl ether alone significantly increased sex ratio at 50% and 2% concentration, respectively,while differed insignificantly by applying different chemicals either on eggs or on larval diet. Treating eggs with the three chemicals before gamma irradiation of the produced pupae fluctuated egg hatch insignificantly compared to gamma irradiation alone. By applying diethyl ether on eggs or acetone in the larval diet decreased egg hatch insignificantly. Competitiveness values were insignificantly increased by applying ethyl alcohol on eggs, acetone or ethyl alcohol on eggs, acetone or ethyl alcohol in larval diet before gamma irradiation of the produced pupae. Survivals of the produced adults, treated as eggs or in the larval diet with different chemicals and irradiated as pupae, fluctuated insignificantly

  14. Toxicity of two imidazolium ionic liquids, [bmim][BF4] and [omim][BF4], to standard aquatic test organisms: Role of acetone in the induced toxicity.

    Science.gov (United States)

    Tsarpali, Vasiliki; Dailianis, Stefanos

    2015-07-01

    The main goal of this study was to investigate the toxicity of the imidazolium-based ionic liquids (ILs), [bmim][BF4] (1-butyl-3-methylimidazolium tetrafluoroborate) and [omim][BF4] (1-octyl-3-methylimidazolium tetrafluoroborate), in battery of standard aquatic toxicity test organisms. Specifically, exposure of the algae Scenedesmus rubescens, crustaceans Thamnocephalus platyurus and Artemia franciscana, rotifers Brachionus calyciflorus and Brachionus plicatilis and bivalve Mytilus galloprovincialis to different concentrations of [bmim][BF4], [omim][BF4] and/or a binary mixture of [bmim][BF4]-[omim][BF4] (1:1) with or without acetone (carrier solvent), revealed that solvent can differentially mediate ILs' toxic profile. Acetone's ability to differentially affect ILs' cation's alkyl chain length, as well as the hydrolysis of [BF4(-)] anions was evident. Given that the toxic potency of the tested ILs seemed to be equal or even higher (in some cases) than those of conventional organic solvents, the present study revealed that the characterization of imidazolium-based ILs as "green solvents" should not be generalized, at least in case of their natural occurrence in mixtures with organic solvents, such as acetone. Copyright © 2015 Elsevier Inc. All rights reserved.

  15. Effect of cellulosic sugar degradation products (furfural and hydroxymethylfurfural) on acetone-butanol-ethanol (ABE) fermentation using Clostridium beijerinckii P260

    Science.gov (United States)

    Studies were performed to identify chemicals present in wheat straw hydrolysate (WSH) that enhance acetone butanol ethanol (ABE) productivity. These chemicals were identified as furfural and hydroxymethyl furfural (HMF). Control experiment resulted in the production of 21.09-21.66 gL**-1 ABE with a ...

  16. Separation of benzene from mixtures with water, methanol, ethanol, and acetone: highlighting hydrogen bonding and molecular clustering influences in CuBTC

    NARCIS (Netherlands)

    Gutiérrez-Sevillano, J.J.; Calero, S.; Krishna, R.

    2015-01-01

    Configurational-bias Monte Carlo (CBMC) simulations are used to establish the potential of CuBTC for separation of water/benzene, methanol/benzene, ethanol/benzene, and acetone/benzene mixtures. For operations under pore saturation conditions, the separations are in favor of molecules that partner

  17. Responses of lone star tick (acari: ixodidae) nymphs to the repellent deet applied in acetone and ethanol solutions in vitro bioassays

    Science.gov (United States)

    Behavioral bioassays remain a standard tool in the discovery, development, and registration of repellents. Although tick repellent bioassays tend to be rather uncomplicated, several factors can influence their outcomes. Typically repellent bioassays use a solvent, such as acetone or ethanol, to disp...

  18. A novel in situ gas stripping-pervaporation process integrated with acetone-butanol-ethanol fermentation for hyper n-butanol production.

    Science.gov (United States)

    Xue, Chuang; Liu, Fangfang; Xu, Mengmeng; Zhao, Jingbo; Chen, Lijie; Ren, Jiangang; Bai, Fengwu; Yang, Shang-Tian

    2016-01-01

    Butanol is considered as an advanced biofuel, the development of which is restricted by the intensive energy consumption of product recovery. A novel two-stage gas stripping-pervaporation process integrated with acetone-butanol-ethanol (ABE) fermentation was developed for butanol recovery, with gas stripping as the first-stage and pervaporation as the second-stage using the carbon nanotubes (CNTs) filled polydimethylsiloxane (PDMS) mixed matrix membrane (MMM). Compared to batch fermentation without butanol recovery, more ABE (27.5 g/L acetone, 75.5 g/L butanol, 7.0 g/L ethanol vs. 7.9 g/L acetone, 16.2 g/L butanol, 1.4 g/L ethanol) were produced in the fed-batch fermentation, with a higher butanol productivity (0.34 g/L · h vs. 0.30 g/L · h) due to reduced butanol inhibition by butanol recovery. The first-stage gas stripping produced a condensate containing 155.6 g/L butanol (199.9 g/L ABE), which after phase separation formed an organic phase containing 610.8 g/L butanol (656.1 g/L ABE) and an aqueous phase containing 85.6 g/L butanol (129.7 g/L ABE). Fed with the aqueous phase of the condensate from first-stage gas stripping, the second-stage pervaporation using the CNTs-PDMS MMM produced a condensate containing 441.7 g/L butanol (593.2 g/L ABE), which after mixing with the organic phase from gas stripping gave a highly concentrated product containing 521.3 g/L butanol (622.9 g/L ABE). The outstanding performance of CNTs-PDMS MMM can be attributed to the hydrophobic CNTs giving an alternative route for mass transport through the inner tubes or along the smooth surface of CNTs. This gas stripping-pervaporation process with less contaminated risk is thus effective in increasing butanol production and reducing energy consumption. © 2015 Wiley Periodicals, Inc.

  19. Suitability of yeast autolyzates, potato pulp, and starch-factory water for addition to molasses mash in the acetone-butanol fermentation

    Energy Technology Data Exchange (ETDEWEB)

    Bujak, S; Imielski, A; Zakrzewsda, I

    1960-01-01

    Addition of potato pulp, yeast extraction, and starch-factory water to fermenting molasses mash did not increase the final concentrations of acetone and butanol. Addition of 5% of yeast autolyzates to the mash enriched with 0.5 to 0.75% barley flour increased production by 4 to 10%.

  20. Kinetic Study of Acetone-Butanol-Ethanol Fermentation in Continuous Culture

    Science.gov (United States)

    Buehler, Edward A.; Mesbah, Ali

    2016-01-01

    Acetone-butanol-ethanol (ABE) fermentation by clostridia has shown promise for industrial-scale production of biobutanol. However, the continuous ABE fermentation suffers from low product yield, titer, and productivity. Systems analysis of the continuous ABE fermentation will offer insights into its metabolic pathway as well as into optimal fermentation design and operation. For the ABE fermentation in continuous Clostridium acetobutylicum culture, this paper presents a kinetic model that includes the effects of key metabolic intermediates and enzymes as well as culture pH, product inhibition, and glucose inhibition. The kinetic model is used for elucidating the behavior of the ABE fermentation under the conditions that are most relevant to continuous cultures. To this end, dynamic sensitivity analysis is performed to systematically investigate the effects of culture conditions, reaction kinetics, and enzymes on the dynamics of the ABE production pathway. The analysis provides guidance for future metabolic engineering and fermentation optimization studies. PMID:27486663

  1. Energy and Rate Determinations to Activate the C-C σ-BOND of Acetone by Gaseous NI^+

    Science.gov (United States)

    Castleberry, Vanessa A.; Dee, S. Jason; Villarroel, Otsmar J.; Laboren, Ivanna E.; Frey, Sarah E.; Bellert, Darrin J.

    2009-06-01

    A unique application of a custom fabricated photodissociation spectrometer permits the determination of thermodynamic properties (activation energies), reaction rates, and mechanistic details of bare metal cation mediated C-C σ-bond activation in the gas phase. Specifically, the products and rates resulting from the unimolecular decomposition of the Ni^+Acetone (Ni^+Ac) adduct are monitored after absorption of a known amount of energy. The three dissociative products which are observed in high yield are Ni^+, Ni^+CO, and CH3CO^+. The latter two fragment ions result from the activation of a C-C σ-bond. It was found that minimally 14 000 cm^{-1} of energy must be deposited into the adduct ion to induce C-C bond breakage. Preliminary results for the Ni^+ activation of the C-C σ-bond of acetone indicate that there are (at least) two low energy reaction coordinates leading to C-C bond breakage. The lower energy pathway emerges from the doublet ground state with an upper limit to the activation energy of 14 000 cm^{-1} and reaction rate ≈0.14 molecules/μs. The higher energy path is assumed to be along the quartet reaction coordinate with a minimum activation energy of 18 800 cm^{-1} (relative to the ground state) and a slightly slower reaction rate.

  2. Crystal structure of bis[μ-bis(diphenylphosphanylmethane-κ2P:P′]digold(I dichloride acetone monosolvate monohydrate

    Directory of Open Access Journals (Sweden)

    Chien Ing Yeo

    2015-08-01

    Full Text Available In the title complex salt, [Au2{(C6H52PCH2P(C6H52}]Cl2·(CH32C=O·H2O, the dication forms an eight-membered {—PCPAu}2 ring with a transannular aurophilic interaction [Au...Au = 2.9743 (2 Å]. The ring approximates a flattened boat conformation, with the two methylene C atoms lying ca 0.58–0.59 Å above the least-squares plane defined by the Au2P4 atoms (r.m.s. deviation = 0.0849 Å. One Cl− anion functions as a weak bridge between the AuI atoms [Au...Cl = 2.9492 (13 and 2.9776 (12 Å]. The second Cl− anion forms two (waterO—H...Cl hydrogen bonds about a centre of inversion, forming a centrosymmetric eight-membered {...HOH...Cl}2 supramolecular square. Globally, the dications and loosely associated Cl− anions assemble into layers lying parallel to the ac plane, being connected by C—H...Cl,π(phenyl interactions. The supramolecular squares and solvent acetone molecules are sandwiched in the inter-layer region, being connected to the layers on either side by C—H...Cl,O(acetone interactions.

  3. A model to assess the feasibility of shifting reaction equilibrium by acetone removal in the transamination of ketones using 2‐propylamine

    DEFF Research Database (Denmark)

    Tufvesson, Pär; Bach, Christian; Woodley, John

    2014-01-01

    also shows the value of a modeling approach in conceptual process design prior to entering a biocatalyst screening or engineering program to assess the feasibility of a particular process strategy for a given target product. Biotechnol. Bioeng. 2014;111: 309–319. © 2013 Wiley Periodicals, Inc....... strategy. To avoid excessive laboratory work a model was used to assess the process feasibility. The results from the current study show that a simple model of the acetone removal dependence on temperature and sparging gas flowrate can be developed and fits the experimental data well. The model for acetone...... removal was then coupled to a simple model for biocatalyst kinetics and also for loss of substrate ketone by evaporation. The three models were used to simulate the effects of varying the critical process parameters and reaction equilibrium constants (K eq) as well as different substrate ketone...

  4. Acetone-butanol-ethanol production from substandard and surplus dates by Egyptian native Clostridium strains.

    Science.gov (United States)

    Abd-Alla, Mohamed Hemida; Zohri, Abdel-Naser Ahmed; El-Enany, Abdel-Wahab Elsadek; Ali, Shimaa Mohamed

    2015-04-01

    One hundred and seven mesophilic isolates of Clostridium were isolated from agricultural soils cultivated with different plants in Assuit Governorate, Egypt. Eighty isolates (out of 107) showed the ability to produce ABE (Acetone, butanol and ethanol) on T6 medium ranging from 0.036 to 31.89 g/L. The highest numbers of ABE producing isolates were obtained from soil samples of potato contributing 27 isolates, followed by 18 isolates from wheat and 10 isolates from onion. On the other hand, there were three native isolates that produced ABE more than those produced by the reference isolate Clostridium acetobutylicum ATCC 824 (11.543 g/L). The three isolates were identified based on phenotypic and gene encoding 16S rRNA as Clostridium beijerinckii ASU10 (KF372577), Clostridium chauvoei ASU55 (KF372580) and Clostridium roseum ASU58 (KF372581). The highest ABE level from substandard and surplus dates was produced by C. beijerinckii ASU10 (24.07 g/L) comprising butanol 67.15% (16.16 g/L), acetone 30.73% (7.4 g/L) and ethanol 2.12% (0.51 g/L), while C. roseum ASU58 and C. chauvoei ASU55 produced ABE contributing 20.20 and 13.79 g/L, respectively. ABE production by C. acetobutylicum ATCC 824 was 15.01 g/L. This study proved that the native strains C. beijerinckii ASU10 and C. roseum ASU58 have high competitive efficacy on ABE production from economical substrate as substandard and surplus date fruits. Additionally, using this substrate without any nutritional components is considered to be a commercial substrate for desired ABE production. Copyright © 2014 Elsevier Ltd. All rights reserved.

  5. 40 CFR 721.6660 - Polymer of alkanepolyol and poly-alkyl-poly-iso-cyan-ato-car-bo-mo-no-cycle, acetone oxime...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Polymer of alkanepolyol and poly-alkyl... Polymer of alkanepolyol and poly-alkyl-poly-iso-cyan-ato-car-bo-mo-no-cycle, acetone oxime-blocked... substance identified generically as a polymer of alkane-polyol and polyalkylpolyisocyanatocarbomonocy- cle...

  6. OPTIMIZATION OF PRODUCTION OF 5-HYDROXYMETHYLFURFURAL FROM GLUCOSE IN A WATER: ACETONE BIPHASIC SYSTEM

    Directory of Open Access Journals (Sweden)

    A. D. M. Mendonça

    2015-06-01

    Full Text Available Abstract5-Hydroxymethylfurfural (HMF is considered to be an important building block for biorefineries and has a high potential for the production of chemicals and fuels. Production of HMF from glucose was studied using phosphoric acid as catalyst, in a water:acetone system with volume ratio of 1:2 and NaCl. An experimental design was applied to examine the influence of temperature, time and concentration of catalyst on the HMF yield. HMF yields of more than 50 % were obtained when using 200 ºC, 8.4 min and 0.8% of catalyst. The temperature is the main factor influencing the HMF yield.

  7. Colorimetric determination of uranium using ammonium thiocyanate in a medium of ethyl acetate, acetone and water; Dosage colorimetrique de l'uranium par le thiocyanate d'ammonium en milieu acetate d'ethyle-acetone-eau

    Energy Technology Data Exchange (ETDEWEB)

    Hucleux, M; Dessapt, P

    1959-04-01

    The method consists of colorimetrically analyzing uranium using ammonium sulfo-cyanide in the solvent phase. The optimum conditions for extracting uranium by ethyl acetate have been studied. A precise colorimetric method was established which depends on the extracted phase and on the behavior of the ethyl acetate-acetone medium. (author) [French] La methode consiste a doser l'uranium par colorimetrie au sulfocyanure d'ammonium en phase solvant. Les meilleures conditions d'extraction de l'uranium par l'acetate d'ethyle ont ete etudiees. Une colorimetrie precise a ete mise au point en fonction de l'acidite de la phase extraite et du comportement du milieu acetate d'ethyleacetone. (auteur)

  8. Evidence for CO formation in irradiated methanol and acetone: contribution of low-energy electron-energy-loss spectroscopy to γ-radiolysis

    International Nuclear Information System (INIS)

    Jay-Gerin, J.-P.; Fraser, M.-J.; Michaud, M.; Sanche, L.; Swiderek, P.; Ferradini, C.

    1997-01-01

    Energy-loss spectra for low-energy electrons incident on acetone condensed on a multilayer film of argon, and on a methanol film deposited on a metallic substrate, are reported. In both cases, the formation of carbon monoxide has been detected. These results are directly related to those obtained in the liquid-phase γ-radiolysis of the two compounds. (author)

  9. Quantification of polyphenols and evaluation of antimicrobial, analgesic and anti-inflammatory activities of aqueous and acetone-water extracts of Libidibia ferrea, Parapiptadenia rigida and Psidium guajava.

    Science.gov (United States)

    de Araújo, Aurigena Antunes; Soares, Luiz Alberto Lira; Assunção Ferreira, Magda Rhayanny; de Souza Neto, Manoel André; da Silva, Giselle Ribeiro; de Araújo, Raimundo Fernandes; Guerra, Gerlane Coelho Bernardo; de Melo, Maria Celeste Nunes

    2014-10-28

    Vast numbers of plant species from northeastern Brazil have not yet been phytochemically or biologically evaluated. The goal of this work was to obtain, characterize and show the antimicrobial, analgesic and anti-inflammatory activities of aqueous and acetone-water extracts of Libidibia ferrea, Parapiptadenia rigida and Psidium guajava. The plant material (100g) was dried, and the crude extracts were obtained by using turbo-extraction (10%; w/v) with water or acetone:water (7:3, v/v) as the extraction solvent. High-performance liquid chromatography (HPLC) methods were used to screen the crude extracts for hydrolysable tannins (gallic acid) and condensed tannins (catechins). The antibacterial activity was evaluated by agar-diffusion and microdilution methods against Gram-positive strains (Staphylococcus aureus ATCC 25923, Staphylococcus epidermidis INCQS 00016, Enterococcus faecalis ATCC 29212 and a clinical isolate of methicillin-resistant Staphylococcus aureus) as well as Gram-negative strains (Escherichia coli ATCC 25922, Salmonella enteritidis INCQS 00258, Shigella flexneri and Klebsiella pneumoniae). To evaluate the anti-inflammatory activity, a leukocyte migration model was used. Analgesic activity was determined by the hot plate test and the acetic acid-induced abdominal writhing test. Data were analyzed by analysis of variance (ANOVA) at a significance level of 5%. Parapiptadenia rigida presented the highest amount of total polyphenols (35.82 ± 0.20%), while the greatest catechin content was found in the acetone-water extract of Psidium guajava (EAWPg; 1.04 μg/g). The largest amounts of catechins were found in the aqueous extract of Libidibia ferrea (EALf; 1.07 μg/g) and the acetone-water extract of Parapiptadenia rigida (EAWPr; 1.0 μg/g). All extracts showed activity against Gram-positive bacteria. The aqueous and acetone-water extracts of Psidium guajava showed the greatest inhibition zones in the agar diffusion tests. In the evaluation of the minimum

  10. Tin DioxideNanostructure Gas Sensor for Acetone and Methanol Detection

    Directory of Open Access Journals (Sweden)

    Osama Abdul Azeez Dakhil

    2017-02-01

    Full Text Available Simple and efficient technique were successfully used to prepare Tin dioxide (SnO2 nanostructure by simple evaporation method, using single stage horizontal tube furnace under atmosphere pressure and quartz tube with Argon flow without additive. SnO2 thick films were synthesized using simple, homemade, low-cost efficient screen print technique. The thick films were heated at 500 0Cfor one hour to vanish the organic material and any residual impurities. The prepared thick films were investigated using different techniques and apparatus, X-Ray and FESEM to study the structural and morphology of the films, the X-ray results show that the films are polycrystalline with sharp and high intensity peaks indicating high crystalinity of the product. The FESEM Images show homogenous nanostructure with high porosity the dimension range 40-70 nm, optical properties was studied with photoluminescence emission (PL and transmittance in UV-Visible range. SnO2 sensor was built up by electroding the thick films and used for Acetone and methanol detection.

  11. Theoretical-experimental study of the solvation enthalpy of acetone in dilute aqueous solution

    International Nuclear Information System (INIS)

    Arroyo, S. Tolosa; Martin, J.A. Sanson; Garcia, A. Hidalgo

    2005-01-01

    The present paper describes molecular dynamics simulations of aqueous solutions at infinite dilution with acetone as solute. Lennard-Jones with electrostatic term (12-6-1 potentials) were employed to describe the solute-solvent interactions. The Morokuma decomposition scheme of ab initio interaction energies at the SCF level and the ESIE charges on the solute atoms were used to reproduce the exchange and Coulomb electrostatic contributions of the solute-water interaction potential. Some extensions, such as including the dispersion component evaluated at MP2 level, were added to the traditional calculation procedures in order to improve the results of the solvation enthalpy. The results obtained with the EX-DIS-ES model were compared with the experimental calorimetry values, the observed agreement being acceptable

  12. Short communication: Aqueous-acetone extraction improves the drawbacks of using dimethylsulfoxide as solvent for photometric pigment quantification in Quercus ilex leaves

    Directory of Open Access Journals (Sweden)

    Rosario Gonzalez-Cascon

    2017-10-01

    Research highlights: Oxidizing conditions and polyphenol concentrations in Q. ilex leaves generated brown colorations in the DMSO extraction procedure, interfering with the photometric measurements in the red-orange region. Aqueous-acetone extraction was free from interference. DMSO should be avoided for pigment determination in Q. ilex leaves or when comparing different tree species.

  13. Photocatalytic oxidation dynamics of acetone on TiO2: tight-binding quantum chemical molecular dynamics study

    International Nuclear Information System (INIS)

    Lv Chen; Wang Xiaojing; Agalya, Govindasamy; Koyama, Michihisa; Kubo, Momoji; Miyamoto, Akira

    2005-01-01

    The clarification of the excited states dynamics on TiO 2 surface is important subject for the design of the highly active photocatalysts. In the present study, we applied our novel tight-binding quantum chemical molecular dynamics method to the investigation on the photocatalytic oxidation dynamics of acetone by photogenerated OH radicals on the hydrated anatase TiO 2 surface. The elucidated photocatalytic reaction mechanism strongly supports the previous experimental proposal and finally the effectiveness of our new approach for the clarification of the photocatalytic reaction dynamics employing the large simulation model was confirmed

  14. On the role of the activation procedure of supported hydrotalcites for base catalyzed reactions: Glycerol to glycerol carbonate and self-condensation of acetone

    NARCIS (Netherlands)

    Alvarez, M.G.; Frey, A.M.; Bitter, J.H.; Segarra, A.M.; Jong, de K.P.; Medina, F.

    2013-01-01

    Bulk and carbon nanofiber supported MgAl hydrotalcites have been investigated as solid base catalysts for the synthesis of glycerol carbonate and dicarbonate and for the self-condensation of acetone. The supported materials exhibited a 300 times higher activity compared to bulk activated

  15. Solubility of nicotinic acid in water, ethanol, acetone, diethyl ether, acetonitrile, and dimethyl sulfoxide

    International Nuclear Information System (INIS)

    Gonçalves, Elsa M.; Minas da Piedade, Manuel E.

    2012-01-01

    Highlights: ► We determined the solubility of nicotinic acid in six solvents by the gravimetric method. ► We found that, regardless of the solvent, the same monoclinic solid phase was in equilibrium with the solution. ► We determined the activity coefficients of nicotinic acid in the six solvents. ► We found that the solubility trends seem to be determined by the polarity and polarizability of the solvent. - Abstract: The mole fraction equilibrium solubility of nicotinic acid in six solvents (water, ethanol, dimethyl sulfoxide, acetone, acetonitrile and diethyl ether) differing in polarity, polarizability, and hydrogen-bonding ability, was determined over the temperature range (283 to 333) K, using the gravimetric method. The results obtained led to the solubility order dimethyl sulfoxide (DMSO) ≫ ethanol > water > acetone > diethyl ether > acetonitrile. An analysis based on various solvent descriptors, indicated that this trend seems to be mainly determined by the polarity and polarizability of the solvent. The activity coefficients of nicotinic acid in the different solvents, under saturation conditions, were determined as a function of the temperature and it was found that DMSO exhibits enhanced solubility relative to an ideal solution while the opposite is observed for all other solvents. Both the solvent and the fact that nicotinic acid is primarily zwitterionic in aqueous solution and non-zwitterionic in non-aqueous media, did not affect the nature of the solid phases in equilibrium with the different solutions. Indeed, X-ray powder diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and differential scanning calorimetry analysis indicated that, despite some differences in particle size and morphology, the starting material and the solid products obtained at the end of the solubility studies in the six solvents used in this work were all crystalline and corresponded to the same monoclinic phase.

  16. Determination of Double Bond Positions in Polyunsaturated Fatty Acids Using the Photochemical Paternò-Büchi Reaction with Acetone and Tandem Mass Spectrometry.

    Science.gov (United States)

    Murphy, Robert C; Okuno, Toshiaki; Johnson, Christopher A; Barkley, Robert M

    2017-08-15

    The positions of double bonds along the carbon chain of methylene interrupted polyunsaturated fatty acids are unique identifiers of specific fatty acids derived from biochemical reactions that occur in cells. It is possible to obtain direct structural information as to these double bond positions using tandem mass spectrometry after collisional activation of the carboxylate anions of an acetone adduct at each of the double bond positions formed by the photochemical Paternò-Büchi reaction with acetone. This reaction can be carried out by exposing a small portion of an inline fused silica capillary to UV photons from a mercury vapor lamp as the sample is infused into the electrospray ion source of a mass spectrometer. Collisional activation of [M - H] - yields a series of reverse Paternò-Büchi reaction product ions that essentially are derived from cleavage of the original carbon-carbon double bonds that yield an isopropenyl carboxylate anion corresponding to each double bond location. Aldehydic reverse Paternò-Büchi product ions are much less abundant as the carbon chain length and number of double bonds increase. The use of a mixture of D 0 /D 6 -acetone facilitates identification of these double bonds indicating product ions as shown for arachidonic acid. If oxygen is present in the solvent stream undergoing UV photoactivation, ozone cleavage ions are also observed without prior collisional activation. This reaction was used to determine the double bond positions in a 20:3 fatty acid that accumulated in phospholipids of RAW 264.7 cells cultured for 3 days.

  17. A novel UV-photolysis approach with acetone and isopropyl alcohol for the rapid determination of fluoride in organofluorine-containing drugs by spectrophotometry.

    Science.gov (United States)

    Mullapudi, Venkata Balarama Krishna; Dheram, Karunasagar

    2018-01-01

    A UV photolysis decomposition (UVPD) method for the determination of fluoride in fluorine containing pharmaceuticals by spectrophotometry is reported. It is based on the use of high intensity UV-irradiation in the presence of a digesting solution comprising a mixture of acetone and isopropanol. For the optimization of the UVPD procedure, three bulk drugs (levofloxacin, nebivolol and efavirenz) were chosen as representatives of three diverse compounds containing a single fluorine atom, two fluorine atoms, and trifluoromethyl groups respectively. Operational conditions of the UVPD method, such as concentration and volume of reagents (acetone and isopropyl alcohol), and UV irradiation time (1-6 minutes) were optimized. The efficiency of digestion was evaluated by the determination of fluoride in sample digests. Using the developed method, it was possible for complete conversion of the organofluoride to free fluoride ion for its subsequent determination by spectrophotometry based on bleaching of Zr-xylenol orange-color complex. Quantitative recovery (>98%) of the fluorine in the drug samples could be achieved using a mixture of 2% acetone + 2% isopropyl alcohol + 0.003% Na 2 CO 3 in just 5 minutes of UV irradiation, which can be considered an important aspect considering the difficulties involved in the cleavage of the CF bond. Accuracy was evaluated by comparison of results obtained by the UVPD method with the values estimated using formula weight of the compound and no statistical difference was observed between the results. Therefore, the proposed method is suitable for application in routine analysis of fluoride in organofluorine-containing drugs. Copyright © 2016. Published by Elsevier B.V.

  18. PVC membrane based potentiometric sensor for uranyl ion using thenoyl trifluoro acetone as ionophore

    International Nuclear Information System (INIS)

    Nanda, D.; Chouhan, H.P.S.; Maiti, B.

    2004-01-01

    Uranyl ion selective electrode based on thenoyl trifluoro acetone (TTA) incorporated into a polyvinyl chloride (PVC) membrane has been developed where dibutyl phthalate and sodium tetraphenyl borate have been used as plasticizer and anion excluder respectively. The PVC membrane containing the active ionophore, TTA, and the other ingredients has been directly cast a graphite electrode. The electrode shows near Nernstian response to UO 2 2+ in the concentration range of 10 -1 to 10 -6 mol. L -1 an average slope of 30 mV/decade. Alkali and alkaline earth ions do not interfere with the determination of uranyl ion. Interference of transition metal ions and Th (IV) is eliminated using EDTA. (author)

  19. A longitudinal study of ammonia, acetone and propanol in the exhaled breath of 30 subjects using selected ion flow tube mass spectrometry, SIFT-MS

    Czech Academy of Sciences Publication Activity Database

    Turner, C.; Španěl, Patrik; Smith, D.

    2006-01-01

    Roč. 27, č. 4 (2006), s. 321-337 ISSN 0967-3334 Institutional research plan: CEZ:AV0Z40400503 Keywords : breath analysis * metabolites * ammonia * acetone * SIFT-MS Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.438, year: 2006

  20. A systemic view on the distribution of diet-derived methanol and hepatic acetone in mice.

    Science.gov (United States)

    Kistler, Martin; Muntean, Andreea; Höllriegl, Vera; Matuschek, Georg; Zimmermann, Ralf; Hoeschen, Christoph; de Angelis, Martin Hrabě; Rozman, Jan

    2017-12-06

    Volatile organic compounds (VOCs) from breath can successfully be used to diagnose disease-specific pathological alterations in metabolism. However, the exact origin and underlying biochemical pathways that could be mapped to VOC signatures are mainly unknown. There is a knowledge gap regarding the contribution of tissues, organs, the gut microbiome, and exogenous factors to the 'sum signal' from breath samples. Animal models for human disease such as mutant mice provide the possibility to reproduce genetic predisposition to disease, thereby allowing in-depth analysis of metabolic and biochemical functions. We hypothesized that breath VOCs can be traced back to origins and organ-specific metabolic functions by combining breath concentrations with systemic levels detected in different organs and biological media (breath, blood, feces and urine). For this we fed C57Bl/6N mice a grain-based chow or a purified low-fat diet, thereby modifying the emission of methanol in breath whereas acetone levels were unaffected. We then measured headspace concentrations of both VOCs in ex vivo samples of several biological media. Cecum content especially was identified as a likely source of systemic methanol, whereas the liver showed highest acetone concentrations. Our findings are a first step to the systemic mapping of VOC patterns to metabolic functions in mice because differences between VOCs could be traced to different sources in the body. As a future aim, different levels of so-called omics technologies (genomics, proteomics, metabolomics, and breathomics) could be mapped to metabolic pathways in multiple tissues, deepening our understanding of VOC metabolism and possibly leading to early non-invasive biomarkers for human pathologies.

  1. Enzymology of acetone-butanol-isopropanol formation. Final technical report, June 1, 1985--July 31, 1997

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Jiann-Shin

    1998-03-01

    Several species of anaerobic bacteria within the genus Clostridium produce acetone, n-butanol, and isopropanol (solvents), which are important industrial chemicals and fuel additives. Commercial production of solvents by the clostridia is a classical example of largescale chemical production by bacterial fermentation. Although the fermentation has been in use for decades, it still faces problems that include strain degeneration, a relatively low final product concentration due to butanol toxicity, and a need to fine-tune the growth conditions to achieve a high yield. The long-term goal of this project was to understand the fundamental properties of bacterial solvent production for the purpose of achieving a positive control on the metabolic switch leading to solvent production and on the proportion of useful products formed as well as of developing strategies for preventing the degeneration of producing strains. The objectives for the project included those approved in 1985 for the initial project period and those approved in 1988, 1991, and 1994 when the project was renewed. The objectives for the entire project period may be summarized as (1) To purify and characterize the enzymes that are specifically required for the formation of acetone, butanol, and isopropanol by the clostridia, (2) To clone and characterize the genes that encode enzymes or regulatory proteins for the production of solvents, and the emphasis was to determine the control mechanism for the transcription of the solvent-production genes, (3) To characterize the onset of solvent production and the intra- and extra-cellular parameters surrounding the metabolic switch to solvent production, and (4) To determine the genetic identity of the strains of solvent-producing clostridia that are currently in use by investigators around the world.

  2. Synthesis of Acetone-Derived C6 , C9 , and C12 Carbon Scaffolds for Chemical and Fuel Applications.

    Science.gov (United States)

    Moore, Cameron M; Jenkins, Rhodri W; Janicke, Michael T; Kubic, William L; Polikarpov, Evgueni; Semelsberger, Troy A; Sutton, Andrew D

    2016-12-20

    A simple, inexpensive catalyst system (Amberlyst 15 and Ni/SiO 2 -Al 2 O 3 ) is described for the upgrading of acetone to a range of chemicals and potential fuels. Stepwise hydrodeoxygenation of the produced ketones can yield branched alcohols, alkenes, and alkanes. An analysis of these products is provided, which demonstrates that this approach can provide a product profile of valuable bioproducts and potential biofuels. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Acetone-butanol-ethanol (ABE) fermentation in an immobilized cell trickle bed reactor.

    Science.gov (United States)

    Park, C H; Okos, M R; Wankat, P C

    1989-06-05

    Acetone-butanol-ethanol (ABE) fermentation was successfully carried out in an immobilized cell trickle bed reactor. The reactor was composed of two serial columns packed with Clostridium acetobutylicum ATCC 824 entrapped on the surface of natural sponge segments at a cell loading in the range of 2.03-5.56 g dry cells/g sponge. The average cell loading was 3.58 g dry cells/g sponge. Batch experiments indicated that a critical pH above 4.2 is necessary for the initiation of cell growth. One of the media used during continuous experiments consisted of a salt mixture alone and the other a nutrient medium containing a salt mixture with yeast extract and peptone. Effluent pH was controlled by supplying various fractions of the two different types of media. A nutrient medium fraction above 0.6 was crucial for successful fermentation in a trickle bed reactor. The nutrient medium fraction is the ratio of the volume of the nutrient medium to the total volume of nutrient plus salt medium. Supplying nutrient medium to both columns continuously was an effective way to meet both pH and nutrient requirement. A 257-mL reactor could ferment 45 g/L glucose from an initial concentration of 60 g/L glucose at a rate of 70 mL/h. Butanol, acetone, and ethanol concentrations were 8.82, 5.22, and 1.45 g/L, respectively, with a butanol and total solvent yield of 19.4 and 34.1 wt %. Solvent productivity in an immobilized cell trickle bed reactor was 4.2 g/L h, which was 10 times higher than that obtained in a batch fermentation using free cells and 2.76 times higher than that of an immobilized CSTR. If the nutrient medium fraction was below 0.6 and the pH was below 4.2, the system degenerated. Oxygen also contributed to the system degeneration. Upon degeneration, glucose consumption and solvent yield decreased to 30.9 g/L and 23.0 wt %, respectively. The yield of total liquid product (40.0 wt %) and butanol selectivity (60.0 wt %) remained almost constant. Once the cells were degenerated

  4. An in vitro study to evaluate the effect of two ethanol-based and two acetone-based dental bonding agents on the bond strength of composite to enamel treated with 10% carbamide peroxide

    Directory of Open Access Journals (Sweden)

    Deepa Basavaraj Benni

    2014-01-01

    Full Text Available Background and Objective: Carbamide peroxide bleaching has been implicated in adversely affecting the bond strength of composite to enamel. The objective of this in vitro study was to evaluate the effect of ethanol-based (Clearfil S 3 bond, Kuraray, Adper Single bond 2, 3M ESPE dental products and acetone-based (Prime and Bond NT, Dentsply, One Step, Bisco bonding agents on the shear bond strength of composite to enamel treated with 10% carbamide peroxide bleaching agent. Materials and Methods: A total of 120 extracted human noncarious permanent incisors were randomly divided into two groups (control and experimental. Experimental group specimens were subjected to a bleaching regimen with a 10% carbamide peroxide bleaching system (Opalescence; Ultradent Products Inc, South Jordan, USA. Composite resin cylinders were bonded to the specimens using four bonding agents and shear bond strength was determined with universal testing machine. Results: There was no statistically significant difference in the shear bond strength between control and experimental groups with both ethanol-based (Clearfil S 3 Bond and Adper Single Bond 2 and acetone-based bonding agent (Prime and Bond NT and One Step. Interpretation and Conclusion: The adverse effect of bleaching on bonding composite to enamel can be reduced or eliminated by using either ethanol- or acetone-based bonding agent. Clinical Significances: Immediate bonding following bleaching procedure can be done using ethanol- or acetone-based bonding agent without compromising bond strength.

  5. Poly (furfural-acetone) as New Adsorbent for Removal of Cu(II) from Aqueous Solution: Equilibrium Study

    OpenAIRE

    Najim, Tariq S.

    2010-01-01

    The batch removal of Cu(II) from aqueous solution using poly (furfural-acetone), (PFA) as adsorbent was investigated in this study. The influences of initial Cu(II) ion concentration (10 to 120 ppm), pH (4-8) and contact time have been reported. Adsorption of Cu(II) is highly pH-dependent and the result indicate that the optimum pH for the removal was found to be 6. At this pH a small amount of PFA, 2 g/L, could remove as much as 97% of Cu(II) from a solution of initial concentration 10 ppm....

  6. Measurements of the Weak UV Absorptions of Isoprene and Acetone at 261–275 nm Using Cavity Ringdown Spectroscopy for Evaluation of a Potential Portable Ringdown Breath Analyzer

    Science.gov (United States)

    Sahay, Peeyush; Scherrer, Susan T.; Wang, Chuji

    2013-01-01

    The weak absorption spectra of isoprene and acetone have been measured in the wavelength range of 261–275 nm using cavity ringdown spectroscopy. The measured absorption cross-sections of isoprene in the wavelength region of 261–266 nm range from 3.65 × 10−21 cm2·molecule−1 at 261 nm to 1.42 × 10−21 cm2·molecule−1 at 266 nm; these numbers are in good agreement with the values reported in the literature. In the longer wavelength range of 270–275 nm, however, where attractive applications using a single wavelength compact diode laser operating at 274 nm is located, isoprene has been reported in the literature to have no absorption (too weak to be detected). Small absorption cross-sections of isoprene in this longer wavelength region are measured using cavity ringdown spectroscopy for the first time in this work, i.e., 6.20 × 10−23 cm2·molecule−1 at 275 nm. With the same experimental system, wavelength-dependent absorption cross-sections of acetone have also been measured. Theoretical detection limits of isoprene and comparisons of absorbance of isoprene, acetone, and healthy breath gas in this wavelength region are also discussed. PMID:23803787

  7. Fabrication of porous ethyl cellulose microspheres based on the acetone-glycerin-water ternary system: Controlling porosity via the solvent-removal mode.

    Science.gov (United States)

    Murakami, Masahiro; Matsumoto, Akihiro; Watanabe, Chie; Kurumado, Yu; Takama, Masashi

    2015-08-01

    Porous ethyl cellulose (EC) microspheres were prepared from the acetone-glycerin-water ternary system using an oil/water (O/W)-type emulsion solvent extraction method. The O/ W type emulsion was prepared using acetone dissolved ethyl cellulose as an oil phase and aqueous glycerin as a water phase. The effects of the different solvent extraction modes on the porosity of the microspheres were investigated. The specific surface area of the porous EC microspheres was estimated by the gas adsorption method. When the solvent was extracted rapidly by mixing the emulsion with water instantaneously, porous EC microspheres with a maximum specific surface area of 40.7±2.1 m2/g were obtained. On the other hand, when water was added gradually to the emulsion, the specific surface area of the fabricated microspheres decreased rapidly with an increase in the infusion period, with the area being 25-45% of the maximum value. The results of an analysis of the ternary phase diagram of the system suggested that the penetration of water and glycerin from the continuous phase to the dispersed phase before solidification affected the porosity of the fabricated EC microspheres.

  8. Density Functional Studies on the Complexation and Spectroscopy of Uranyl Ligated with Acetonitrile and Acetone Derivatives

    International Nuclear Information System (INIS)

    Schoendorff, George E.; Windus, Theresa L.; De Jong, Wibe A.

    2009-01-01

    The coordination of nitrile (acetonitrile, propionitrile, and benzonitrile) and carbonyl (formaldehyde, ethanal, and acetone) ligands to the uranyl dication (UO22+) has been examined using density functional theory (DFT) utilizing relativistic effective core potentials (RECPs). Complexes containing up to six ligands have been modeled for all ligands except formaldehyde, for which no minimum could be found. A comparison of relative binding energies indicates that five coordinate complexes are predominant while a six coordinate complex involving propionitrile ligands might be possible. Additionally, the relative binding energy and the weakening of the uranyl bond is related to the size of the ligand and, in general, nitriles bind more strongly to uranyl than carbonyls.

  9. A quantitative metabolomics study of high sodium response in Clostridium acetobutylicum ATCC 824 acetone-butanol-ethanol (ABE) fermentation

    Science.gov (United States)

    Zhao, Xinhe; Condruz, Stefan; Chen, Jingkui; Jolicoeur, Mario

    2016-01-01

    Hemicellulose hydrolysates, sugar-rich feedstocks used in biobutanol refinery, are normally obtained by adding sodium hydroxide in the hydrolyze process. However, the resulting high sodium concentration in the hydrolysate inhibits ABE (acetone-butanol-ethanol) fermentation, and thus limits the use of these low-cost feedstocks. We have thus studied the effect of high sodium on the metabolic behavior of Clostridium acetobutyricum ATCC 824, with xylose as the carbon source. At a threshold sodium concentration of 200 mM, a decrease of the maximum cell dry weight (−19.50 ± 0.85%) and of ABE yield (−35.14 ± 3.50% acetone, −33.37 ± 0.74% butanol, −22.95 ± 1.81% ethanol) were observed compared to control culture. However, solvents specific productivities were not affected by supplementing sodium. The main effects of high sodium on cell metabolism were observed in acidogenesis, during which we observed the accumulation of ATP and NADH, and the inhibition of the pentose phosphate (PPP) and the glycolytic pathways with up to 80.73 ± 1.47% and 68.84 ± 3.42% decrease of the associated metabolic intermediates, respectively. However, the NADP+-to-NADPH ratio was constant for the whole culture duration, a phenomenon explaining the robustness of solvents specific productivities. Therefore, high sodium, which inhibited biomass growth through coordinated metabolic effects, interestingly triggered cell robustness on solvents specific productivity. PMID:27321153

  10. HPLC-MS Determination of Acrolein and Acetone Generated from 13C3 -Labeled Glycerol Added to Cigarette Tobacco Using Two Machine-Smoking Regimes

    Directory of Open Access Journals (Sweden)

    Yip SH

    2014-12-01

    Full Text Available The extent of blend glycerol degradation in a burning cigarette to form acrolein and acetone has been quantitatively determined by the addition of glycerol-13C3 to three styles of a leading commercial cigarette brand. Multiple Cambridge pads soaked with a solution of 2,4-dinitrophenylhydrazine (DNPH were employed to trap hydrazone derivatives of low molecular weight carbonyl compounds in both mainstream and sidestream smoke. High performance liquid chromatography coupled with negative ion mass spectrometry was used to isolate DNPH derivatives of the volatile carbonyl products of combustion and to ascertain their concentration. Acrolein, acetone, and propionaldehyde were the principal compounds of interest. The DNPH derivatives of acrolein-13C3 and acetone-13C3 were independently synthesized, and they served as external standards for absolute quantitation. The cost of fully labeled propionaldehyde precluded its use in this study. The brand styles selected for study represent the cigarette design features that are most prevalent in the U.S. market today and afford a representative range of standardized “tar” yields (14, 10, and 5 mg/cig, respectively by the Cambridge Filter Method. The brand styles studied are part of a commercial cigarette brand family that does not contain additives to the tobacco blend, including glycerol. Mainstream smoke was generated by an automated smoking machine employing the standard Cambridge Filter Smoking Regime and a more intense regime requiring larger, more frequent puffs and 100% vent blocking that is specified for regulatory purposes by the Canadian federal government. The research indicated that only a small fraction of added glycerol (~0.25%-0.30%, w/w was converted to the two compounds of interest, with the larger portion generally observed in sidestream smoke. Less than 0.1% of the added glycerol was converted to acrolein in mainstream smoke for all cigarette designs and smoking regimes studied.

  11. Low Working-Temperature Acetone Vapor Sensor Based on Zinc Nitride and Oxide Hybrid Composites.

    Science.gov (United States)

    Qu, Fengdong; Yuan, Yao; Guarecuco, Rohiverth; Yang, Minghui

    2016-06-01

    Transition-metal nitride and oxide composites are a significant class of emerging materials that have attracted great interest for their potential in combining the advantages of nitrides and oxides. Here, a novel class of gas sensing materials based on hybrid Zn3 N2 and ZnO composites is presented. The Zn3 N2 /ZnO (ZnNO) composites-based sensor exhibits selectivity and high sensitivity toward acetone vapor, and the sensitivity is dependent on the nitrogen content of the composites. The ZnNO-11.7 described herein possesses a low working temperature of 200 °C. The detection limit (0.07 ppm) is below the diabetes diagnosis threshold (1.8 ppm). In addition, the sensor shows high reproducibility and long-term stability. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Temperature dependent selective detection of hydrogen and acetone using Pd doped WO3/reduced graphene oxide nanocomposite

    Science.gov (United States)

    Kaur, Jasmeet; Anand, Kanica; Kohli, Nipin; Kaur, Amanpreet; Singh, Ravi Chand

    2018-06-01

    Reduced graphene oxide (RGO) and Pd doped WO3 nanocomposites were fabricated by employing electrostatic interactions between poly (diallyldimethylammonium chloride) (PDDA) modified Pd doped WO3 nanostructures and graphite oxide (GO) and studied for their gas sensing application. XRD, Raman, FTIR, FESEM-EDX, TEM, TGA, XPS and Photoluminescence techniques were used for characterization of as-synthesized samples. Gas sensing studies revealed that the sensor with optimized doping of 1.5 mol% Pd and 1 wt% GO shows temperature dependent selectivity towards hydrogen and acetone. The role of WO3, Pd and RGO has been discussed in detail for enhanced sensing performance.

  13. Determination and quantification of the in vitro activity of Aloe marlothii (A. Berger subsp. marlothii and Elephantorrhiza elephantina (Burch. skeels acetone extracts against Ehrlichia ruminantium

    Directory of Open Access Journals (Sweden)

    V. Naidoo

    2006-09-01

    Full Text Available An Ehrlichia ruminantium culture system was utilized for the anti-rickettsial evaluation of two ethnoveterinary plants, Elephantorrhiza elephantina and Aloe marlothii. Well-established E. ruminantium cultures were incubated with the plant leaf acetone extracts and compared to oxytetracycline and untreated controls. Effectivity was established by comparing the percentage parasitised cells and the calculation of both EC50 and extrapolated EC90 in µg/ml. The plant extracts were also screened for antibacterial activity using bioautography. Elephantorrhiza elephantina and A. marlothii demonstrated anti-ehrlichial activity with an EC50 of 111.4 and 64.5 µg/ml and EC 90 of 228.9 and 129.9 µg/ml, respectively. The corresponding EC50 and EC90 for oxytetracycline was 0.29 and 0.08 µg/ml. Both plants appeared to produce their inhibitory activity by a similar mechanism, unrelated to that of the tetracyclines. Both the plant acetone extracts demonstrated antibacterial activity against Escherichia coli and Staphylococcus aureus (ATCC strains.

  14. Studies on the rates of exchange of Hg(II), Cd(II), La(III) and Ce(III) ions in sodium nitrite-aqueous acetone media using an anion-exchanger Dowex-1x8(NO3-)

    International Nuclear Information System (INIS)

    Bhatnagar, R.P.; Bhardwaj, Archana; Bhardwaj, S.D.

    1998-01-01

    Rate of exchange has been studied on Hg(II), Cd(II), La(III) and Ce(III) ions in sodium nitrite-aqueous acetone media using an anion exchanger Dowex-1 x 8(NO 3 - ). Acetone was used to provide solvent media of 10%, 30% and 50% and temperature was used in rate studies, carried out at 30 deg, 40 deg, 50 degC. Always 1 g. of Dowex-1x8 in nitrate form was used for distribution studies to get rate data. After suitable time intervals aliquots (1 ml) were withdrawn and metal ion concentration was found out. (author)

  15. A Theoretical Investigation of the Plausibility of Reactions Between Ammonia and Carbonyl Species (Formaldehyde, Acetaldehyde, and Acetone) in Interstellar Ice Analogs at Ultracold Temperatures

    Science.gov (United States)

    Chen, Lina; Woon, David E.

    2011-01-01

    We have reexamined the reaction between formaldehyde and ammonia, which was previously studied by us and other workers in modestly sized cluster calculations. Larger model systems with up to 12H2O were employed, and reactions of two more carbonyl species, acetaldehyde and acetone, were also carried out. Calculations were performed at the B3LYP/6-31+G** level with bulk solvent effects treated with a polarizable continuum model; limited MP2/6-31+G** calculations were also performed. We found that while the barrier for the concerted proton relay mechanism described in previous work remains modest, it is still prohibitively high for the reaction to occur under the ultracold conditions that prevail in dense interstellar clouds. However, a new pathway emerged in more realistic clusters that involves at least one barrierless step for two of the carbonyl species considered here: ammonia reacts with formaldehyde and acetaldehyde to form a partial charge transfer species in small clusters (4H2O) and a protonated hydroxyamino intermediate species in large clusters (9H2O, 12H2O); modest barriers that decrease sharply with cluster size are found for the analogous processes for the acetone-NH3 reaction. Furthermore, if a second ammonia replaces one of the water molecules in calculations in the 9H2O clusters, deprotonation can occur to yield the same neutral hydroxyamino species that is formed via the original concerted proton relay mechanism. In at least one position, deprotonation is barrierless when zero-point energy is included. In addition to describing the structures and energetics of the reactions between formaldehyde, acetaldehyde, and acetone with ammonia, we report spectroscopic predictions of the observable vibrational features that are expected to be present in ice mixtures of different composition.

  16. Pulse-radiolytic one-electron reduction of anthraquinone and chloro-anthraquinones in aqueous-isopropanol-acetone mixed solvent

    International Nuclear Information System (INIS)

    Rath, M.C.; Pal, H.; Mukherjee, T.

    1996-01-01

    One-electron reduction of 9,10-anthraquinone and some chloro-anthraquinones and the characteristics of the semiquinones thus formed have been investigated in aqueous-isipropanol-acetone mixed solvent using electron pulse radiolysis technique. Spectroscopic characteristics, kinetic parameters of formation and decay, and the acid/base behaviour of the semiquinones have been investigated. The one-electron reduction potential of the quinones have been measured following electron transfer equilibria with a reference redox system (methyl viologen) and the values thus obtained have been compared with those of some other anthrasemiquinone systems. An analysis of the characteristics of the semiquinones shows that α-chloro substituents adjacent to the C=O group act as electron withdrawing groups. (author)

  17. Industrial optimization of acetone-butanol fermentation: A study of the utilization of Jerusalem artichokes

    Energy Technology Data Exchange (ETDEWEB)

    Marchal, R.; Blanchet, D.; Vandecasteele, J.P.

    1985-12-01

    Acetone-butanol fermentation of the Jerusalem artichoke has been studied as a case for systematic investigation of the industrial optimization of both strain selection and fermentation operation. Hydrolysis of the inulinic oligofructans of the substrate was found necessary for optimal performance but could be achieved with a selected strain using a moderate amount of inulinase added at the beginning of the fermentation. Apart from ammonia, no nutritrional supplementation of the medium was found necessary. The marked influence of pH in the fermentation performance prompted a detailed search for a method of controlling pH during fermentation. With an optimized procedure, solvent production of 23-24 g/l were obtained in 36 h. Detailed fermentation balances are presented. An industrial process for ABE production from Jerusalem artichoke or sugar beet has been defined and tested in the pilot plant. (orig.).

  18. Concentration Dependences of the Surface Tension and Density of Solutions of Acetone-Ethanol-Water Systems at 293 K

    Science.gov (United States)

    Dadashev, R. Kh.; Dzhambulatov, R. S.; Mezhidov, V. Kh.; Elimkhanov, D. Z.

    2018-05-01

    Concentration dependences of the surface tension and density of solutions of three-component acetone-ethanol-water systems and the bounding binary systems at 273 K are studied. The molar volume, adsorption, and composition of surface layers are calculated. Experimental data and calculations show that three-component solutions are close to ideal ones. The surface tensions of these solutions are calculated using semi-empirical and theoretical equations. Theoretical equations qualitatively convey the concentration dependence of surface tension. A semi-empirical method based on the Köhler equation allows us to predict the concentration dependence of surface tension within the experimental error.

  19. Models construction for acetone-butanol-ethanol fermentations with acetate/butyrate consecutively feeding by graph theory.

    Science.gov (United States)

    Li, Zhigang; Shi, Zhongping; Li, Xin

    2014-05-01

    Several fermentations with consecutively feeding of acetate/butyrate were conducted in a 7 L fermentor and the results indicated that exogenous acetate/butyrate enhanced solvents productivities by 47.1% and 39.2% respectively, and changed butyrate/acetate ratios greatly. Then extracellular butyrate/acetate ratios were utilized for calculation of acids rates and the results revealed that acetate and butyrate formation pathways were almost blocked by corresponding acids feeding. In addition, models for acetate/butyrate feeding fermentations were constructed by graph theory based on calculation results and relevant reports. Solvents concentrations and butanol/acetone ratios of these fermentations were also calculated and the results of models calculation matched fermentation data accurately which demonstrated that models were constructed in a reasonable way. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Euglycemic Diabetic Ketoacidosis with Elevated Acetone in a Patient Taking a Sodium-Glucose Cotransporter-2 (SGLT2) Inhibitor.

    Science.gov (United States)

    Andrews, Tory J; Cox, Robert D; Parker, Christina; Kolb, James

    2017-02-01

    Sodium-glucose cotransporter-2 (SGLT2) inhibitor medications are a class of antihyperglycemic agents that increase urinary glucose excretion by interfering with the reabsorption of glucose in the proximal renal tubules. In May of 2015, the U.S. Food and Drug Administration released a warning concerning a potential increased risk of ketoacidosis and ketosis in patients taking these medications. We present a case of a 57-year-old woman with type 2 diabetes mellitus taking a combination of canagliflozin and metformin who presented with progressive altered mental status over the previous 2 days. Her work-up demonstrated a metabolic acidosis with an anion gap of 38 and a venous serum pH of 7.08. The serum glucose was 168 mg/dL. The urinalysis showed glucose > 500 mg/dL and ketones of 80 mg/dL. Further evaluation demonstrated an elevated serum osmolality of 319 mOsm/kg and an acetone concentration of 93 mg/dL. She was treated with intravenous insulin and fluids, and the metabolic abnormalities and her altered mental status resolved within 36 h. This was the first episode of diabetic ketoacidosis (DKA) for this patient. WHY SHOULD AN EMERGENCY PHYSICIAN BE AWARE OF THIS?: Diabetic patients on SGLT2 inhibitor medications are at risk for ketoacidosis. Due to the renal glucose-wasting properties of these drugs, they may present with ketoacidosis with only mild elevations in serum glucose, potentially complicating the diagnosis. Acetone is one of the three main ketone bodies formed during DKA and it may be present at considerable concentrations, contributing to the serum osmolality. Copyright © 2016 Elsevier Inc. All rights reserved.

  1. Soybean lecithin: acetone insoluble residue fractionation and their volatile components

    Directory of Open Access Journals (Sweden)

    Aly, Saadia M.

    2002-09-01

    Full Text Available The acetone insoluble residue was isolated from soybean lecithin. This residue was solvent fractionated resulted in four fractions, namely, acetic acid soluble, acetic acid insoluble, benzene phase and benzene insoluble phase. Concerning phospholipid constitution of these four fractions, it was found that the first fraction contains PC, PE and PI in percentages of 56.0, 21.6 and 19.0 respectively. The 2nd fraction makes 39 % PC and 60 % CER, besides some traces of PE and PI. The benzene phase is mainly all PC with some traces of PE. The last fraction is 80.6 % CER and 20 % PC. The fatty acid composition of these four fractions besides soluble in acetone, crude and degummed soybean oil and total phospholipids was recorded. Generally, it was found that the major saturated and unsaturated fatty acids were palmitic and linoleic. Volatile components of these samples except acetic acid insoluble were reported. Fourty nine compounds were separated. Thirty two components including aliphatic aldehydes, ketones, alcohols, esters and acids were identified. Aldehydes and ketones showed a changed through the seven samples. They increased by degumming.4,5-Dimethylelisoxazole had a strong lecithin like flavour, so it can be used as an indicator for the degumming process.2-Pentylfuran showed a significant decrease by degumming. Other compounds, such as esters and alcohols had no distinguish effect on the volatile products through process.El residuo insoluble en acetona fue aislado de la lecitina de soja. Este residuo fue fraccionado por solventes en cuatro fracciones: soluble en ácido acético, insoluble en ácido acético, fase benceno y fase insoluble en benceno. Concerniente a la constitución de los fosfolípidos de estas cuatro fracciones, se encontró que la primera fracción contiene PC, PE y PI en porcentajes del 56.0, 21.6 y 19.0 respectivamente. La segunda fracción tuvo 39 % PC y 60 % CER, junto a algunas trazas de PE y PI. La fase benceno est

  2. Propagation of evanescent waves in multimode chalcogenide fiber immersed in an aqueous acetone solution: theory and experiment

    Science.gov (United States)

    Korsakova, S. V.; Romanova, E. A.; Velmuzhov, A. P.; Kotereva, T. V.; Sukhanov, M. V.; Shiryaev, V. S.

    2017-04-01

    Chalcogenide fibers are considered as a base for creation of a fiber-optical platform for the mid-IR evanescent wave spectroscopy. In this work, transmittance of a multimode fiber made of Ge26As17Se25Te32 glass, immersed into an aqueous acetone solution was measured in the range of wavelengths 5 - 9 microns at various concentrations of the solution. A theoretical approach based on electromagnetic theory of optical fibers has been applied for analysis of evanescent modes propagation in the fiber. Attenuation coefficients calculated for each HE1m evanescent mode increase with the mode radial order m. This effect can be used for optimisation of the fiber-optic sensing elements for the mid-IR spectroscopy.

  3. Determination of the distribution coefficient of 46 elements on tin dioxide in 0.1N HNO3-acetone media

    International Nuclear Information System (INIS)

    Jaffrezic-Renault, N.

    1977-01-01

    The use of radioactive indicators for the determination of the distribution coefficients of 46 elements on SnO 2 in 0.1N HNO 3 -acetone media is described. The determination has been carried out in static conditions: labelled element solution has been agitated with SnO 2 for two hours; the elements have been labelled with radioisotopes generally obtained by (n, γ) reaction, by irradiating a part of the used salt in EL 3 or OSIRIS reactor in the C.E.N. Saclay (France). Results show that the elements may be classified into several groups, according to their oxidation state. (T.I.)

  4. Preparation of Curcumin Loaded Egg Albumin Nanoparticles Using Acetone and Optimization of Desolvation Process.

    Science.gov (United States)

    Aniesrani Delfiya, D S; Thangavel, K; Amirtham, D

    2016-04-01

    In this study, acetone was used as a desolvating agent to prepare the curcumin-loaded egg albumin nanoparticles. Response surface methodology was employed to analyze the influence of process parameters namely concentration (5-15%w/v) and pH (5-7) of egg albumin solution on solubility, curcumin loading and entrapment efficiency, nanoparticles yield and particle size. Optimum processing conditions obtained from response surface analysis were found to be the egg albumin solution concentration of 8.85%w/v and pH of 5. At this optimum condition, the solubility of 33.57%, curcumin loading of 4.125%, curcumin entrapment efficiency of 55.23%, yield of 72.85% and particles size of 232.6 nm were obtained and these values were related to the values which are predicted using polynomial model equations. Thus, the model equations generated for each response was validated and it can be used to predict the response values at any concentration and pH.

  5. Enhanced acetone-butanol-ethanol production from lignocellulosic hydrolysates by using starchy slurry as supplement.

    Science.gov (United States)

    Yang, Ming; Kuittinen, Suvi; Vepsäläinen, Jouko; Zhang, Junhua; Pappinen, Ari

    2017-11-01

    This study aims to improve acetone-butanol-ethanol production from the hydrolysates of lignocellulosic material by supplementing starchy slurry as nutrients. In the fermentations of glucose, xylose and the hydrolysates of Salix schwerinii, the normal supplements such as buffer, minerals, and vitamins solutions were replaced with the barley starchy slurry. The ABE production was increased from 0.86 to 14.7g/L by supplementation of starchy slurry in the fermentation of xylose and the utilization of xylose increased from 29% to 81%. In the fermentations of hemicellulosic and enzymatic hydrolysates from S. schwerinii, the ABE yields were increased from 0 and 0.26 to 0.35 and 0.33g/g sugars, respectively. The results suggested that the starchy slurry supplied the essential nutrients for ABE fermentation. The starchy slurry as supplement could improve the ABE production from both hemicellulosic and cellulosic hydrolysate of lignocelluloses, and it is particularly helpful for enhancing the utilization of xylose from hemicelluloses. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Sequential Condensation and Hydrodeoxygenation Reaction of Furfural-Acetone Adduct over Mix Catalysts Ni/SiO2 and Cu/SiO2 in Water

    Directory of Open Access Journals (Sweden)

    Siti Mariyah Ulfa

    2018-05-01

    Full Text Available Sequential condensation and hydrodeoxygenation reaction were perform using autoclave batch reactor in the presence of water as a solvent. The condensation of furfural and acetone was performed using MgO catalyst followed by hydrodeoxygenation using mix catalyst Ni/SiO2 and Cu/SiO2. The catalyst was prepared by wet-impregnation method and analyzed by XRD, SEM-EDX as well as BET surface. Condensation of furfural and acetone in 1:2 mol ratio was carried out by reflux gave 4-(2-furyl-3-buten-2-one and 1,5-bis-(2-furanyl-1,4-pentadien-3-one. The condensation product was then subjected for hydrodeoxygenation using batch reactor, catalyzed by mixed Ni/SiO2 and Cu/SiO2 at 150 and 180 °C for 2 h. The product identified as alkane derivatives with the conversion at 38.83 and 50.35%, respectively. The selectivity of hydrocarbon is 61.39% at 150 °C and 16.55% at 180 °C. Increasing the reaction temperature to 200 °C did not give any products except the recovery of the precursor. It showed that higher temperature enhanced the catalyst activity but the selectivity is controlled by low reaction temperature.

  7. GC-MS analysis of chemical compounds from acetone extract of Echium amoenum Fisch.

    Directory of Open Access Journals (Sweden)

    M.J. Chaichi

    2017-11-01

    Full Text Available Background and objectives: Plants play a significant role in the prevention and treatment of diseases and can even prevent and reduce the adverse effects of conventional treatments.  Echium amoenum Fisch is one of the most commonly used medicinal plants, and has long been used as a traditional herbal medicine for many diseases in Iran. Gas chromatography-mass spectrometry (GC-MS method can be an interesting tool for testing the amount of some active principles in herbs used in cosmetic, drugs, pharmaceutical or food industries. Methods: The flowers of Echium amoenum Fisch were collected, washed, shade dried, powdered and extracted with acetone using Soxhlet apparatus. The extract were concentrated and analyzed by GC-MS for the identification of chemical compounds present in the flowers of Echium amoenum. Results: The major compounds were pentacosane, tricosan, 2-pentanone-4-hydroxy-4-methyl and 3-hexene-2-one. Conclusion: Identification of these compounds in the plant serves as the basis in determining the possible health benefits of the plant leading to further biologic and pharmacologic studies.

  8. Improvement of the butanol production selectivity and butanol to acetone ratio (B:A) by addition of electron carriers in the batch culture of a new local isolate of Clostridium acetobutylicum YM1.

    Science.gov (United States)

    Nasser Al-Shorgani, Najeeb Kaid; Kalil, Mohd Sahaid; Wan Yusoff, Wan Mohtar; Shukor, Hafiza; Hamid, Aidil Abdul

    2015-12-01

    Improvement in the butanol production selectivity or enhanced butanol:acetone ratio (B:A) is desirable in acetone-butanol-ethanol (ABE) fermentation by Clostridium strains. In this study, artificial electron carriers were added to the fermentation medium of a new isolate of Clostridium acetobutylicum YM1 in order to improve the butanol yield and B:A ratio. The results revealed that medium supplementation with electron carriers changed the metabolism flux of electron and carbon in ABE fermentation by YM1. A decrease in acetone production, which subsequently improved the B:A ratio, was observed. Further improvement in the butanol production and B:A ratios were obtained when the fermentation medium was supplemented with butyric acid. The maximum butanol production (18.20 ± 1.38 g/L) was gained when a combination of methyl red and butyric acid was added. Although the addition of benzyl viologen (0.1 mM) and butyric acid resulted in high a B:A ratio of 16:1 (800% increment compared with the conventional 2:1 ratio), the addition of benzyl viologen to the culture after 4 h resulted in the production of 18.05 g/L butanol. Manipulating the metabolic flux to butanol through the addition of electron carriers could become an alternative strategy to achieve higher butanol productivity and improve the B:A ratio. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. A dynamic metabolic flux analysis of ABE (acetone-butanol-ethanol) fermentation by Clostridium acetobutylicum ATCC 824, with riboflavin as a by-product.

    Science.gov (United States)

    Zhao, Xinhe; Kasbi, Mayssa; Chen, Jingkui; Peres, Sabine; Jolicoeur, Mario

    2017-12-01

    The present study reveals that supplementing sodium acetate (NaAc) strongly stimulates riboflavin production in acetone-butanol-ethanol (ABE) fermentation by Clostridium acetobutylicum ATCC 824 with xylose as carbon source. Riboflavin production increased from undetectable concentrations to ∼0.2 g L -1 (0.53 mM) when supplementing 60 mM NaAc. Of interest, solvents production and biomass yield were also promoted with fivefold acetone, 2.6-fold butanol, and 2.4-fold biomass adding NaAc. A kinetic metabolic model, developed to simulate ABE biosystem, with riboflavin production, revealed from a dynamic metabolic flux analysis (dMFA) simultaneous increase of riboflavin (ribA) and GTP (precursor of riboflavin) (PurM) synthesis flux rates under NaAc supplementation. The model includes 23 fluxes, 24 metabolites, and 72 kinetic parameters. It also suggested that NaAc condition has first stimulated the accumulation of intracellular metabolite intermediates during the acidogenic phase, which have then fed the solventogenic phase leading to increased ABE production. In addition, NaAc resulted in higher intracellular levels of NADH during the whole culture. Moreover, lower GTP-to-adenosine phosphates (ATP, ADP, AMP) ratio under NaAc supplemented condition suggests that GTP may have a minor role in the cell energetic metabolism compared to its contribution to riboflavin synthesis. © 2017 Wiley Periodicals, Inc.

  10. Considerations for test design to accommodate energy-budget models in ecotoxicology: a case study for acetone in the pond snail Lymnaea stagnalis.

    Science.gov (United States)

    Barsi, Alpar; Jager, Tjalling; Collinet, Marc; Lagadic, Laurent; Ducrot, Virginie

    2014-07-01

    Toxicokinetic-toxicodynamic (TKTD) modeling offers many advantages in the analysis of ecotoxicity test data. Calibration of TKTD models, however, places different demands on test design compared with classical concentration-response approaches. In the present study, useful complementary information is provided regarding test design for TKTD modeling. A case study is presented for the pond snail Lymnaea stagnalis exposed to the narcotic compound acetone, in which the data on all endpoints were analyzed together using a relatively simple TKTD model called DEBkiss. Furthermore, the influence of the data used for calibration on accuracy and precision of model parameters is discussed. The DEBkiss model described toxic effects on survival, growth, and reproduction over time well, within a single integrated analysis. Regarding the parameter estimates (e.g., no-effect concentration), precision rather than accuracy was affected depending on which data set was used for model calibration. In addition, the present study shows that the intrinsic sensitivity of snails to acetone stays the same across different life stages, including the embryonic stage. In fact, the data on egg development allowed for selection of a unique metabolic mode of action for the toxicant. Practical and theoretical considerations for test design to accommodate TKTD modeling are discussed in the hope that this information will aid other researchers to make the best possible use of their test animals. © 2014 SETAC.

  11. Experimental investigation of a spark ignition engine fueled with acetone-butanol-ethanol and gasoline blends

    International Nuclear Information System (INIS)

    Li, Yuqiang; Meng, Lei; Nithyanandan, Karthik; Lee, Timothy H.; Lin, Yilu; Lee, Chia-fon F.; Liao, Shengming

    2017-01-01

    Bio-butanol is typically produced by acetone-butanol-ethanol (ABE) fermentation, however, the recovery of bio-butanol from the ABE mixture involves high costs and energy consumption. Hence it is of interest to study the intermediate fermentation product, i.e. ABE, as a potentially alternative fuel. In this study, an experimental investigation of the performance, combustion and emission characteristics of a port fuel-injection SI engine fueled with ABE-gasoline blends was carried out. By testing different ABE-gasoline blends with varying ABE content (0 vol%, 10 vol%, 30 vol% and 60 vol% referred to as G100, ABE10, ABE30 and ABE60), ABE formulation (A:B:E of 1:8:1, 3:6:1 and 5:4:1 referred to as ABE(181), ABE(361) and ABE(541)), and water content (0.5 vol% and 1 vol% water referred to as W0.5 and W1), it was found that ABE(361)30 performed well in terms of engine performance and emissions, including brake thermal efficiency (BTE), brake specific fuel consumption (BSFC), carbon monoxide (CO), unburned hydrocarbons (UHC) and nitrogen oxides (NO_x) emissions. Then, ABE(361)30 was compared with conventional fuels, including E30, B30 (30 vol% ethanol or butanol blended with gasoline) and pure gasoline (G100) under various equivalence ratios and engine loads. Overall, a higher BTE (0.2–1.4%) and lower CO (1.4–4.4%), UHC (0.3–9.9%) and NO_x (4.2–14.6%) emissions were observed for ABE(361)30 compared to those of G100 in some cases. Therefore, ABE could be a good alternative fuel to gasoline due to the environmentally benign manufacturing process (from non-edible biomass feedstock and without a recovery process), and the potential to improve energy efficiency and reduce pollutant emissions. - Highlights: • ABE (acetone-butanol-ethanol) was used as a green alternative fuel. • ABE-gasoline blends with various ratios of ABE, ABE component and water were test. • Combustion, performance and emissions characteristics were investigated. • Adding ABE into

  12. UVC-mutagenesis in acetogens: resistance to methanol, ethanol, acetone, or n-butanol in recombinants with tailored genomes as the step in engineering of commercial biocatalysts for continuous CO₂/H₂ blend fermentations.

    Science.gov (United States)

    Kiriukhin, Michael; Tyurin, Michael; Gak, Eugene

    2014-05-01

    Time- and cost-efficient six-step UVC-mutagenesis was developed and validated to generate acetogen mutants with preliminary reduced genomes to prevent product inhibition in the to-be-engineered commercial biocatalysts. Genome reduction was performed via elimination of pta, ack, spo0A, spo0J and some pro-phage genes. UVC-mutants such as Clostridium sp. MT1784RG, Clostridium sp. MT653RG, Clostridium sp. MT896RG, and Clostridium sp. MT1962RG (all 4 share 97 % DNA homology with Clostridium ljungdahlii ATCC 55383) were selected based on resistance to methanol (3 M), ethanol (3.6 M), acetone (2.5 M), or n-butanol (0.688 M), respectively. As a part of the biocatalyst engineering algorithm, genome reduction step was associated with integration of attTn7 recognition sequence to the chromosomes of each of the above strains to prepare the defined integration sites for future integration of multi-copy synthetic operons encoding biosynthesis of methanol, ethanol, acetone or n-butanol. Reduced genome mutants had cell duplication times decreased compared to the same for the respective parental strains. All groups of mutants had decreased share of palmitic (C16:0) and increased share of oleic (C18:1) acids along with detection of isopropylstearate (C20) compared to the parental strains. Mutants resistant to acetone and n-butanol also had monounsaturated fatty acid (C20:1) not found in parental strains. Cyclopropane fatty acid (C21) was identified only in n-butanol resistant mutants.

  13. Acetone facilitated DNA sampling from electrical tapes improves DNA recovery and enables latent fingerprints development.

    Science.gov (United States)

    Feine, Ilan; Shpitzen, Moshe; Geller, Boris; Salmon, Eran; Peleg, Tsach; Roth, Jonathan; Gafny, Ron

    2017-07-01

    Electrical tapes (ETs) are a common component of improvised explosive devices (IEDs) used by terrorists or criminal organizations and represent a valuable forensic resource for DNA and latent fingerprints recovery. However, DNA recovery rates are typically low and usually below the minimal amount required for amplification. In addition, most DNA extraction methods are destructive and do not allow further latent fingerprints development. In the present study a cell culture based touch DNA model was used to demonstrate a two-step acetone-water DNA recovery protocol from ETs. This protocol involves only the adhesive side of the ET and increases DNA recovery rates by up to 70%. In addition, we demonstrated partially successful latent fingerprints development from the non-sticky side of the ETs. Taken together, this protocol maximizes the forensic examination of ETs and is recommended for routine casework processing. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Kinetic Model of Resin-Catalyzed Decomposition of Acetone Cyanohydrin in Organic Solvent%有机溶剂中树脂催化丙酮氰醇分解反应的动力学模型

    Institute of Scientific and Technical Information of China (English)

    章亭洲; 杨立荣; 朱自强; 吴坚平

    2003-01-01

    Decomposition of acetone cyanohydrin is the first-step reaction for preparing (S)-α-cyano-3-phenoxybenzyl alcohol (CPBA) by the one-pot method in organic media. Considering the compatibility of bio-catalysts with chemical catalysts and the successive operation in the bioreactor, anion exchange resin (D301) wasused as catalyst for this reaction. External diffusion limitation was excluded by raising rotational speed to higherthan 190r@min-1 in both solvents. Internal diffusion limitation was verified to be insignificant in this reactionsystem. The effect of acetone cyanohydrin concentration on the reaction was also investigated. An intrinsic kineticmodel was proposed when the mass transfer limitation was excluded, and the average deviation of the model is10.5%.

  15. Investigation of toxic effects of imidazolium ionic liquids, [bmim][BF4] and [omim][BF4], on marine mussel Mytilus galloprovincialis with or without the presence of conventional solvents, such as acetone.

    Science.gov (United States)

    Tsarpali, Vasiliki; Belavgeni, Alexia; Dailianis, Stefanos

    2015-07-01

    This study investigated the cytotoxic, oxidative and genotoxic effects of two commonly used imidazolium ionic liquids (ILs), [bmim][BF4] (1-butyl-3-methylimidazolium) and [omim][BF4] (1-methyl-3-octylimidazolium tetrafluoroborate), on the marine mussel Mytilus galloprovincialis, as well as whether acetone could mediate their toxic profile. In this context, mussels were firstly exposed to different concentrations of [bmim][BF4] or [omim][BF4], with or without the presence of acetone (at a final concentration of 0.06% v/v), for a period of 96h, in order to determine the concentration that causes 50% mussel mortality (LC50 values) in each case. Thereafter, mussels were exposed to sub- and non-lethal concentrations of ILs for investigating their ability to cause lysosomal membrane impairment (with the use of neutral red retention assay/NRRT), superoxide anion and lipid peroxidation byproduct (malondialdehyde/MDA) formation, as well as DNA damage and formation of nuclear abnormalities in hemocytes. The results showed that [omim][BF4] was more toxic than [bmim][BF4] in all cases, while the presence of acetone resulted in a slight attenuation of its toxicity. The different toxic behavior of ILs was further revealed by the significantly lower levels of NRRT values observed in [omim][BF4]-treated mussels, compared to those occurring in [bmim][BF4] in all cases. Similarly, [bmim][BF4]-mediated oxidative and genotoxic effects were observed only in the highest concentration tested (10mgL(-1)), while [omim][BF4]-mediated effects were enhanced at lower concentrations (0.01-0.05mgL(-1)). Overall, the present study showed that [bmim][BF4] and [omim][BF4] could induce not only lethal but also nonlethal effects on mussel M. galloprovincialis. The extent of [bmim][BF4] and/or [omim][BF4]-mediated effects could be ascribed to the length of each IL alkyl chain, as well as to their lipophilicity. Moreover, the role of acetone on the obtained toxic effects of the specific ILs was

  16. Optical properties of Germanium nanoparticles synthesized by pulsed laser ablation in acetone

    Directory of Open Access Journals (Sweden)

    Saikiran eVadavalli

    2014-10-01

    Full Text Available Germanium (Ge nanoparticles (NPs are synthesized by means of pulsed laser ablation of bulk germanium target immersed in acetone with ns laser pulses at different pulse energies. The fabricated NPs are characterized by employing different techniques such as UV-visible absorption spectroscopy, photoluminescence, micro-Raman spectroscopy, transmission electron microscopy (TEM and field emission scanning electron microscopy (FESEM. The mean size of the Ge NPs is found to vary from few nm to 40 nm with the increase in laser pulse energy. Shift in the position of the absorption spectra is observed and also the photoluminescence peak shift is observed due to quantum confinement effects. High resolution TEM combined with micro-Raman spectroscopy confirms the crystalline nature of the generated germanium nanoparticles. The formation of various sizes of germanium NPs at different laser pulse energies is evident from the asymmetry in the Raman spectra and the shift in its peak position towards the lower wavenumber side. The FESEM micrographs confirm the formation of germanium micro/nanostructures at the laser ablated position of the bulk germanium. In particular, the measured NP sizes from the micro-Raman phonon quantum confinement model are found in good agreement with TEM measurements of Ge NPs.

  17. Acetone-butanol fermentation of lignocellulosic hydrolysates for the butanol production

    Science.gov (United States)

    Morozova, Tatyana; Semyonov, Sergey

    2017-11-01

    It is known that the use of lignocellulosic hydrolysates reduces the production cost of biofuel such as biobutanol and bioethanol. But for the most successful application of the hydrolysates for the biofuel production, it is necessary to apply an inexpensive and effective detoxification method and to use of cost-effective growth factors. In the present study, we evaluated the use of an acid hydrolysate of spruce and an enzymatic hydrolysate of miscanthus cellulose for the biobutanol production. To remove inhibitors from the hydrolysates, we applied the traditional physicochemical method with overliming and the biodetoxification method based on the use of the specially adapted activated sludge. Calcium hydroxide (150 g/L) was used for the neutralization. The biological method of detoxification of lignocellulosic hydrolysates was carried out under non-sterile conditions at room temperature by the specially adapted activated sludge of the urban wastewater treatment plants. The acetone-butanol fermentation was carried out by a strain of bacteria Clostridium acetobutylicum ATCC 824. The treatment by overliming removed 84-85 % and 83-86% of 5-hydroxymethylfurfural (5-HMF) and furfural from the hydrolysates respectively. Using the method of biodetoxification the content of furfural decreased by 98% and concentration of 5-HMF - by 97-99%. In the present study as an inexpensive source of growth substances for the fermentation of the hydrolysates it has been suggested to use decantate of the brewer's spent grain. The obtained results showed that the brewer's spent grain can be used in the biofuel production as efficiently as the synthetic growth substances.

  18. Addition of urea and thiourea to electrophoresis sample buffer improves efficiency of protein extraction from TCA/acetone-treated smooth muscle tissues for phos-tag SDS-PAGE.

    Science.gov (United States)

    Takeya, Kosuke; Kaneko, Toshiyuki; Miyazu, Motoi; Takai, Akira

    2018-01-01

    Phosphorylation analysis by using phos-tag technique has been reported to be suitable for highly sensitive quantification of smooth muscle myosin regulatory light chain (LC 20 ) phosphorylation. However, there is another factor that will affect the sensitivity of phosphorylation analysis, that is, protein extraction. Here, we optimized the conditions for total protein extraction out of trichloroacetic acid (TCA)-fixed tissues. Standard SDS sample buffer extracted less LC 20 , actin and myosin phosphatase targeting subunit 1 (MYPT1) from TCA/acetone treated ciliary muscle strips. On the other hand, sample buffer containing urea and thiourea in addition to lithium dodecyl sulfate (LDS) or SDS extracted those proteins more efficiently, and thus increased the detection sensitivity up to 4-5 fold. Phos-tag SDS-PAGE separated dephosphorylated and phosphorylated LC 20 s extracted in LDS/urea/thiourea sample buffer to the same extent as those in standard SDS buffer. We have concluded that LDS (or SDS) /urea/thiourea sample buffer is suitable for highly sensitive phosphorylation analysis in smooth muscle, especially when it is treated with TCA/acetone. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Acetone-butanol-ethanol from sweet sorghum juice by an immobilized fermentation-gas stripping integration process.

    Science.gov (United States)

    Cai, Di; Wang, Yong; Chen, Changjing; Qin, Peiyong; Miao, Qi; Zhang, Changwei; Li, Ping; Tan, Tianwei

    2016-07-01

    In this study, sweet sorghum juice (SSJ) was used as the substrate in a simplified ABE fermentation-gas stripping integration process without nutrients supplementation. The sweet sorghum bagasse (SSB) after squeezing the fermentable juice was used as the immobilized carrier. The results indicated that the productivity of ABE fermentation process was improved by gas stripping integration. A total 24g/L of ABE solvents was obtained from 59.6g/L of initial sugar after 80h of fermentation with gas stripping. Then, long-term of fed-batch fermentation with continuous gas stripping was further performed. 112.9g/L of butanol, 44.1g/L of acetone, 9.5g/L of ethanol (total 166.5g/L of ABE) was produced in overall 312h of fermentation. At the same time, concentrated ABE product was obtained in the condensate of gas stripping. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Self-organization of nickel nanoparticles dispersed in acetone: From separate nanoparticles to three-dimensional superstructures

    Directory of Open Access Journals (Sweden)

    I. Hernández-Pérez

    2017-02-01

    Full Text Available Sonochemical synthesis of monodisperse nickel nanoparticles (Ni-NPs by reduction of Ni acetylacetonate in the presence of polyvinylpyrrolidone stabilizer is reported. The Ni-NPs size is readily controlled to 5 nanometer diameter with a standard deviation of less than 5%. The as-prepared Ni-NPs sample was dispersed in acetone, for 4 weeks. For structural analysis was not applied to a magnetic field or heat treatment as key methods to direct the assembly. The transition from separate Ni-NPs into self-organization of three dimensions (3D superstructures was studied by electron microscopy. Experimental analysis suggests that the translation and rotation movement of the Ni-NPs are governed by magnetic frustration which promotes the formation of different geometric arrangements in two dimensions (2D. The formation of 3D superstructures is confirmed from scanning electron microscopy revealing a layered domain that consists of staking of several monolayers having multiple well-defined supercrystalline domains, enabling their use for optical, electronic and sensor applications.

  1. Analytical Method Development and Validation for the Quantification of Acetone and Isopropyl Alcohol in the Tartaric Acid Base Pellets of Dipyridamole Modified Release Capsules by Using Headspace Gas Chromatographic Technique

    Directory of Open Access Journals (Sweden)

    Sriram Valavala

    2018-01-01

    Full Text Available A simple, sensitive, accurate, robust headspace gas chromatographic method was developed for the quantitative determination of acetone and isopropyl alcohol in tartaric acid-based pellets of dipyridamole modified release capsules. The residual solvents acetone and isopropyl alcohol were used in the manufacturing process of the tartaric acid-based pellets of dipyridamole modified release capsules by considering the solubility of the dipyridamole and excipients in the different manufacturing stages. The method was developed and optimized by using fused silica DB-624 (30 m × 0.32 mm × 1.8 µm column with the flame ionization detector. The method validation was carried out with regard to the guidelines for validation of analytical procedures Q2 demanded by the International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH. All the validation characteristics were meeting the acceptance criteria. Hence, the developed and validated method can be applied for the intended routine analysis.

  2. Potentiometric investigations of (acid+base) equilibria in (n-butylamine+acetic acid) systems in binary (acetone+cyclohexane) solvent mixtures

    International Nuclear Information System (INIS)

    Czaja, MaIgorzata; Kozak, Anna; Makowski, Mariusz; Chmurzynski, Lech

    2005-01-01

    By using the potentiometric titration method, standard equilibrium constants have been determined of acid dissociation of molecular acid, K a (HA), cationic acid, K a (BH + ), of anionic and cationic homoconjugation, K AHA - andK BHB + , respectively, and of molecular heteroconjugation, K AHB (K BHA ), in (acid+base) systems without proton transfer consisting of n-butylamine and acetic acid in binary (acetone+cyclohexane) solvent mixtures. The results have shown that both the pK a (HA) and pK a (BH + ), as well as lgK AHA - values change non-linearly as a function of composition of the solvent mixture. On the other hand, standard molecular heteroconjugation constants without proton transfer do not depend on the cyclohexane content in the mixture, i.e. on solvent polarity

  3. Investigation of toxic effects of imidazolium ionic liquids, [bmim][BF{sub 4}] and [omim][BF{sub 4}], on marine mussel Mytilus galloprovincialis with or without the presence of conventional solvents, such as acetone

    Energy Technology Data Exchange (ETDEWEB)

    Tsarpali, Vasiliki; Belavgeni, Alexia; Dailianis, Stefanos, E-mail: sdailianis@upatras.gr

    2015-07-15

    Highlights: • The toxic effects of [bmim][BF{sub 4}] and [omim][BF{sub 4}] on mussels were investigated. • Both ILs could induce lethal and nonlethal effects on Mytilus galloprovincialis. • Different extent of IL-mediated adverse effects was observed in mussel hemocytes. • The alkyl chain length and lipophilicity of ILs are crucial for their toxicity. • Acetone influences the oxidative and genotoxic effects of [omim][BF{sub 4}]. - Abstract: This study investigated the cytotoxic, oxidative and genotoxic effects of two commonly used imidazolium ionic liquids (ILs), [bmim][BF{sub 4}] (1-butyl-3-methylimidazolium) and [omim][BF{sub 4}] (1-methyl-3-octylimidazolium tetrafluoroborate), on the marine mussel Mytilus galloprovincialis, as well as whether acetone could mediate their toxic profile. In this context, mussels were firstly exposed to different concentrations of [bmim][BF{sub 4}] or [omim][BF{sub 4}], with or without the presence of acetone (at a final concentration of 0.06% v/v), for a period of 96 h, in order to determine the concentration that causes 50% mussel mortality (LC{sub 50} values) in each case. Thereafter, mussels were exposed to sub- and non-lethal concentrations of ILs for investigating their ability to cause lysosomal membrane impairment (with the use of neutral red retention assay/NRRT), superoxide anion and lipid peroxidation byproduct (malondialdehyde/MDA) formation, as well as DNA damage and formation of nuclear abnormalities in hemocytes. The results showed that [omim][BF{sub 4}] was more toxic than [bmim][BF{sub 4}] in all cases, while the presence of acetone resulted in a slight attenuation of its toxicity. The different toxic behavior of ILs was further revealed by the significantly lower levels of NRRT values observed in [omim][BF{sub 4}]-treated mussels, compared to those occurring in [bmim][BF{sub 4}] in all cases. Similarly, [bmim][BF{sub 4}]-mediated oxidative and genotoxic effects were observed only in the highest

  4. Does acetone react with HO2 in the upper-troposphere?

    Directory of Open Access Journals (Sweden)

    J. Lelieveld

    2012-02-01

    Full Text Available Recent theoretical calculations showed that reaction with HO2 could be an important sink for acetone (CH3C(OCH3 and source of acetic acid (CH3C(OOH in cold parts of the atmosphere (e.g. the tropopause region. This work details studies of HO2 + CH3C(OCH3 (CH32C(OHOO (R1 in laboratory-based and theoretical chemistry experiments; the atmospheric significance of Reaction (R1 was assessed in a global 3-D chemical model. Pulsed laser-kinetic experiments were conducted, for the first time, at the low-temperatures representative of the tropopause. Reaction with NO converted HO2 to OH for detection by laser induced fluorescence. Reduced yields of OH at T 2 by CH3C(OCH3 with a forward rate coefficient greater than 2 × 10−12 cm3 molecule−1 s−1. No evidence for Reaction (R1 was observed at T > 230 K, probably due to rapid thermal dissociation back to HO2 + CH3C(OCH3. Numerical simulations of the data indicate that these experiments were sensitive to only (R1a HO2-CH3C(OCH3 complex formation, the first step in (R1. Rearrangement (R1b of the complex to form peroxy radicals, and hence the atmospheric significance of (R1 has yet to be rigorously verified by experiment. Results from new quantum chemical calculations indicate that K1 is characterised by large uncertainties of at least an order of magnitude at T 3C(OCH3 near the tropopause, it cannot explain observations of CH3C(OOH throughout the troposphere.

  5. Integrated, systems metabolic picture of acetone-butanol-ethanol fermentation by Clostridium acetobutylicum.

    Science.gov (United States)

    Liao, Chen; Seo, Seung-Oh; Celik, Venhar; Liu, Huaiwei; Kong, Wentao; Wang, Yi; Blaschek, Hans; Jin, Yong-Su; Lu, Ting

    2015-07-07

    Microbial metabolism involves complex, system-level processes implemented via the orchestration of metabolic reactions, gene regulation, and environmental cues. One canonical example of such processes is acetone-butanol-ethanol (ABE) fermentation by Clostridium acetobutylicum, during which cells convert carbon sources to organic acids that are later reassimilated to produce solvents as a strategy for cellular survival. The complexity and systems nature of the process have been largely underappreciated, rendering challenges in understanding and optimizing solvent production. Here, we present a system-level computational framework for ABE fermentation that combines metabolic reactions, gene regulation, and environmental cues. We developed the framework by decomposing the entire system into three modules, building each module separately, and then assembling them back into an integrated system. During the model construction, a bottom-up approach was used to link molecular events at the single-cell level into the events at the population level. The integrated model was able to successfully reproduce ABE fermentations of the WT C. acetobutylicum (ATCC 824), as well as its mutants, using data obtained from our own experiments and from literature. Furthermore, the model confers successful predictions of the fermentations with various network perturbations across metabolic, genetic, and environmental aspects. From foundation to applications, the framework advances our understanding of complex clostridial metabolism and physiology and also facilitates the development of systems engineering strategies for the production of advanced biofuels.

  6. Peculiar behavior of MWW materials in aldol condensation of furfural and acetone.

    Science.gov (United States)

    Kikhtyanin, Oleg; Chlubná, Pavla; Jindrová, Tereza; Kubička, David

    2014-07-21

    MWW family of different structural types (MCM-22, MCM-49, MCM-56 and MCM-36) was used as catalysts for aldol condensation of furfural and acetone studied in a batch reactor at 100 °C, autogenous pressure and a reaction time of 0-4 h. To establish a relation between physico-chemical and catalytic properties of microporous materials, the samples were characterized by XRD, SEM, N2 adsorption, FTIR and TGA. It was found that the acidic solids possessed appreciable activity in the reaction and resulted in the formation of products of aldehyde-ketone interaction. Surprisingly, MCM-22 and MCM-49, i.e. three-dimensional materials containing internal supercages, exhibited higher activity than two MCM-36 catalysts with two-dimensional character having larger accessible external surface area due to expansion of the interlayer space by swelling and pillaring treatments. Moreover, all MWW family catalysts gave higher conversion than the large-pore zeolite BEA. Nevertheless, furfural conversion decreased rapidly for all the studied materials due to coke formation. Unexpectedly, the deactivation was found to be more severe for MCM-36 catalysts than for MCM-22 and MCM-49, which was attributed to the reaction taking place also in supercages that are protected by 10-ring channels from severe coking. In contrast the cups located on the external surface were coked rapidly.

  7. Testing the coherence between occupational exposure limits for inhalation and their biological limit values with a generalized PBPK-model: the case of 2-propanol and acetone.

    Science.gov (United States)

    Huizer, Daan; Huijbregts, Mark A J; van Rooij, Joost G M; Ragas, Ad M J

    2014-08-01

    The coherence between occupational exposure limits (OELs) and their corresponding biological limit values (BLVs) was evaluated for 2-propanol and acetone. A generic human PBPK model was used to predict internal concentrations after inhalation exposure at the level of the OEL. The fraction of workers with predicted internal concentrations lower than the BLV, i.e. the 'false negatives', was taken as a measure for incoherence. The impact of variability and uncertainty in input parameters was separated by means of nested Monte Carlo simulation. Depending on the exposure scenario considered, the median fraction of the population for which the limit values were incoherent ranged from 2% to 45%. Parameter importance analysis showed that body weight was the main factor contributing to interindividual variability in blood and urine concentrations and that the metabolic parameters Vmax and Km were the most important sources of uncertainty. This study demonstrates that the OELs and BLVs for 2-propanol and acetone are not fully coherent, i.e. enforcement of BLVs may result in OELs being violated. In order to assess the acceptability of this "incoherence", a maximum population fraction at risk of exceeding the OEL should be specified as well as a minimum level of certainty in predicting this fraction. Copyright © 2014 Elsevier Inc. All rights reserved.

  8. A comparative study on two explosive acetone peroxides

    Energy Technology Data Exchange (ETDEWEB)

    Egorshev, V. Yu.; Sinditskii, V.P., E-mail: vps@rctu.ru; Smirnov, S.P.

    2013-12-20

    Highlights: • The most accurate heats of DADP and TATP sublimation were evaluated from experimental vapor pressures in a widened temperature range. • DADP is more volatile while more thermally stable peroxide than TATP. • DADP reveals lesser sensitivity to drop-weight impact, flame temperature, burning rate, and initiating efficiency as compared with TATP. - Abstract: Two explosive cyclic acetone peroxides, diacetone diperoxide (DADP) and triacetone triperoxide (TATP) have been studied in respect of thermal decomposition, burning behavior, impact sensitivity, and initiating efficiency. Using the glass Bourdon gauge technique, the vapor pressures of TATP and DADP were determined over the temperature range 75–144 °C and 67–120 °C, respectively. The kinetic parameters of decomposition of the peroxides in the gas phase have been obtained in the temperature interval of 140–200 °C. The decomposition of both DADP and TATP followed the first-order reaction to high degrees of decay with close activation energies of 159.2 kJ/mol (38.0 kcal/mol) and 165.8 kJ/mol (39.6 kcal/mol), respectively. The decomposition rate constants of DADP were found to be approximately 2 times less than those of TATP. The linear burning rate of DADP measured in a constant-pressure window bomb appeared to be approximately 5 times less than that of TATP. Temperature profiles in the combustion wave were measured at subatmospheric pressures with the help of thin tungsten-rhenium thermocouples. The leading reaction on combustion of both volatile peroxides was assumed to occur in the gas phase. Kinetic parameters of the leading reaction derived from the combustion data showed a good agreement with kinetic parameters of low-temperature thermal decomposition extrapolated to the high-temperature flame zone. In the drop-weight impact test, DADP appeared to be notably less sensitive peroxide than TATP. No deflagration-to-detonation transition was observed when RDX was attempted to explode by

  9. Investigating the Impact of Acetone Vapor Smoothing on the Strength and Elongation of Printed ABS Parts

    Science.gov (United States)

    Gao, Harry; Kaweesa, Dorcas V.; Moore, Jacob; Meisel, Nicholas A.

    2017-03-01

    Acetone vapor smoothing is a chemical treatment that "melts" the surface of additively manufactured acrylonitrile butadiene styrene parts. The process fuses layers together and allows them to reform when vapor is removed, resulting in a smooth surface finish. Although commonly used to improve aesthetics, recent work has begun to investigate the effects of vapor smoothing on part strength. Nevertheless, most of this work has failed to take into account the anisotropic nature of printed parts. Prior research has shown that vapor smoothing reduces strength under best-case loading conditions, when the tensile load is parallel with the direction of the layers. In this article, the authors hypothesize that vapor smoothing may increase strength under nonoptimal loading conditions as a result of increased cohesion between layers and a reduction in stress concentrations. They use a design of experiments approach to identify the combined impact of printing and vapor smoothing parameters on part material properties.

  10. Efficient production of acetone-butanol-ethanol (ABE) from cassava by a fermentation-pervaporation coupled process.

    Science.gov (United States)

    Li, Jing; Chen, Xiangrong; Qi, Benkun; Luo, Jianquan; Zhang, Yuming; Su, Yi; Wan, Yinhua

    2014-10-01

    Production of acetone-butanol-ethanol (ABE) from cassava was investigated with a fermentation-pervaporation (PV) coupled process. ABE products were in situ removed from fermentation broth to alleviate the toxicity of solvent to the Clostridium acetobutylicum DP217. Compared to the batch fermentation without PV, glucose consumption rate and solvent productivity increased by 15% and 21%, respectively, in batch fermentation-PV coupled process, while in continuous fermentation-PV coupled process running for 304 h, the substrate consumption rate, solvent productivity and yield increased by 58%, 81% and 15%, reaching 2.02 g/Lh, 0.76 g/Lh and 0.38 g/g, respectively. Silicalite-1 filled polydimethylsiloxane (PDMS)/polyacrylonitrile (PAN) membrane modules ensured media recycle without significant fouling, steadily generating a highly concentrated ABE solution containing 201.8 g/L ABE with 122.4 g/L butanol. After phase separation, a final product containing 574.3g/L ABE with 501.1g/L butanol was obtained. Therefore, the fermentation-PV coupled process has the potential to decrease the cost in ABE production. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. The acetone bandpass detector for inverse photoemission: operation in proportional and Geiger–Müller modes

    Science.gov (United States)

    Thiede, Christian; Niehues, Iris; Schmidt, Anke B.; Donath, Markus

    2018-06-01

    Inverse photoemission is the most versatile experimental tool to study the unoccupied electronic structure at surfaces of solids. Typically, the experiments are performed in the isochromat mode with bandpass photon detectors. For gas-filled counters, the bandpass behavior is realized by the combination of the photoionization threshold of the counting gas as the high-pass filter and the ultraviolet transmission cutoff of an alkaline earth fluoride entrance window as the low-pass filter. The transmission characteristics of the entrance window determine the optical bandpass. The performance of the counter depends on the composition of the detection gas and the fill-gas pressure, the readout electronics and the counter geometry. For the well-known combination of acetone and CaF2, the detector can be operated in proportional and Geiger–Müller modes. In this work, we review aspects concerning the working principles, the counter construction and the read-out electronics. We identify optimum working parameters and provide a step-by-step recipe how to build, install and operate the device.

  12. Acetone-butyl alcohol fermentation of the cornstalk hydrolyzates prepared by the method of Riga

    Energy Technology Data Exchange (ETDEWEB)

    Nakhmanovich, N A; Shcheblykina, N A; Kalnina, V; Pelsis, D

    1960-01-01

    The possibility of use of waste instead of food products in the acetone-butyl alcohol fermentation was investigated. Crushed cornstalks hydrolyzed by the method of Riga were inverted at varying conditions. The hydrolyzate containing about 50% of reducing substances (RS), based on dry weight of cornstalks, was neutralized to pH 6.3-6.5, diluted with water to the final concentration 5.0-5.1% of RS filtered, and the filtrate sterilized. The resulting liquor (I) was mixed with the wheat meal mash containing 5% of sugar (starch calculated as glucose) and fermented. The utilization of I depended upon the regime of inversion; the optimal being 20 minutes at 115/sup 0/, hydrocoefficient 1:4. In this case the use of 40% of mash sugar in form of I did not impair the yield of fermentation. The use of corn instead of wheat meal decreased the yield of butanol and increased that of ethanol. The fermentation of the mixture of I (final concentration 3% RS) and corn gluten (final concentration 2%), mineral salts added, gave higher yields than did the fermentation of the wheat meal mash.

  13. Mechanochemically synthesized LiAlOx catalyst for aqueous aldol condensation of furfural with acetone

    Directory of Open Access Journals (Sweden)

    Stepanova L. N.

    2017-10-01

    Full Text Available In the present study, the mechanochemical method is proposed for synthesis of LiAl-layered double hydroxides (LDHs. This method is eco-friendly and allows obtaining LiAl-LDH under relatively mild conditions (centripetal acceleration of milling bodies 300 m s-2 and in a short period of time (15 minutes. The structures of as-prepared LiAl-LDH, LiAl-mixed oxide (calcined LDH and “activated” LiAl-LDH obtained after rehydration of the corresponding mixed oxide were confirmed by X-ray diffraction. The basicity of LiAlOx was measured by temperature-programmed desorption of CO2 and double isotherm technique. According to data obtained, LiAl-mixed oxide has a significant higher carbon dioxide adsorption capacity compared to MgAlmixed oxides prepared by conventional co-precipitation method. This indicates a large amount of basic surface sites with different strength (strong, medium and weak for Li-containing systems. The formation of “activated” LiAl-LDH having Bronsted basic sites (OH groups in the interlayer space provides an increased catalytic activity of LiAlOx in the reaction of aqueous-phase aldol condensation between furfural and acetone.

  14. Zinc isotope separation in acetone by displacement chromatography using benzo-15-crown-5 resin

    International Nuclear Information System (INIS)

    Ding Xingcheng; Tatsuya Suzuki; Masao Nomura; Yashuhiko Fujii

    2005-01-01

    Zinc is considered as a useful material for cooling water treatment in light water plants. Injection of 64 Zn depleted Zinc is expected to further reduce the radiation in the reactor water system. For such a purpose of Zinc isotope separation, chemical exchange method has been studied. Breakthrough methods of chromatography experiments were performed. 0.5 mol/dm 3 ZnCl 2 dissolved in acetone solution was fed to glass columns packed with benzo-15-crown-5 resin at 35 degree C. The effluent was collected in fractions of which zinc concentration was determined by atomic adsorption spectrometer and isotope ratio was measured by ICP-MS. Observed enrichment ratios defined as, ( i Zn/ 64 Zn) sample / ( i Zn/ 64 Zn) original , where i=66,68, are plotted in Figure. From the results of experiment, it was confirmed that heavier zinc is preferentially enriched in the eluted samples of front band regions. The separation coefficient (ε) for 66 Zn/ 64 Zn and 68 Zn/ 64 Zn of five meters migration was obtained as 5.2 x 10 -4 and 8.1 x 10 -4 , respectively. The error is estimated to be 20% of the values.

  15. One electron reduction of 1,2 dihydroxy 9,10 anthraquinone and its transition metal complexes in aqueous-isopropanol-acetone mixed solvent: a steady state-state and pulse radiolysis study

    International Nuclear Information System (INIS)

    Das, Saurabh; Mandal, Parikshit C.; Rath, Madhab C.; Mukherjee, Tulsi

    1998-01-01

    One electron reduction of 1,2 dihydroxy 9,10 anthraquinone and its Cu(II) and Ni(II) and Fe(III) complexes have been studied in aqueous-isopropanol-acetone solvent. Results indicate that the reducing ketyl radical generated reacts with the ligand forming semiquinones which undergoes a disproportionation reaction. Formation and decay rates of semiquinones was calculated using pulse radiolysis. (author)

  16. Acetone-butanol fermentation of blackstrap molasses. An effective factor of some symbiotic organisms against an abnormal fermentation

    Energy Technology Data Exchange (ETDEWEB)

    Shiga, A; Kinoshita, S; Okumura, T

    1954-01-01

    There were three types of abnormal fermentation in the industrial acetone-butanol fermentation of blackstrap molasses; one of them called B type, was characterized by the extremely prolonged acidity peak, and sluggishness experiments were carried out to find some symbiotic organisms among various aerobic bacteria and yeasts for several strains of Clostridium acetobutylicum. Torula utilis showed an outstanding effectiveness for a rapid completion of the fermentation, and the yields of solvents was much increased. Culture filtrate of T. utilis contained a soluble and thermolabile effective factor, and showed high invertase activity. A close relation was found between high yields of solvents and the degree of inversion of molasses medium. Thus, the effective factor against sluggishness was ascribed to the invertase activity of the yeast. Some inhibiting factors to invertase of C. acetobutylicum were presumed to be present in molasses as the principal cause of the sluggishness.

  17. Sol–gel followed by urea–acetone spherodization for preparation of lithium titanate ceramics pebbles and preliminary characterization

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, S.K., E-mail: sk.sinha@bitmesra.ac.in [Department of Physics, Birla Institute of Technology, Patna 800014 (India); Yadav, S. [Department of Physics, Birla Institute of Technology, Patna 800014 (India); Raole, P.M. [Institute for Plasma Research, Bhat, Gandhinagar 382428 (India)

    2016-12-15

    Lithium titanate ceramics pebbles were prepared by chemical method of sol. gel followed by urea-aceton spherodization technique. Lithium titanate having monoclinic phase was obtained. Laser flash method was used to study thermal conductivity and diffusivity of the ceramics. At near 472 K the average value of diffusivity was around 0.0052 cm{sup 2} s{sup −1} while the specific heat capacity was 3101.3 J kg{sup −1} K{sup −1} while the same two parameters had values of 0.0041 cm{sup 2} s{sup −1} and 3894.4 J kg{sup −1} K{sup −1} at a temperature 1050 K. The crush strength of pebble was measured on Universal Testing Machine (UTM) and was found as 37.08 N. The density was measured and found to be 2.8 g/cc (81.63% of TD of value 3.43 g/cc).

  18. Enthalpies of solution of N,N,N',N'-tetramethylurea in amides, dimethylsulphoxide, and acetone at 298.15 K

    International Nuclear Information System (INIS)

    Ivanov, Evgeniy V.; Smirnov, Valeriy I.

    2008-01-01

    The enthalpies of solution Δ sol H m m were determined for N,N,N',N'-tetramethylurea in formamide, N-methylformamide, N,N-dimethylformamide, N,N-dimethylacetamide, dimethylsulphoxide, and acetone. Measurements were made at 298.15 K and molalities m = (0.004 to 0.031) mol . kg -1 with a precise isoperibol ampoule-type calorimeter. Standard enthalpies of solution Δ sol H m 0 and transfer Δ tr H m 0 from one solvent to another were computed. The enthalpies of solution of the solute in the hydrogen-non-bonding media were found to be endothermic and weak depending on the nature of methylation in a solvent molecule. It was concluded that the solvent proton-donor ability and existing steric hindrances for hydrogen bonding and other intermolecular interactions play the key role in solvation of tetramethylurea

  19. Potentiometric investigations of (acid+base) equilibria in (n-butylamine+acetic acid) systems in binary (acetone+cyclohexane) solvent mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Czaja, MaIgorzata [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Kozak, Anna [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Makowski, Mariusz [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Chmurzynski, Lech [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland)]. E-mail: lech@chem.univ.gda.pl

    2005-08-15

    By using the potentiometric titration method, standard equilibrium constants have been determined of acid dissociation of molecular acid, K{sub a}(HA), cationic acid, K{sub a}(BH{sup +}), of anionic and cationic homoconjugation, K{sub AHA{sup -}}andK{sub BHB{sup +}}, respectively, and of molecular heteroconjugation, K{sub AHB} (K{sub BHA}), in (acid+base) systems without proton transfer consisting of n-butylamine and acetic acid in binary (acetone+cyclohexane) solvent mixtures. The results have shown that both the pK{sub a}(HA) and pK{sub a}(BH{sup +}), as well as lgK{sub AHA{sup -}} values change non-linearly as a function of composition of the solvent mixture. On the other hand, standard molecular heteroconjugation constants without proton transfer do not depend on the cyclohexane content in the mixture, i.e. on solvent polarity.

  20. Effect of loading types on performance characteristics of a trickle-bed bioreactor and biofilter during styrene/acetone vapor biofiltration.

    Science.gov (United States)

    Halecky, Martin; Paca, Jan; Kozliak, Evguenii; Jones, Kim

    2016-07-02

    A 2:1 (w/w) mixture of styrene (STY) and acetone (AC) was subjected to lab-scale biofiltration under varied loading in both a trickle bed reactor (TBR) and biofilter (BF) to investigate substrate interactions and determine the limits of biofiltration efficiency of typical binary air pollutant mixtures containing both hydrophobic and polar components. A comparison of the STY/AC mixture degradation in the TBR and BF revealed higher pollutant removal efficiencies and degradation rates in the TBR, with the pollutant concentrations increasing up to the overloading limit. The maximum styrene degradation rates were 12 and 8 gc m(-3) h(-1) for the TBR and BF, respectively. However, the order of performance switched in favor of the BF when the loading was conducted by increasing air flow rate while keeping the inlet styrene concentration (Cin) constant in contrast to loading by increasing Cin. This switch may be due to a drastic difference in the effective surface area between these two reactors, so the biofilter becomes the reactor of choice when the rate-limiting step switches from biochemical processes to mass transfer by changing the loading mode. The presence of acetone in the mixture decreased the efficiency of styrene degradation and its degradation rate at high loadings. When the overloading was lifted by lowering the pollutant inlet concentrations, short-term back-stripping of both substrates in both reactors into the outlet air was observed, with a subsequent gradual recovery taking several hours and days in the BF and TBR, respectively. Removal of excess biomass from the TBR significantly improved the reactor performance. Identification of the cultivable strains, which was performed on Day 763 of continuous operation, showed the presence of 7 G(-) bacteria, 2 G(+) bacteria and 4 fungi. Flies and larvae of Lycoriella nigripes survived half a year of the biofilter operation by feeding on the biofilm resulting in the maintenance of a nearly constant pressure drop.

  1. Antifungal and Anti-Biofilm Activities of Acetone Lichen Extracts against Candida albicans

    Directory of Open Access Journals (Sweden)

    Marion Millot

    2017-04-01

    Full Text Available Candida albicans is a commensal coloniser of the human gastrointestinal tract and an opportunistic pathogen, especially thanks to its capacity to form biofilms. This lifestyle is frequently involved in infections and increases the yeast resistance to antimicrobials and immune defenses. In this context, 38 lichen acetone extracts have been prepared and evaluated for their activity against C. albicans planktonic and sessile cells. Minimum inhibitory concentrations of extracts (MICs were determined using the broth microdilution method. Anti-biofilm activity was evaluated using tetrazolium salt (XTT assay as the ability to inhibit the maturation phase (anti-maturation or to eradicate a preformed 24 h old biofilm (anti-biofilm. While none of the extracts were active against planktonic cells, biofilm maturation was limited by 11 of the tested extracts. Seven extracts displayed both anti-maturation and anti-biofilm activities (half maximal inhibitory concentrations IC50_mat and IC50_biof ≤ 100 µg/mL; Evernia prunastri and Ramalina fastigiata were the most promising lichens (IC50_mat < 4 µg/mL and IC50_biof < 10 µg/mL. Chemical profiles of the active extracts performed by thin layer chromatography (TLC and high performance liquid chromatography (HPLC have been analyzed. Depsides, which were present in large amounts in the most active extracts, could be involved in anti-biofilm activities. This work confirmed that lichens represent a reservoir of compounds with anti-biofilm potential.

  2. One-Step Condensation and Hydrogenation of Furfural-Acetone Using Mixed and Single Catalyst Based on Ni/M-Oxide [M=Al; Mg

    Science.gov (United States)

    Ulfa, S. M.; Pramesti, I. N.; Mustafidah, H.

    2018-01-01

    Modification of furfural by condensation and hydrogenation reaction is a promising approach to produce higher alkane derivatives (C8-C13) as diesel fraction. This research investigated the catalytic activity of Ni/MgO as bifunctional catalyst compared with MgO-Ni/Al2O3 mixed catalyst for condensation-hydrogenation reaction. The Ni/MgO and Ni/Al2O3 with 20% Ni loading were prepared by wet impregnation methods using Ni(NO3)2.6H2O salt, calcined and reduced at 500°C. The catalyst performance was tested for one-step condensation-hydrogenation reaction using autoclave oil batch reactor. The reaction was conducted by reacting furfural and acetone in 1:1 ratio using water as solvent. Condensation reaction was performed at 100°C for 8 hours, followed by hydrogenation at 120°C during 7 hours. Analysis by gas chromatography showed that C=C double bond of furfurylidene acetone were successfully hydrogenated. Using Ni/MgO catalyst at 120°C, the products were identified as 1,5-bis-(2-furanyl)-1,4-penta-1-ene-3-one (2.68%) and 1,5-bis-(2-furanyl)-1,4-pentan-3-one (trace amount). On the other hand, reaction using mixed catalyst, MgO-Ni/Al2O3 showed better activity over bifunctional Ni/MgO at the same reaction temperature. The products were identified as 4-(2-furanyl)-3-butan-2-one (27.30%); 1,5-bis-(2-furanyl)-1,4-penta-1-ene-3-one (3.82%) and 1,5-bis-(2-furanyl)-1,4-pentan-3-one (1.11%). The impregnation of Ni on MgO decrease the physical properties of catalyst, confirmed by surface area analysis (SAA).

  3. One-electron reduction of 1,2-dihydroxy-9,10-anthraquinone and some of its transition metal complexes in aqueous solution and in aqueous isopropanol-acetone-mixed solvent: a steady-state and pulse radiolysis study

    International Nuclear Information System (INIS)

    Das, S.; Bhattacharya, A.; Mandal, P.C.; Rath, M.C.; Mukherjee, T.

    2002-01-01

    One-electron reduction of 1,2-dihydroxy-9,10-anthraquinone (DHA) and its complexes with Cu(II), Ni(II) and Fe(III), by acetone ketyl radical, (CH 3 ) 2 C·OH, was carried out in aqueous solution and in aqueous isopropanol acetone mixed solvent using both steady-state gamma radiolysis and pulse radiolysis techniques. The rate constants for the reduction of DHA at different pH values by the ketyl radical are in the order of ∼10 9 dm 3 mol -1 s -1 , whereas those for the metal complexes are comparatively less. These rate constants are, however, in conformity with the one-electron reduction potentials of the ligand in free DHA and in its metal complexes. Decay kinetics of the one-electron reduced semiquinones of the free ligand and its metal complexes suggest disproportionation of the semiquinone in the case of the free ligand and intermolecular electron transfer from the co-ordinated semiquinone radical to the metal centre in the case of the metal complexes

  4. Mechanistic simulation of batch acetone-butanol-ethanol (ABE) fermentation with in situ gas stripping using Aspen Plus™.

    Science.gov (United States)

    Darkwah, Kwabena; Nokes, Sue E; Seay, Jeffrey R; Knutson, Barbara L

    2018-05-22

    Process simulations of batch fermentations with in situ product separation traditionally decouple these interdependent steps by simulating a separate "steady state" continuous fermentation and separation units. In this study, an integrated batch fermentation and separation process was simulated for a model system of acetone-butanol-ethanol (ABE) fermentation with in situ gas stripping, such that the fermentation kinetics are linked in real-time to the gas stripping process. A time-dependent cell growth, substrate utilization, and product production is translated to an Aspen Plus batch reactor. This approach capitalizes on the phase equilibria calculations of Aspen Plus to predict the effect of stripping on the ABE fermentation kinetics. The product profiles of the integrated fermentation and separation are shown to be sensitive to gas flow rate, unlike separate steady state fermentation and separation simulations. This study demonstrates the importance of coupled fermentation and separation simulation approaches for the systematic analyses of unsteady state processes.

  5. Synthesis and Conformational Assignment of N-(E-Stilbenyloxymethylenecarbonyl-Substituted Hydrazones of Acetone and o-(m- and p- Chloro- (nitro- benzaldehydes by Means of and NMR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Przemysław Patorski

    2013-01-01

    Full Text Available Eighteen new N-(E-stilbenyloxyalkylcarbonyl-substituted hydrazones of ortho- (meta- and para- chloro- (nitro- benzaldehydes 1–18 and two analogous hydrazones of acetone 19-20 were prepared. The stereochemical behavior of 1–18 in dimethyl-d6 sulfoxide solution has been studied by NMR and NMR techniques, using spectral data of 19 and 20 as supporting material. The E-geometrical isomers and cis-/trans-amide conformers have been found for these hydrazones. Energy barriers of isomers are reported.

  6. Energy efficiency of acetone, butanol, and ethanol (ABE) recovery by heat-integrated distillation.

    Science.gov (United States)

    Grisales Diaz, Victor Hugo; Olivar Tost, Gerard

    2018-03-01

    Acetone, butanol, and ethanol (ABE) is an alternative biofuel. However, the energy requirement of ABE recovery by distillation is considered elevated (> 15.2 MJ fuel/Kg-ABE), due to the low concentration of ABE from fermentation broths (between 15 and 30 g/l). In this work, to reduce the energy requirements of ABE recovery, four processes of heat-integrated distillation were proposed. The energy requirements and economic evaluations were performed using the fermentation broths of several biocatalysts. Energy requirements of the processes with four distillation columns and three distillation columns were similar (between 7.7 and 11.7 MJ fuel/kg-ABE). Double-effect system (DED) with four columns was the most economical process (0.12-0.16 $/kg-ABE). ABE recovery from dilute solutions by DED achieved energy requirements between 6.1 and 8.7 MJ fuel/kg-ABE. Vapor compression distillation (VCD) reached the lowest energy consumptions (between 4.7 and 7.3 MJ fuel/kg-ABE). Energy requirements for ABE recovery DED and VCD were lower than that for integrated reactors. The energy requirements of ABE production were between 1.3- and 2.0-fold higher than that for alternative biofuels (ethanol or isobutanol). However, the energy efficiency of ABE production was equivalent than that for ethanol and isobutanol (between 0.71 and 0.76) because of hydrogen production in ABE fermentation.

  7. Anthelmintic activity of acetone extracts from South African plants used on egg hatching of Haemonchus contortus

    Directory of Open Access Journals (Sweden)

    Gerda Fouche

    2016-07-01

    Full Text Available The nematode, Haemonchus contortus, is responsible for major economic losses in the livestock industry. The management of parasites such as H. contortus has been through the use of synthetic parasiticides. This has resulted in the presence of residues in meat and milk, which affects food safety. The development of resistance to available anthelmintics coupled with their high cost has further complicated matters. This has led to the investigation of alternative methods to manage nematodes, including the use of plants and plant extracts as a potential source of novel anthelmintics. Acetone extracts were prepared from 15 South African plant species and their anthelmintic activity determined using the egg hatch assay (EHA. The leaf extract of Cleome gynandra had the best inhibitory activity (68% ± 3% at a concentration of 2.5 mg/mL, followed by the stem extract of Maerua angolensis (65% ± 5%. The extracts had a relatively low toxicity on Vero cells determined by the MTT (3-(4,5-dimethylthiazol-2-yl-2,5- diphenyltetrazolium bromide cellular assay.

  8. Acetone sensors based on microsheet-assembled hierarchical Fe2O3 with different Fe3+ concentrations

    Science.gov (United States)

    Wang, Han; Yan, Lei; Li, Shuo; Li, Yu; Liu, Li; Du, Liting; Duan, Haojie; Cheng, Yali

    2018-02-01

    Several different morphologies of microsheet-assembled Fe2O3 have been fabricated by hydrothermal method using diverse concentrations of Fe3+ precursor solutions (0.025, 0.020, 0.015, 0.010 mol/L Fe3+). The as-synthesized materials have been characterized by scanning electron microscope (SEM), X-ray powder diffraction (XRD), and energy-dispersive X-ray spectrometry (EDS). The SEM images reflect that the morphologies of as-synthesized materials are affected by the concentrations of Fe3+ in precursor solutions. The less concentration of Fe3+, the more porous of Fe2O3 microflowers, and thinner of slices distributed on the surface. Furthermore, gas sensors based on these Fe2O3 microflowers manufactured and tested to various common gases. The optimum response value to 100 ppm acetone is 52 at the working temperature of 220 °C. Meanwhile, the Fe2O3 microflower sensors possess ultrafast response-recovery speed, which are 8 and 19 s, respectively. The possible sensing mechanism was mainly attributed to the high surface area, three-dimensional porous structure.

  9. Initial dynamics of the Norrish Type I reaction in acetone: probing wave packet motion.

    Science.gov (United States)

    Brogaard, Rasmus Y; Sølling, Theis I; Møller, Klaus B

    2011-02-10

    The Norrish Type I reaction in the S(1) (nπ*) state of acetone is a prototype case of ketone photochemistry. On the basis of results from time-resolved mass spectrometry (TRMS) and photoelectron spectroscopy (TRPES) experiments, it was recently suggested that after excitation the wave packet travels toward the S(1) minimum in less than 30 fs and stays there for more than 100 picoseconds [Chem. Phys. Lett.2008, 461, 193]. In this work we present simulated TRMS and TRPES signals based on ab initio multiple spawning simulations of the dynamics during the first 200 fs after excitation, getting quite good agreement with the experimental signals. We can explain the ultrafast decay of the experimental signals in the following manner: the wave packet simply travels, mainly along the deplanarization coordinate, out of the detection window of the ionizing probe. This window is so narrow that subsequent revival of the signal due to the coherent deplanarization vibration is not observed, meaning that from the point of view of the experiment the wave packets travels directly to the S(1) minimum. This result stresses the importance of pursuing a closer link to the experimental signal when using molecular dynamics simulations in interpreting experimental results.

  10. A comparison of the energy use of in situ product recovery techniques for the Acetone Butanol Ethanol fermentation.

    Science.gov (United States)

    Outram, Victoria; Lalander, Carl-Axel; Lee, Jonathan G M; Davis, E Timothy; Harvey, Adam P

    2016-11-01

    The productivity of the Acetone Butanol Ethanol (ABE) fermentation can be significantly increased by application of various in situ product recovery (ISPR) techniques. There are numerous technically viable processes, but it is not clear which is the most economically viable in practice. There is little available information about the energy requirements and economics of ISPR for the ABE fermentation. This work compares various ISPR techniques based on UniSim process simulations of the ABE fermentation. The simulations provide information on the process energy and separation efficiency, which is fed into an economic assessment. Perstraction was the only technique to reduce the energy demand below that of a batch process, by approximately 5%. Perstraction also had the highest profit increase over a batch process, by 175%. However, perstraction is an immature technology, so would need significant development before being integrated to an industrial process. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Bio-plasticizer production by hybrid acetone-butanol-ethanol fermentation with full cell catalysis of Candida sp. 99-125.

    Science.gov (United States)

    Chen, Changjing; Cai, Di; Qin, Peiyong; Chen, Biqiang; Wang, Zheng; Tan, Tianwei

    2018-06-01

    Hybrid process that integrated fermentation, pervaporation and esterification was established aiming to improve the economic feasibility of the conventional acetone-butanol-ethanol (ABE) fermentation process. Candida sp 99-125 cells were used as full-cell catalyst. The feasibility of batch and fed-batch esterification using the ABE permeate of pervaporation (ranging from 286.9 g/L to 402.9 g/L) as substrate were compared. Valuable butyl oleate was produced along with ethyl oleate. For the batch esterification, due to severe inhibition of substrate to lipase, the yield of butyl oleate and ethyl oleate were only 24.9% and 3.3%, respectively. In contrast, 75% and 11.8% of butyl oleate and ethyl oleate were obtained, respectively, at the end of the fed-batch esterification. The novel integration process provides a promising strategy for in situ upgrading ABE products. Copyright © 2018 Elsevier Ltd. All rights reserved.

  12. Application of acetone acetals as water scavengers and derivatization agents prior to the gas chromatographic analysis of polar residual solvents in aqueous samples.

    Science.gov (United States)

    van Boxtel, Niels; Wolfs, Kris; Van Schepdael, Ann; Adams, Erwin

    2015-12-18

    The sensitivity of gas chromatography (GC) combined with the full evaporation technique (FET) for the analysis of aqueous samples is limited due to the maximum tolerable sample volume in a headspace vial. Using an acetone acetal as water scavenger prior to FET-GC analysis proved to be a useful and versatile tool for the analysis of high boiling analytes in aqueous samples. 2,2-Dimethoxypropane (DMP) was used in this case resulting in methanol and acetone as reaction products with water. These solvents are relatively volatile and were easily removed by evaporation enabling sample enrichment leading to 10-fold improvement in sensitivity compared to the standard 10μL FET sample volumes for a selection of typical high boiling polar residual solvents in water. This could be improved even further if more sample is used. The method was applied for the determination of residual NMP in an aqueous solution of a cefotaxime analogue and proved to be considerably better than conventional static headspace (sHS) and the standard FET approach. The methodology was also applied to determine trace amounts of ethylene glycol (EG) in aqueous samples like contact lens fluids, where scavenging of the water would avoid laborious extraction prior to derivatization. During this experiment it was revealed that DMP reacts quantitatively with EG to form 2,2-dimethyl-1,3-dioxolane (2,2-DD) under the proposed reaction conditions. The relatively high volatility (bp 93°C) of 2,2-DD makes it possible to perform analysis of EG using the sHS methodology making additional derivatization reactions superfluous. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Carbonyl[4-(2,6-dimethylphenylaminopent-3-en-2-onato-κ2N,O](triphenylphosphine-κPrhodium(I acetone hemisolvate

    Directory of Open Access Journals (Sweden)

    Andreas Roodt

    2009-12-01

    Full Text Available In the title compound, [Rh(C13H16NO(C18H15P(CO]·0.5C3H6O, the Rh atom exhibits a square-planar coordination geometry, being coordinated by the N and O atoms of the bidentate β-diketonato ligand, a P atom from the triphenylphosphine unit and a C atom from the carbonyl group. The asymmetric unit also contains a disordered half-molecule, lying about an inversion center, of the acetone solvate. Intermolecular C—H...O hydrogen bonds are observed between a C—H group of the triphenylphosphine unit and a carbonyl O atom and between the methyl group of the enaminoketonato backbone and the solvent O atom. In addition, an intramolecular interaction is observed between a C—H group of the triphenylphosphine unit and the O atom of the enaminoketonato ligand.

  14. Acetone-butanol fermentation of blackstrap molasses. An effective factor of some symbiotic organisms against an abnormal fermentation. [Torula utilis

    Energy Technology Data Exchange (ETDEWEB)

    Shige, A; Kinoshita, S; Okumura, T

    1954-01-01

    There were three types of industrial acetone-butanol fermentation of blackstrap molasses; one of them, called B type, was characterized by the extremely prolonged acidity peak, and sluggishness experiments were carried out to find some symbiotic organisms among various aerobic bacteria and yeasts for several strains of Clostridium acetobutylicum. Torula utilis showed an outstanding effectiveness for a rapid completion of the fermentation, and the yields of solvents was much increased. Culture filtrate of T. utilis contained a soluble and invertase activity. A close relation was found between high yields of solvents and the degree of inversion of molasses medium. Thus, the effective factor against sluggishness was ascribed to the invertase activity of the yeast. Some inhibiting factors to invertase of C. acetobutylicum were presumed to be present in molasses as the principal cause of the sluggishness.

  15. Evidence for stepwise dissociation dynamics in acetone at 248 and 193 nm

    Science.gov (United States)

    North, Simon W.; Blank, David A.; Gezelter, J. Daniel; Longfellow, Cheryl A.; Lee, Yuan T.

    1995-03-01

    The technique of molecular beam photofragment translational spectroscopy has been used to study the dissociation of acetone following S1←S0 (248 nm) and S2←S0 (193 nm) excitation. Excitation at 248 nm resulted in the production of CH3 and CH3CO with 14.2±1.0 kcal/mole on average of the available energy appearing as translation of the photofragments. Comparison of the measured with values reported at 266 nm suggest that the energy partitioning is dominated by the exit barrier caused by an avoided crossing on the potential energy surface. A substantial fraction (30±4%) of the nascent acetyl radicals from the primary dissociation contain sufficient energy to undergo spontaneous secondary decomposition. From the onset of the truncation of the CH3CO P(ET) a threshold of 17.8±3.0 kcal/mole for the dissociation of the acetyl radical has been determined in agreement with recent results on the photodissociation of acetyl chloride. The translational energy release in the dissociation of CH3CO closely matches the experimentally determined exit barrier. At 193 nm the only observed dissociation pathway was the formation of two methyl radicals and carbon monoxide. On average ˜38% of the available energy is found in product translation suggesting that significant internal energy resides in the nascent CH3 fragments consistent with the results of Hall et al. [J. Chem. Phys. 94, 4182 (1991)]. We conclude that the dynamics and energy partitioning for dissociation at 193 nm is similar to that at 248 nm.

  16. Four coordination polymers based on 5-tert-butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties

    International Nuclear Information System (INIS)

    Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan

    2017-01-01

    Four coordination polymers including, [Co(µ-Htbip) 2 (µ-dib)] n (1), [Co(µ-tbip)(µ-dmib) 0.5 ] n (2), [Zn 2 (µ-tbip)(µ 3 -tbip)(µ-dmib) 1.5 ] n (3) and [Cd(µ 3 -tbip)(µ-dib) 0.5 (H 2 O)] n (4) (tbip: 5-tert-butylisophthalate, dib: 1,4-bis(imidazol-1yl)benzene, dmib: 1,4-bis(imidazol-1yl)-2,5-dimethylbenzene), were hydrothermally synthesized and characterized by elemental analysis, IR spectra, single crystal and powder X-ray diffraction and thermal analysis (TG/DTA). The structural diversity is observed depending on ligands and coordination number of metal centers in the synthesized complexes. The tbip ligand displayed five different coordination modes in its complexes. In 1 and 2, complex 1 is 3D framework with the dia topology while complex 2 has 2D structure with the sql topology depending on coordination geometries of Co ions. Complex 3 is 3D framework with the fsh 4,6-conn topology and complex 4 has 2D 4-connected sql topology. Photoluminescent properties of complex 3 dispersed in various organic solvents were investigated and the results showed that 3 dispersed in methanol could be used as a fluorescent sensor for the detection of acetone. Moreover, thermal and optical properties of the complexes were also studied. - Graphical abstract: Four coordination polymers were hydrothermally synthesized and characterized by various techniques. The complexes showed the structural diversity depending on ligands and coordination number of metal centers. The tbip ligand displayed four different coordination modes in its complexes. In 1 and 2, complexes 1 and 2 are 3D and 2D structures with the dia and sql topologies depending on coordination geometries of Co ions, respectively. Complexes 3 and 4 are 3D and 2D structures with the fsh 4,6-conn and sql topology, respectively. Photoluminescent properties of complex 3 dispersed in various organic solvents were investigated and the results showed that 3 dispersed in methanol could be used as a fluorescent sensor for the

  17. Characterization of Coconut Oil Fractions Obtained from Solvent Fractionation Using Acetone.

    Science.gov (United States)

    Sonwai, Sopark; Rungprasertphol, Poonyawee; Nantipipat, Nantinee; Tungvongcharoan, Satinee; Laiyangkoon, Nantikan

    2017-09-01

    This work was aimed to study the solvent fraction of coconut oil (CNO). The fatty acid and triacylglycerol compositions, solid fat content (SFC) and the crystallization properties of CNO and its solid and liquid fractions obtained from fractionation at different conditions were investigated using various techniques. CNO was dissolved in acetone (1:1 w/v) and left to crystallize isothermally at 10°C for 0.5, 1 and 2 h and at 12°C for 2, 3 and 6 h. The solid fractions contained significantly lower contents of saturated fatty acids of ≤ 10 carbon atoms but considerably higher contents of saturated fatty acids with > 12 carbon atoms with respect to those of CNO and the liquid fractions. They also contained higher contents of high-melting triacylglycerol species with carbon number ≥ 38. Because of this, the DSC crystallization onset temperatures and the crystallization peak temperatures of the solid fractions were higher than CNO and the liquid fractions. The SFC values of the solid fractions were significantly higher than CNO at all measuring temperatures before reaching 0% just below the body temperature with the fraction obtained at 12°C for 2 h exhibiting the highest SFC. On the contrary, the SFC values of the liquid fractions were lower than CNO. The crystallization duration exhibited strong influence on the solid fractions. There was no effect on the crystal polymorphic structure possibly because CNO has β'-2 as a stable polymorph. The enhanced SFC of the solid fractions would allow them to find use in food applications where a specific melting temperature is desired such as sophisticated confectionery fats, and the decreased SFC of the liquid fractions would provide them with a higher cold stability which would be useful during extended storage time.

  18. Modulation of the Acetone/Butanol Ratio during Fermentation of Corn Stover-Derived Hydrolysate by Clostridium beijerinckii Strain NCIMB 8052.

    Science.gov (United States)

    Liu, Zi-Yong; Yao, Xiu-Qing; Zhang, Quan; Liu, Zhen; Wang, Ze-Jie; Zhang, Yong-Yu; Li, Fu-Li

    2017-04-01

    Producing biobutanol from lignocellulosic biomass has shown promise to ultimately reduce greenhouse gases and alleviate the global energy crisis. However, because of the recalcitrance of a lignocellulosic biomass, a pretreatment of the substrate is needed which in many cases releases soluble lignin compounds (SLCs), which inhibit growth of butanol-producing clostridia. In this study, we found that SLCs changed the acetone/butanol ratio (A/B ratio) during butanol fermentation. The typical A/B molar ratio during Clostridium beijerinckii NCIMB 8052 batch fermentation with glucose as the carbon source is about 0.5. In the present study, the A/B molar ratio during batch fermentation with a lignocellulosic hydrolysate as the carbon source was 0.95 at the end of fermentation. Structural and redox potential changes of the SLCs were characterized before and after fermentation by using gas chromatography/mass spectrometry and electrochemical analyses, which indicated that some exogenous SLCs were involved in distributing electron flow to C. beijerinckii , leading to modulation of the redox balance. This was further demonstrated by the NADH/NAD + ratio and trxB gene expression profile assays at the onset of solventogenic growth. As a result, the A/B ratio of end products changed significantly during C. beijerinckii fermentation using corn stover-derived hydrolysate as the carbon source compared to glucose as the carbon source. These results revealed that SLCs not only inhibited cell growth but also modulated the A/B ratio during C. beijerinckii butanol fermentation. IMPORTANCE Bioconversion of lignocellulosic feedstocks to butanol involves pretreatment, during which hundreds of soluble lignin compounds (SLCs) form. Most of these SLCs inhibit growth of solvent-producing clostridia. However, the mechanism by which these compounds modulate electron flow in clostridia remains elusive. In this study, the results revealed that SLCs changed redox balance by producing oxidative

  19. Theoretical Kinetic Study of the Unimolecular and H-Assisted Keto-Enol Tautomerism Propen-2-ol ↔Acetone. Pressure Effects and Implications in the Pyrolysis and Oxidation of tert- And 2-Butanol

    KAUST Repository

    Grajales Gonzalez, Edwing Javier

    2018-05-01

    The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with their favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular and H-assisted tautomerism of propen-2-ol to acetone, which are included in butanol combustion kinetic models, are assigned rate parameters based on the analogous unimolecular tautomerism vinyl alcohol ↔ acetaldehyde and H addition to the double bound of iso-butene, respectively. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the unimolecular and H-assisted tautomerism, i-C3H5OH⟺CH3COCH3 and i-C3H5OH+Ḣ⟺CH3COCH3+Ḣ, was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) and CCSD(T)/aug-cc-pVTZ//M062X/cc-pVTZ ab initio calculations, respectively. For H-assisted tautomerism, the reaction takes place in two consecutive steps: i-C3H5OH+Ḣ⟺CH3ĊOHCH3 and CH3ĊOHCH3⟺CH3COCH3+Ḣ. Multistructural torsional anharmonicity and variational transition state theory were considered in a wide temperature and pressure range (200 K – 3000 K, 0.1 kPa – 108 kPa). It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior for both isomerizations. Results for unimolecular tautomerism differ from vinyl alcohol ↔ acetaldehyde analogue reactions, which shows lower rate constant values. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed unimolecular rate constants showed important differences in comparison with previous results, such as larger acetone yield and

  20. Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory.

    Science.gov (United States)

    Fransson, Thomas; Coriani, Sonia; Christiansen, Ove; Norman, Patrick

    2013-03-28

    Near carbon K-edge X-ray absorption fine structure spectra of a series of fluorine-substituted ethenes and acetone have been studied using coupled cluster and density functional theory (DFT) polarization propagator methods, as well as the static-exchange (STEX) approach. With the complex polarization propagator (CPP) implemented in coupled cluster theory, relaxation effects following the excitation of core electrons are accounted for in terms of electron correlation, enabling a systematic convergence of these effects with respect to electron excitations in the cluster operator. Coupled cluster results have been used as benchmarks for the assessment of propagator methods in DFT as well as the state-specific static-exchange approach. Calculations on ethene and 1,1-difluoroethene illustrate the possibility of using nonrelativistic coupled cluster singles and doubles (CCSD) with additional effects of electron correlation and relativity added as scalar shifts in energetics. It has been demonstrated that CPP spectra obtained with coupled cluster singles and approximate doubles (CC2), CCSD, and DFT (with a Coulomb attenuated exchange-correlation functional) yield excellent predictions of chemical shifts for vinylfluoride, 1,1-difluoroethene, trifluoroethene, as well as good spectral features for acetone in the case of CCSD and DFT. Following this, CPP-DFT is considered to be a viable option for the calculation of X-ray absorption spectra of larger π-conjugated systems, and CC2 is deemed applicable for chemical shifts but not for studies of fine structure features. The CCSD method as well as the more approximate CC2 method are shown to yield spectral features relating to π∗-resonances in good agreement with experiment, not only for the aforementioned molecules but also for ethene, cis-1,2-difluoroethene, and tetrafluoroethene. The STEX approach is shown to underestimate π∗-peak separations due to spectral compressions, a characteristic which is inherent to this