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Sample records for acetaldehyde acetone methanol

  1. Sources and sinks of acetone, methanol, and acetaldehyde in North Atlantic air

    NASA Astrophysics Data System (ADS)

    Lewis, A. C.; Hopkins, J. R.; Carpenter, L. J.; Stanton, J.; Read, K. A.; Pilling, M. J.

    2005-03-01

    Measurements of acetone, methanol, acetaldehyde and a range of non-methane hydrocarbons have been made in North Atlantic marine air at the Mace Head observatory. Under maritime conditions the combination of OVOCs (acetone, methanol and 5 acetaldehyde) contributed up to 85% of the total mass of measured non methane organics in air and up to 80% of the OH radical organic sink, when compared with the sum of all other organic compounds including non-methane hydrocarbons, DMS and OH-reactive halocarbons (trichloromethane and tetrachloroethylene). The observations showed anomalies in the variance and abundance of acetaldehyde and acetone 10 over that expected for species with a remote terrestrial emission source and OH controlled chemical lifetime. A detailed model incorporating an explicit chemical degradation mechanism indicated in situ formation during air mass transport was on timescales longer than the atmospheric lifetime of precursor hydrocarbons or primary emission. The period over which this process was significant was similar to that of airmass mo15 tion on intercontinental scales, and formation via this route may reproduce that of a widespread diffuse source. The model indicates that continued short chain OVOC formation occurs many days from the point of emission, via longer lived intermediates of oxidation such as organic peroxides and long chain alcohols.

  2. Sources and sinks of acetone, methanol, and acetaldehyde in North Atlantic marine air

    NASA Astrophysics Data System (ADS)

    Lewis, A. C.; Hopkins, J. R.; Carpenter, L. J.; Stanton, J.; Read, K. A.; Pilling, M. J.

    2005-08-01

    Measurements of acetone, methanol, acetaldehyde and a range of non-methane hydrocarbons have been made in North Atlantic marine air at the Mace Head observatory. Under maritime conditions the combination of OVOCs (acetone, methanol and acetaldehyde) contributed up to 85% of the total mass of measured non methane organics in air and up to 80% of the OH radical organic sink, when compared with the sum of all other organic compounds including non-methane hydrocarbons, DMS and OH-reactive halocarbons (trichloromethane and tetrachloroethylene). The observations showed anomalies in the variance and abundance of acetaldehyde and acetone over that expected for species with a remote terrestrial emission source and OH controlled chemical lifetime. A detailed model incorporating an explicit chemical degradation mechanism indicated in situ formation during air mass transport was on timescales longer than the atmospheric lifetime of precursor hydrocarbons or primary emission. The period over which this process was significant was similar to that of airmass motion on intercontinental scales, and formation via this route may reproduce that of a widespread diffuse source. The model indicates that continued short chain OVOC formation occurs many days from the point of emission, via longer lived intermediates of oxidation such as organic peroxides and long chain alcohols.

  3. Multiannual observations of acetone, methanol, and acetaldehyde in remote tropical atlantic air: implications for atmospheric OVOC budgets and oxidative capacity.

    PubMed

    Read, K A; Carpenter, L J; Arnold, S R; Beale, R; Nightingale, P D; Hopkins, J R; Lewis, A C; Lee, J D; Mendes, L; Pickering, S J

    2012-10-16

    Oxygenated volatile organic compounds (OVOCs) in the atmosphere are precursors to peroxy acetyl nitrate (PAN), affect the tropospheric ozone budget, and in the remote marine environment represent a significant sink of the hydroxyl radical (OH). The sparse observational database for these compounds, particularly in the tropics, contributes to a high uncertainty in their emissions and atmospheric significance. Here, we show measurements of acetone, methanol, and acetaldehyde in the tropical remote marine boundary layer made between October 2006 and September 2011 at the Cape Verde Atmospheric Observatory (CVAO) (16.85° N, 24.87° W). Mean mixing ratios of acetone, methanol, and acetaldehyde were 546 ± 295 pptv, 742 ± 419 pptv, and 428 ± 190 pptv, respectively, averaged from approximately hourly values over this five-year period. The CAM-Chem global chemical transport model reproduced annual average acetone concentrations well (21% overestimation) but underestimated levels by a factor of 2 in autumn and overestimated concentrations in winter. Annual average concentrations of acetaldehyde were underestimated by a factor of 10, rising to a factor of 40 in summer, and methanol was underestimated on average by a factor of 2, peaking to over a factor of 4 in spring. The model predicted summer minima in acetaldehyde and acetone, which were not apparent in the observations. CAM-Chem was adapted to include a two-way sea-air flux parametrization based on seawater measurements made in the Atlantic Ocean, and the resultant fluxes suggest that the tropical Atlantic region is a net sink for acetone but a net source for methanol and acetaldehyde. Inclusion of the ocean fluxes resulted in good model simulations of monthly averaged methanol levels although still with a 3-fold underestimation in acetaldehyde. Wintertime acetone levels were better simulated, but the observed autumn levels were more severely underestimated than in the standard model. We suggest that the latter may

  4. Methanol and acetaldehyde fluxes over ryegrass

    NASA Astrophysics Data System (ADS)

    Custer, Thomas; Schade, Gunnar

    2007-09-01

    Oxygenated volatile organic compounds (OVOCs) play an active role in tropospheric chemistry but our knowledge concerning their release and ultimate fate is limited. However, the recent introduction of Proton Transfer Reaction Mass Spectrometry (PTRMS) has improved our capability to make direct field observations of OVOC mixing ratios and fluxes. We used PTRMS in an eddy covariance setup to measure selected OVOC exchange rates above a well-characterized agricultural plot in Northern Germany. In fall 2003, mixing ratios of methanol and acetaldehyde 2 m above the field ranged from 1 to 10 and 0.4 to 2.1 ppb, respectively, well correlated with one another. Fluxes of both gases were followed for growing Italian ryegrass (Lolium multiflorum) over a significant portion of its life cycle. Diurnally fluctuating emissions of methanol and very small acetaldehyde fluxes were observed up to the cutting and removal of the grass. Methanol emissions were exponentially related to ambient temperatures and appeared to be higher during the grass' rapid leaf area expansion and after a rain event. Acetaldehyde exchanges averaged over the whole period indicated very slow deposition. Our measurements confirm previous, similar results, as well as presumptions that grasses are comparatively low methanol emitters compared to non-grass species.

  5. Acetone and Acetaldehyde Exchange Above a Managed Temperate Mountain Grassland

    NASA Astrophysics Data System (ADS)

    Hörtnagl, L. J.; Bamberger, I.; Graus, M.; Ruuskanen, T.; Schnitzhofer, R.; Hansel, A.; Wohlfahrt, G.

    2011-12-01

    The exchange of acetone and acetaldehyde was measured above an intensively managed hay meadow in the Stubai Valley (Tyrol, Austria) during the growing seasons in 2008 and 2009. Half-hourly fluxes of both compounds were calculated by means of the virtual disjunct eddy covariance (vDEC) method by combining the 3-dimensional wind data from a sonic anemometer with the compound specific volume mixing ratios quantified with a proton-transfer-reaction mass spectrometer (PTR-MS). The cutting of the meadow resulted in the largest perturbation of the VOC exchange rates. Peak emissions for both VOC species were observed during and right after the cutting of the meadow, with rates of up to 12.1 and 10.1 nmol m-2 s-1 for acetaldehyde and acetone, respectively, reflecting the drying of the wounded plant material. During certain time periods, undisturbed by management events, both compounds exhibited a clear diurnal cycle. Emission rates of up to 3.7 nmol m-2 s-1 for acetaldehyde and 3.2 nmol m-2 s-1 for acetone were measured in October 2008, while a uptake of both compounds with rates of up to 1.8 and 2.1 nmol m-2 s-1, respectively, could be observed in May 2009, when also clear compensation points of 0.3 ppb for acetaldehyde and 1.0 ppb for acetone were observed. In an effort to explore the controls on observed exchange patterns, a simple and multiple linear regression analysis was conducted. A clear interconnection between VOC concentrations and VOC exchange could be seen only in May 2009, when concentration values alone explained 30.6% and 11.7% of the acetaldehyde and acetone flux variance, respectively. However, when trying to predict the observed exchange patterns of both VOC species in a multiple linear regression based on supporting environmental measurements - including air and soil temperature, soil water content and PAR among others - the analysis yielded unsatisfactory results, accounting for 10% and 4% of the observed acetaldehyde and acetone flux variance over both

  6. Proton transfer reactions between nitric acid and acetone, hydroxyacetone, acetaldehyde and benzaldehyde in the solid phase.

    PubMed

    Lasne, Jérôme; Laffon, Carine; Parent, Philippe

    2012-12-05

    The heterogeneous and homogeneous reactions of acetone, hydroxyacetone, acetaldehyde and benzaldehyde with solid nitric acid (HNO(3)) films have been studied with Reflection-Absorption Infrared Spectroscopy (RAIRS) under Ultra-High Vacuum (UHV) conditions in the 90-170 K temperature range. In the bulk or at the surface of the films, nitric acid transfers its proton to the carbonyl function of the organic molecules, producing protonated acetone-H(+), hydroxyacetone-H(+), acetaldehyde-H(+) and benzaldehyde-H(+), and nitrate anions NO(3)(-), a reaction not observed when nitric acid is previously hydrated [J. Lasne, C. Laffon and Ph. Parent, Phys. Chem. Chem. Phys., 2012, 14, 697]. This provides a molecular-scale description of the carbonyl protonation reaction in an acid medium, the first step of the acid-catalyzed condensation of carbonyl compounds, fuelling the growth of secondary organic aerosols (SOA) in the atmosphere.

  7. Sensitive gas chromatographic detection of acetaldehyde and acetone using a reduction gas detector

    NASA Technical Reports Server (NTRS)

    O'Hara, Dean; Singh, Hanwant B.

    1988-01-01

    The response of a newly available mercuric oxide Reduction Gas Detector (RGD-2) to subpicomole and larger quantities of acetaldehyde and acetone is tested. The RGD-2 is found to be capable of subpicomole detection for these carbonyls and is more sensitive than an FID (Flame Ionization Detector) by an order of magnitude. Operating parameters can be further optimized to make the RGD-2 some 20-40 times more sensitive than an FID. The detector is linear over a wide range and is easily adapted to a conventional gas chromatograph (GC). Such a GC-RGD-2 system should be suitable for atmospheric carbonyl measurements in clean as well as polluted environments.

  8. Ab Initio Quantum Calculations of Reactions in Astrophysical Ices: Acetaldehyde and Acetone with Ammonia

    NASA Astrophysics Data System (ADS)

    Chen, L.; Woon, D. E.

    2009-06-01

    Complex organic molecules, including amino acid precursors, have been observed in young stellar objects. Both laboratory and theoretical studies have shown that ice chemistry can play an important role in low-temperature synthetic pathways, with water serving as a catalyst that can significantly enhance reaction rates by lowering barriers or eliminating them altogether. Reactions between carbonyl species and ammonia are particularly promising, as shown in previous studies of the formaldehyde-ammonia reaction. In this study, we explore the reactions of ammonia with two larger carbonyl species, acetaldehyde and acetone, embedded in a water ice cluster. To examine the explicit impact of the water, we gradually increase the size of the cluster from 4H_2O to 12H_2O. Cluster calculations were performed at the MP2/{6-31}+G^{**} or B3LYP/{6-31}+G^{**} level. In order to account for the electrostatic contribution from bulk ice, the Polarizable Continuum Model (PCM) and Isodensity Surface Polarized Continuum Model (IPCM) were used to model reaction field solvation effects. For both acetaldehyde and acetone, the reactant is a charge transfer complex (a partial charge-transfer complex in small clusters and full proton-transfer complex in larger clusters). Rearrangement to amino-hydroxylated products can occur by surmounting a small reaction barrier. Stereo-selectivity is observed in the case of acetaldehyde. P. Ehrenfreund and S. B. Charnley, Ann. Rev. Astron. Astrophys. 38, 427 (2000). W. A. Schutte, L. J. Allamandola, and S. A. Sandford, Science 259, 1143 (1993) W. A. Schutte, L. J. Allamandola, and S. A. Sandford, Icarus 104, 118 (1993) D. E. Woon, Icarus 142, 550 (1999) S. P. Walch, C. W. Bauschicher, Jr., A. Ricca and E. L. O. Bakes, Chem. Phys. Lett, 333, 6 (2001)

  9. Direct measurement of Criegee intermediate (CH2OO) reactions with acetone, acetaldehyde, and hexafluoroacetone.

    PubMed

    Taatjes, Craig A; Welz, Oliver; Eskola, Arkke J; Savee, John D; Osborn, David L; Lee, Edmond P F; Dyke, John M; Mok, Daniel W K; Shallcross, Dudley E; Percival, Carl J

    2012-08-14

    Criegee biradicals, i.e., carbonyl oxides, are critical intermediates in ozonolysis and have been implicated in autoignition chemistry and other hydrocarbon oxidation systems, but until recently the direct measurement of their gas-phase kinetics has not been feasible. Indirect determinations of Criegee intermediate kinetics often rely on the introduction of a scavenger molecule into an ozonolysis system and analysis of the effects of the scavenger on yields of products associated with Criegee intermediate reactions. Carbonyl species, in particular hexafluoroacetone (CF(3)COCF(3)), have often been used as scavengers. In this work, the reactions of the simplest Criegee intermediate, CH(2)OO (formaldehyde oxide), with three carbonyl species have been measured by laser photolysis/tunable synchrotron photoionization mass spectrometry. Diiodomethane photolysis produces CH(2)I radicals, which react with O(2) to yield CH(2)OO + I. The formaldehyde oxide is reacted with a large excess of a carbonyl reactant and both the disappearance of CH(2)OO and the formation of reaction products are monitored. The rate coefficient for CH(2)OO + hexafluoroacetone is k(1) = (3.0 ± 0.3) × 10(-11) cm(3) molecule(-1) s(-1), supporting the use of hexafluoroacetone as a Criegee-intermediate scavenger. The reactions with acetaldehyde, k(2) = (9.5 ± 0.7) × 10(-13) cm(3) molecule(-1) s(-1), and with acetone, k(3) = (2.3 ± 0.3) × 10(-13) cm(3) molecule(-1) s(-1), are substantially slower. Secondary ozonides and products of ozonide isomerization are observed from the reactions of CH(2)OO with acetone and hexafluoroacetone. Their photoionization spectra are interpreted with the aid of quantum-chemical and Franck-Condon-factor calculations. No secondary ozonide was observable in the reaction of CH(2)OO with acetaldehyde, but acetic acid was identified as a product under the conditions used (4 Torr and 293 K).

  10. Infrared spectroscopy of acetone-methanol liquid mixtures: Hydrogen bond network

    NASA Astrophysics Data System (ADS)

    Max, Jean-Joseph; Chapados, Camille

    2005-01-01

    Acetone and methanol mixtures covering the whole solubility range are studied by Fourier transform infrared attenuated total reflectance spectroscopy. The strong bathochromic shifts observed on methanol OH and acetone CO stretch IR bands are related to hydrogen bonds between these groups. Factor analysis separates the spectra into four acetone and four methanol principal factors. A random molecular model developed for the acetone-water system [Max and Chapados, J. Chem. Phys. 119, 5632 (2003); 120, 6625 (2004)] was modified for the acetone-methanol system. This model, which takes into account H bonds accepted by methanol and acetone, is made up of 12 methanol and 11 acetone species. The 23 species abundances are regrouped according to evolving patterns or spectral similarities to compare them to the eight experimental factors. Methanol acetone mixtures are almost but not exactly random: the methanol oxygen atoms have stronger capacities than acetone to accept H bonds from methanol in the proportion 1.5 to 1. Since oxygen atoms are in excess, all labile hydrogen atoms will form H bonds. As acetone is added to methanol, its OH stretch band blueshifts as the number of accepted H bonds decreases. When methanol gives one H bond and accepts one, an H-bonding network is formed that was coined "chained organization." However, the acetone molecules do not sequester any methanol molecules by breaking or increasing the H-bond methanol network. Similarly, the methanol molecules do not sequester any acetone molecules. Consequently no acetone-methanol complex is formed in the mixtures. Gaussian simulation of the four principal factors in the methanol OH stretch region gave three distinct absorption regimes consisting of the OH stretch bands and their satellites that are identified as MeOH1, MeOH2, and MeOH3 (subscript indicates the number of H, covalent and H bond, which surround the oxygen). These regimes are related to those identified in the water-acetone system as OH2, OH3

  11. Acetaldehyde

    Integrated Risk Information System (IRIS)

    Acetaldehyde ; CASRN 75 - 07 - 0 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Effec

  12. Modelling bidirectional fluxes of methanol and acetaldehyde with the FORCAsT canopy exchange model

    NASA Astrophysics Data System (ADS)

    Ashworth, Kirsti; Chung, Serena H.; McKinney, Karena A.; Liu, Ying; Munger, J. William; Martin, Scot T.; Steiner, Allison L.

    2016-12-01

    The FORCAsT canopy exchange model was used to investigate the underlying mechanisms governing foliage emissions of methanol and acetaldehyde, two short chain oxygenated volatile organic compounds ubiquitous in the troposphere and known to have strong biogenic sources, at a northern mid-latitude forest site. The explicit representation of the vegetation canopy within the model allowed us to test the hypothesis that stomatal conductance regulates emissions of these compounds to an extent that its influence is observable at the ecosystem scale, a process not currently considered in regional- or global-scale atmospheric chemistry models.We found that FORCAsT could only reproduce the magnitude and diurnal profiles of methanol and acetaldehyde fluxes measured at the top of the forest canopy at Harvard Forest if light-dependent emissions were introduced to the model. With the inclusion of such emissions, FORCAsT was able to successfully simulate the observed bidirectional exchange of methanol and acetaldehyde. Although we found evidence that stomatal conductance influences methanol fluxes and concentrations at scales beyond the leaf level, particularly at dawn and dusk, we were able to adequately capture ecosystem exchange without the addition of stomatal control to the standard parameterisations of foliage emissions, suggesting that ecosystem fluxes can be well enough represented by the emissions models currently used.

  13. Uptake and Reactions of Formaldehyde, Acetaldehyde, Acetone, Propanal and Ethanol in Sulfuric Acid solutions at 200-240 K: Implications for upper tropospheric aerosol composition

    NASA Astrophysics Data System (ADS)

    Iraci, L. T.; Williams, M. B.; Axson, J.; Michelsen, R.

    2007-12-01

    The production of light absorbing, organic material in aerosol that is normally considered to be transparent in the UV and visible wavelength regions has significant implications for biogeochemical cycling and climate modelling. Production mechanisms likely involve carbonyl compounds such as formaldehyde, acetone, acetaldehyde and propanal that are present in significant quantities in the upper troposphere (UT). In this study, we have performed experiments focusing on a class of acid catalyzed carbonyl reactions, the formation of acetals. R2C=O + 2R'OH --> R2C(OR')2 + H2O Using a Knudsen cell apparatus, we have measured the rate of uptake of formaldehyde, acetaldehyde, acetone, propanal, and ethanol into sulfuric acid solutions ranging between 40-70 wt% of acid, containing 0-0.1 M of ethanol, acetone or formaldehyde at temperatures of 220-250 K. For all reactant pairs, the aldol condensation path, including self reaction, should be insignificant at the acidities studied. Evidence for reaction between organics was observed for all pairs, except those involving propanal which were likely limited by the very low solubility. We attribute enhanced uptake to the formation of acetals, such as 1,1-diethoxyethane and 2,2- diethoxypropane, among others. Enhanced uptake was observed to proceed on timescales > 1 hour and sometimes shows complex dependence on acidity that is likely related to speciation of the individual carbonyls in acidic solution. The acetal products do not absorb in the visible but are less volatile than parent molecules, allowing for accumulation in sulfuric acid particles, and enhanced uptake. Cross reactions of carbonyls with alcohols in sulfuric acid medium have not been previously measured, yet methanol and ethanol show high solubility and are present at significant concentrations in the UT. Thus even at slow reaction rates, the acetal reaction has ample starting material and proceeds under conditions common to the UT. We will present results for the

  14. Site Competition During Coadsorption of Acetone with Methanol and Water on TiO2(110)

    SciTech Connect

    Shen, Mingmin; Henderson, Michael A.

    2011-08-02

    The competitive interaction between acetone and two solvent molecules (methanol and water) for surface sites on rutile TiO2(110) was studied using temperature programmed desorption (TPD). On a vacuum reduced TiO2(110) surface, which possessed ~5% oxygen vacancy sites, excess methanol displaced preadsorbed acetone molecules to weakly bound and physisorbed desorption states below 200 K, whereas acetone was stabilized to 250 K against displacement by methanol on an oxidized surface through formation of an acetone-diolate species. These behaviors of acetone differ from the competitive interactions between acetone and water in that acetone is less susceptible to displacement by water. Examination of acetone+methanol and acetone+water multilayer combinations shows that acetone is more compatible in water-ice films than in methanol-ice films, presumably because water has greater potential as a hydrogen-bond donor than does methanol. Acetone molecules displaced from the TiO2(110) surface by water are more likely to be retained in the near-surface region, having a greater opportunity to revisit the surface, than when methanol is used as a coadsorbate. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  15. Quality Characteristics and Quantification of Acetaldehyde and Methanol in Apple Wine Fermentation by Various Pre-Treatments of Mash.

    PubMed

    Won, Seon Yi; Seo, Jae Soon; Kwak, Han Sub; Lee, Youngseung; Kim, Misook; Shim, Hyoung-Seok; Jeong, Yoonhwa

    2015-12-01

    The objective of this study was to compare the effects of adding lactic acid and pectinase, and chaptalization for the quality of apple wine and the production of hazardous compounds (methanol and acetaldehyde). The pH of all of the samples was below 4; therefore, mash seemed to be fermented without any issue. Total acidity was the highest in sample A due to lactic acid addition. Pre-treated groups (samples B, C, and D) showed higher total acidities than that of the control (P<0.05). Pre-treatments might influence the production of organic acids in apple wines. The control and pectinase added sample (sample B) had the lowest alcohol contents. Adding lactic acid produced more alcohol, and chaptalized samples produced more alcohol due to the addition of sugar. Adding pectinase with and without chaptalization was not effective for producing more alcohol. The control sample had significantly higher acetaldehyde content (2.39 mg/L) than the other samples (1.00~2.07 mg/L); therefore, pre-treatments for apple wine fermentation produced a lower amount of acetaldehyde. Among the pre-treated samples, samples C and D showed the lowest acetaldehyde content of 1.00 mg/L and 1.16 mg/L, respectively. On the other hand, a significantly higher amount of methanol was generated for sample A (1.03 mg/L) and sample D (1.22 mg/L) than that of the control (0.82 mg/L) (P<0.05). Adding lactic acid or chaptalization was effective in reducing methanol and acetaldehyde in apple wines.

  16. Quality Characteristics and Quantification of Acetaldehyde and Methanol in Apple Wine Fermentation by Various Pre-Treatments of Mash

    PubMed Central

    Won, Seon Yi; Seo, Jae Soon; Kwak, Han Sub; Lee, Youngseung; Kim, Misook; Shim, Hyoung-Seok; Jeong, Yoonhwa

    2015-01-01

    The objective of this study was to compare the effects of adding lactic acid and pectinase, and chaptalization for the quality of apple wine and the production of hazardous compounds (methanol and acetaldehyde). The pH of all of the samples was below 4; therefore, mash seemed to be fermented without any issue. Total acidity was the highest in sample A due to lactic acid addition. Pre-treated groups (samples B, C, and D) showed higher total acidities than that of the control (P<0.05). Pre-treatments might influence the production of organic acids in apple wines. The control and pectinase added sample (sample B) had the lowest alcohol contents. Adding lactic acid produced more alcohol, and chaptalized samples produced more alcohol due to the addition of sugar. Adding pectinase with and without chaptalization was not effective for producing more alcohol. The control sample had significantly higher acetaldehyde content (2.39 mg/L) than the other samples (1.00~2.07 mg/L); therefore, pre-treatments for apple wine fermentation produced a lower amount of acetaldehyde. Among the pre-treated samples, samples C and D showed the lowest acetaldehyde content of 1.00 mg/L and 1.16 mg/L, respectively. On the other hand, a significantly higher amount of methanol was generated for sample A (1.03 mg/L) and sample D (1.22 mg/L) than that of the control (0.82 mg/L) (P<0.05). Adding lactic acid or chaptalization was effective in reducing methanol and acetaldehyde in apple wines. PMID:26770917

  17. Acetone

    Integrated Risk Information System (IRIS)

    EPA / 635 / R - 03 / 004 www.epa.gov / iris TOXICOLOGICAL REVIEW OF ACETONE ( CAS No . 67 - 64 - 1 ) In Support of Summary Information on the Integrated Risk Information System ( IRIS ) May 2003 U.S . Environmental Protection Agency Washington , DC DISCLAIMER This document has been reviewed in accor

  18. A {sup 13}C NMR study of the condensation chemistry of acetone and acetaldehyde adsorbed at the Bronsted acid sites in H-ZSM-5

    SciTech Connect

    Biaglow, A.I.; Sepa, J.; Gorte, R.J.

    1995-02-01

    Several bimolecular, acid-catalyzed condensation reactions of acetone and acetaldehyde have been examined in H-ZSM-5, along with the adsorption complexes formed by the products, using {sup 13}C NMR. For acetone, the hydrogen-bonded adsorption complex is stable at room temperature and coverages below one molecule per Broensted acid site. Reaction to mesityl oxide occurs only at higher coverages or temperatures, which are necessary to induce site exchange. The adsorption complex exhibits reaction chemistry analogous to that observed in solution phase, forming adsorption complexes of chloroacetone upon exposure to Cl{sub 2} and of imines upon exposure to NH{sub 3} or dimethylamine. The reactions of acetaldehyde to crotonaldehyde and imines are similar, although they occur at a faster rate due to the higher mobility of this molecule. The adsorption complexes formed by acetone, acetaldehyde, and their condensation products can all be described as rigid, hydrogen-bonded complexes at low coverages. Complexes formed from imines and enamines exhibit isotropic chemical shifts nearly identical to those observed in magic acids, indicating that proton transfer is nearly complete for these molecules. The extent of proton transfer for the remaining molecules varies with the proton affinity of the molecule, ranging from close to complete proton transfer for mesityl oxide and crotonaldehyde to almost complete absence of proton transfer for the chloroacetones. The differences and similarities between these reactions in the zeolite and in solution phase are discussed, along with the implications for understanding the primary processes responsible for these reactions in zeolites. 34 refs., 16 figs., 1 tab.

  19. A Theoretical Investigation of the Plausibility of Reactions Between Ammonia and Carbonyl Species (Formaldehyde, Acetaldehyde, and Acetone) in Interstellar Ice Analogs at Ultracold Temperatures

    NASA Technical Reports Server (NTRS)

    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.

  20. Determination of induction period and crystal growth mechanism of dexamethasone sodium phosphate in methanol-acetone system

    NASA Astrophysics Data System (ADS)

    Hao, Hongxun; Wang, Jingkang; Wang, Yongli

    2005-02-01

    The induction period of dexamethasone sodium phosphate at different supersaturation was experimentally determined in a methanol-acetone system. The laser monitoring observation technique was used to determine the appearance of the first nucleus in solution. The effect of solution composition on induction period was discussed. Based on classical homogeneous nucleation theory, the solid-liquid interfacial tension and surface entropy factor were calculated from the induction period data. The experimentally determined values of interfacial tension are in agreement with the theoretical values predicted by the Mersmann equation. It was found that the nucleus of dexamethasone sodium phosphate grows continuously in pure methanol and turns from continuous growth to birth and spread growth with increasing acetone content in a methanol-acetone mixture.

  1. Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride.

    PubMed

    Guevara-Carrion, Gabriela; Janzen, Tatjana; Muñoz-Muñoz, Y Mauricio; Vrabec, Jadran

    2016-03-28

    Mutual diffusion coefficients of all 20 binary liquid mixtures that can be formed out of methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride without a miscibility gap are studied at ambient conditions of temperature and pressure in the entire composition range. The considered mixtures show a varying mixing behavior from almost ideal to strongly non-ideal. Predictive molecular dynamics simulations employing the Green-Kubo formalism are carried out. Radial distribution functions are analyzed to gain an understanding of the liquid structure influencing the diffusion processes. It is shown that cluster formation in mixtures containing one alcoholic component has a significant impact on the diffusion process. The estimation of the thermodynamic factor from experimental vapor-liquid equilibrium data is investigated, considering three excess Gibbs energy models, i.e., Wilson, NRTL, and UNIQUAC. It is found that the Wilson model yields the thermodynamic factor that best suits the simulation results for the prediction of the Fick diffusion coefficient. Four semi-empirical methods for the prediction of the self-diffusion coefficients and nine predictive equations for the Fick diffusion coefficient are assessed and it is found that methods based on local composition models are more reliable. Finally, the shear viscosity and thermal conductivity are predicted and in most cases favorably compared with experimental literature values.

  2. [Adaptation processes in mice during chronic combined exposure to radiation and chemical compounds (acetone, ethanol, acetaldehyde) innate to exploration missions].

    PubMed

    Tatarkin, S V; Shafirkin, A V; Mukhamedieva, L N; Barantseva, M Iu; Ivanova, S M

    2012-01-01

    The paper reports the results of experimental investigation with mice subjected to 63-day of daily 10-fold fractionated gamma-irradiation at the total dose of 350 cGy followed by 70-day exposure to chemical mixture (acetone, ethanol, acetate aldehyde) at close to maximum permissible concentrations innate to piloted space vehicles (MPCpsv). Measured levels of radiation and known radiation sensitivity of mice were used to model absorbed dose to cosmonauts on an exploration mission. Functional shifts in the hematopoietic system and changes in biochemical parameters of erythrocytes indicative of energy exchange and redox potential were tracked up during the combined radiation-chemical exposure and 90 days of recovery. It was shown that adaptation caused pronounced and strongly pronounced tension of regulatory mechanisms, particularly under the effects of radiation. High tension still persisted in the recovery period.

  3. High-performance liquid chromatographic method for the simultaneous detection of malonaldehyde, acetaldehyde, formaldehyde, acetone and propionaldehyde to monitor the oxidative stress in heart.

    PubMed

    Cordis, G A; Bagchi, D; Maulik, N; Das, D K

    1994-02-11

    Lipid peroxidation (LPO) is the oxidative deterioration of polyunsaturated fatty acids (PUFA) with the production of lipid hydroperoxides, cyclic peroxides, cyclic endoperoxides, and finally fragmentation to ketones and aldehydes (including malonaldehyde, MDA). Estimation of LPO through MDA formation measured by assaying thiobarbituric acid (TBA) reactive products remains the method of choice to study the development of oxidative stress in tissues. However, MDA estimation by TBA reactive products is non-specific and often gives erroneous results. In this report we describe a method using high-performance liquid chromatographic separation to estimate MDA, formaldehyde (FDA), acetaldehyde (ADA), acetone, and propionaldehyde (PDA), the degradation products of oxygen-derived free radicals (ODFR) and PUFA, as presumptive markers for LPO. Oxidative stress was induced in the tissue by perfusing an isolated rat heart with hydroxyl radical generating system (xanthine + xanthine oxidase + FeCl3 + EDTA). The coronary effluents were collected, derivatized with 2,4-dinitrophenylhydrazine (DNPH), and extracted with pentane. Aliquots of 25 microliters in acetonitrile were injected onto a Beckman Ultrasphere C18 (3 microns) column. The products were eluted isocratically with a mobile phase containing acetonitrile-water-acetic acid (40:60:0.1, v/v/v), measured at three different wavelengths (307, 325 and 356 nm) using a Waters M-490 multichannel UV detector and collected for gas chromatography-mass spectrometry (GC-MS) analysis. The peaks were identified by cochromatography with DNPH derivatives of authentic standards, peak addition, UV pattern of absorption at the three wavelengths, and by GC-MS. The retention items of MDA, FDA, ADA, acetone, and PDA were 5.3, 6.6, 10.3, 16.5, and 20.5 min, respectively. The results of our study indicated progressive increase of all five lipid metabolites as a function of the duration of ODFR perfusion. Hydroxyl radical scavengers, superoxide

  4. Effects of acetone, acetonitrile, ethanol, methanol and DMSO on cytochrome P450 in rainbow trout (Oncorhynchus mykiss) hepatic microsomes.

    PubMed

    Sakalli, Sidika; Burkina, Viktoriia; Zlabek, Vladimir; Zamaratskaia, Galia

    2015-01-01

    In vitro impacts of five organic solvents on cytochrome P450 (CYP450) enzyme activity were investigated using hepatic microsomes of rainbow trout. The rates of several CYP450-mediated reactions were investigated at solvent concentrations ranging from 0.01% to 3%. The solvents greatly affected all tested reactions. In at least 0.8% ethanol, 2% methanol or acetone, 1% acetonitrile or 3% dimethyl sulfoxide (DMSO), 7-ethoxyresorufin-O-deethylase (EROD) activity decreased and at 3% acetonitrile or ethanol, it was undetected. At 3%, all tested solvents except methanol reduced 7-benzyloxy-4-trifluoromethylcoumarin-O-debenzylase (BFCOD) activity, but at low concentrations of ethanol (2% and lower) or DMSO (1% and lower), it was induced. This was not seen with the inclusion of a pre-incubation step. p-Nitrophenolhydroxylase (PNPH) activity was not affected at concentrations below 1% DMSO, and at 2% acetonitrile it was reduced, as it was above 1% methanol or 0.5% ethanol. Acetone did not affect PNPH activity with or without a pre-incubation step. In general, the degree of inhibition was similar with and without the pre-incubation step. We conclude that the concentration of organic solvent for solubilizing the substrate and inhibitor in in vitro microsomal studies should be minimized.

  5. Acetonic and Methanolic Extracts of Heterotheca inuloides, and Quercetin, Decrease CCl4-Oxidative Stress in Several Rat Tissues

    PubMed Central

    Coballase-Urrutia, Elvia; Pedraza-Chaverri, José; Cárdenas-Rodríguez, Noemí; Huerta-Gertrudis, Bernardino; García-Cruz, Mercedes Edna; Montesinos-Correa, Hortencia; Sánchez-González, Dolores Javier; Camacho-Carranza, Rafael; Espinosa-Aguirre, Jesús Javier

    2013-01-01

    The present study was designed to test the hypothesis that the acetonic and methanolic extracts of H. inuloides prevent carbon tetrachloride-(CCl4) induced oxidative stress in vital tissues. Pretreatment with both H. inuloides extracts or quercetin attenuated the increase in serum activity of alkaline phosphatase (ALP), total bilirubin (BB), creatinine (CRE), and creatine kinase (CK), and impeded the decrease of γ-globulin (γ-GLOB) and albumin (ALB) observed in CCl4-induced tissue injury. The protective effect was confirmed by histological analysis with hematoxylin-eosin and periodic acid/Schiff's reagent. Level of lipid peroxidation was higher in the organs of rats exposed to CCl4 than in those of the animals treated with Heterohteca extracts or quercetin, and these showed levels similar to the untreated group. Pretreatment of animals with either of the extracts or quercetin also prevented the increase of 4-hydroxynonenal and 3-nitrotyrosine. Pretreatment with the plant extracts or quercetin attenuated CCl4 toxic effects on the activity of several antioxidant enzymes. The present results strongly suggest that the chemopreventive effect of the extracts used and quercetin, against CCl4 toxicity, is associated with their antioxidant properties and corroborated previous results obtained in liver tissue. PMID:23365610

  6. Acetonic and Methanolic Extracts of Heterotheca inuloides, and Quercetin, Decrease CCl(4)-Oxidative Stress in Several Rat Tissues.

    PubMed

    Coballase-Urrutia, Elvia; Pedraza-Chaverri, José; Cárdenas-Rodríguez, Noemí; Huerta-Gertrudis, Bernardino; García-Cruz, Mercedes Edna; Montesinos-Correa, Hortencia; Sánchez-González, Dolores Javier; Camacho-Carranza, Rafael; Espinosa-Aguirre, Jesús Javier

    2013-01-01

    The present study was designed to test the hypothesis that the acetonic and methanolic extracts of H. inuloides prevent carbon tetrachloride-(CCl(4)) induced oxidative stress in vital tissues. Pretreatment with both H. inuloides extracts or quercetin attenuated the increase in serum activity of alkaline phosphatase (ALP), total bilirubin (BB), creatinine (CRE), and creatine kinase (CK), and impeded the decrease of γ-globulin (γ-GLOB) and albumin (ALB) observed in CCl(4)-induced tissue injury. The protective effect was confirmed by histological analysis with hematoxylin-eosin and periodic acid/Schiff's reagent. Level of lipid peroxidation was higher in the organs of rats exposed to CCl(4) than in those of the animals treated with Heterohteca extracts or quercetin, and these showed levels similar to the untreated group. Pretreatment of animals with either of the extracts or quercetin also prevented the increase of 4-hydroxynonenal and 3-nitrotyrosine. Pretreatment with the plant extracts or quercetin attenuated CCl(4) toxic effects on the activity of several antioxidant enzymes. The present results strongly suggest that the chemopreventive effect of the extracts used and quercetin, against CCl(4) toxicity, is associated with their antioxidant properties and corroborated previous results obtained in liver tissue.

  7. Adsorptive Separation of Methanol-Acetone on Isostructural Series of Metal-Organic Frameworks M-BTC (M = Ti, Fe, Cu, Co, Ru, Mo): A Computational Study of Adsorption Mechanisms and Metal-Substitution Impacts.

    PubMed

    Wu, Ying; Chen, Huiyong; Xiao, Jing; Liu, Defei; Liu, Zewei; Qian, Yu; Xi, Hongxia

    2015-12-09

    The adsorptive separation properties of M-BTC isostructural series (M = Ti, Fe, Cu, Co, Ru, Mo) for methanol-acetone mixtures were investigated by using various computational procedures of grand canonical Monte Carlo simulations (GCMC), density functional theory (DFT), and ideal adsorbed solution theory (IAST), following with comprehensive understanding of adsorbate-metal interactions on the adsorptive separation behaviors. The obtained results showed that the single component adsorptions were driven by adsorbate-framework interactions at low pressures and by framework structures at high pressures, among which the mass effects, electrostatics, and geometric accessibility of the metal sites also played roles. In the case of methanol-acetone separation, the selectivity of methanol on M-BTCs decreased with rising pressures due to the pressure-dependent separation mechanisms: the cooperative effects between methanol and acetone hindered the separation at low pressures, whereas the competitive effects of acetone further resulted in the lower selectivity at high pressures. Among these M-BTCs, Ti and Fe analogues exhibited the highest thermodynamic methanol/acetone selectivity, making them promising for adsorptive methanol/acetone separation processes. The investigation provides mechanistic insights on how the nature of metal centers affects the adsorption properties of MOFs, and will further promote the rational design of new MOF materials for effective gas mixture separation.

  8. Methanol

    Integrated Risk Information System (IRIS)

    EPA / 635 / R - 11 / 001Fa www.epa.gov / iris TOXICOLOGICAL REVIEW OF METHANOL ( NONCANCER ) ( CAS No . 67 - 56 - 1 ) In Support of Summary Information on the Integrated Risk Information System ( IRIS ) September 2013 U.S . Environmental Protection Agency Washington , DC ii DISCLAIMER This document

  9. Acetaldehyde and gastric cancer.

    PubMed

    Salaspuro, Mikko

    2011-04-01

    Aldehyde dehydrogenase (ALDH2) and alcohol dehydrogenase (ADH) gene polymorphisms associating with enhanced acetaldehyde exposure and markedly increased cancer risk in alcohol drinkers provide undisputable evidence for acetaldehyde being a local carcinogen not only in esophageal but also in gastric cancer. Accordingly, acetaldehyde associated with alcoholic beverages has recently been classified as a Group 1 carcinogen to humans. Microbes are responsible for the bulk of acetaldehyde production from ethanol both in saliva and Helicobacter pylori-infected and achlorhydric stomach. Acetaldehyde is the most abundant carcinogen in tobacco smoke and it readily dissolves into saliva during smoking. Many foodstuffs and 'non-alcoholic' beverages are important but unrecognized sources of local acetaldehyde exposure. The cumulative cancer risk associated with increasing acetaldehyde exposure suggests the need for worldwide screening of the acetaldehyde levels of alcoholic beverages and as well of the ethanol and acetaldehyde of food produced by fermentation. The generally regarded as safe status of acetaldehyde should be re-evaluated. The as low as reasonably achievable principle should be applied to the acetaldehyde of alcoholic and non-alcoholic beverages and food. Risk groups with ADH-and ALDH2 gene polymorphisms, H. pylori infection or achlorhydric atrophic gastritis, or both, should be screened and educated in this health issue. L-cysteine formulations binding carcinogenic acetaldehyde locally in the stomach provide new means for intervention studies.

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

    NASA Technical Reports Server (NTRS)

    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.

  11. Hepatotoxicity of acetaldehyde in rats.

    PubMed

    Strubelt, O; Younes, M; Urch, T; Breining, H; Pentz, R

    1987-11-01

    The ability of acetaldehyde to initiate hepatotoxicity as evidenced by enzyme leakage, hepatic fat accumulation and histological alterations was studied in rats. Neither oral nor intraperitoneal treatment with acetaldehyde had any hepatotoxic effect, even following aldehyde dehydrogenase inhibition by disulfiram. This is probably due to the inability of exogenously added acetaldehyde to penetrate liver cell membranes. In contrast, acetaldehyde derived metabolically from ethanol was capable of inducing moderate hepatotoxicity when it accumulated upon pretreatment with disulfiram. Acetaldehyde may thus be partly responsible for alcohol-induced liver damage.

  12. Acetaldehyde: A Chemical Whose Fortunes Have Changed.

    ERIC Educational Resources Information Center

    Wittcoff, Harold A.

    1983-01-01

    Describes industrial acetaldehyde synthesis/uses, explaining why acetaldehyde usage is declining in industry. Includes a discussion of the reaction chemistry, equations, and molecular structure diagrams. (JM)

  13. 27 CFR 21.93 - Acetaldehyde.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... OF THE TREASURY LIQUORS FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.93 Acetaldehyde. (a) Aldehyde content (as acetaldehyde). Not less than 95.0 percent by weight. (b)...

  14. Methanol in dark clouds

    NASA Technical Reports Server (NTRS)

    Friberg, P.; Hjalmarson, A.; Madden, S. C.; Irvine, W. M.

    1988-01-01

    The first observation of methanol in cold dark clouds TMC 1, L 134 N, and B 335 is reported. In all three clouds, the relative abundance of methanol was found to be in the range of 10 to the -9th (i.e., almost an order of magnitude more abundant than acetaldehyde), with no observable variation between the clouds. Methanol emission showed a complex velocity structure; in TMC 1, clear indications of non-LTE were observed. Dimethyl ether was searched for in L 134 N; the upper limit of the column density of dimethyl ether in L 134 N was estimated to be 4 x 10 to the 12th/sq cm, assuming 5 K rotation temperature and LTE. This limit makes the abundance ratio (CH3)2O/CH3OH not higher than 1/5, indicating that dimethyl ether is not overabundant in this dark cloud.

  15. 27 CFR 21.93 - Acetaldehyde.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false Acetaldehyde. 21.93 Section 21.93 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT... Acetaldehyde. (a) Aldehyde content (as acetaldehyde). Not less than 95.0 percent by weight. (b)...

  16. 27 CFR 21.93 - Acetaldehyde.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Acetaldehyde. 21.93 Section 21.93 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT... Acetaldehyde. (a) Aldehyde content (as acetaldehyde). Not less than 95.0 percent by weight. (b)...

  17. [Biological actions of acetaldehyde].

    PubMed

    Ijiri, I

    1999-11-01

    Acetaldehyde (AcH), the first metabolite of ethanol (EtOH), is a chemically reactive and pharmacologically active compound. The author has been engaged in the study of AcH in cooperation with many researchers for three decades. We have found many biological actions of AcH which cause cardiovascular symptoms after drinking and also inhibited EtOH absorption via the canine and rat intestinal tract. This report covers the following five points. 1. The subjects were classified into a non-flushing group and a flushing group, according to the degree of facial flushing after drinking 200 ml of Sake (Japanese rice wire) at a rate of 100 ml per 5 min. Blood EtOH profile was much the same in both groups, yet peak blood AcH concentration in the flushing group was significantly higher than that in the non-flushing group. All subjects in the flushing group showed marked flushing and an increase in pulse rate after drinking, but these symptoms were not apparent in the non-flushing group. These results suggested that cardiovascular symptoms were caused by AcH itself. 2. Urinary excretions of both norepinephrine and epinephrine increased in the flushing cases after drinking Sake in comparison with those who drank the same volume of water. However, these catecholamines did not change in the non-flushing group. These results suggested that it is catecholamines released from the sympathetic nerve end or the adrenal medulla by AcH which caused an increase in pulse rate. 3. Bradykinin is released from high molecular kininogen by activated kallikrein and acts to dilate distal blood vessels and raise permeability in tissues. On the other hand, kallidin is released from low molecular kininogen by activated glandular kallikrein and its action is weaker than that of bradykinin. Blood low molecular kininogen levels in the flushing group decreased gradually after drinking and were mutually related to the blood AcH concentrations. But levels in the non-flushing group showed no difference

  18. Interrelationship between alcohol, smoking, acetaldehyde and cancer.

    PubMed

    Salaspuro, Mikko

    2007-01-01

    In industrialized countries alcohol and tobacco are the main risk factors of upper digestive tract cancer. With regard to the pathogenesis of these cancers, there is strong epidemiological, biochemical and genetic evidence supporting the role of the first metabolite of alcohol oxidation--acetaldehyde--as a common denominator. Alcohol is metabolized to acetaldehyde locally in the oral cavity by microbes representing normal oral flora. Poor oral hygiene, heavy drinking and chronic smoking modify oral flora to produce more acetaldehyde from ingested alcohol. Also, tobacco smoke contains acetaldehyde, which during smoking becomes dissolved in saliva. Via swallowing, salivary acetaldehyde of either origin is distributed from oral cavity to pharynx, oesophagus and stomach. Strongest evidence for the local carcinogenic action of acetaldehyde provides studies with ALDH2-deficient Asian drinkers, who form an exceptional human model for long-term acetaldehyde exposure. After drinking alcohol they have an increased concentration of acetaldehyde in their saliva and this is associated with over 10-fold risk of upper digestive tract cancers. In conclusion, acetaldehyde derived either from ethanol or tobacco appears to act in the upper digestive tract as a local carcinogen in a dose-dependent and synergistic way.

  19. Vibrational force constants for acetaldehyde

    NASA Astrophysics Data System (ADS)

    Nikolova, B.

    1990-05-01

    The vibrational force field of ethanal (acetaldehyde), CH 3CHO, is refined by using procedures with differential increments for the force constants (Commun. Dep. Chem., Bulg. Acad. Sci., 21/3 (1988) 433). The characteristics general valence force constants of the high-dimensional symmetry classes of ethanal, A' of tenth and A″ of fifth order, are determined for the experimental assignment of bands. The low barrier to hindered internal rotation about the single carbon—carbon bond is quantitatively estimated on the grounds of normal vibrational analysis.

  20. Proton transfer in acetaldehyde and acetaldehyde-water clusters: Vacuum ultraviolet photoionization experiment and theoretical calculations

    NASA Astrophysics Data System (ADS)

    Kostko, Oleg; Troy, Tyler P.; Bandyopadhyay, Biswajit; Ahmed, Musahid

    2015-03-01

    Acetaldehyde, a probable human carcinogen and of environmental importance, upon solvation provides a test bed for understanding proton transfer pathways and catalytic mechanisms. In this study, we report on single photon vacuum ultraviolet photoionization of small acetaldehyde and acetaldehyde-water clusters. Appearance energies of protonated clusters are extracted from the experimental photoionization efficiency curves and compared to electronic structure calculations. The comparison of experimental data to computational results provides mechanistic insight into the fragmentation mechanisms of the observed mass spectra. Using deuterated water for isotopic tagging, we observe that proton transfer is mediated via acetaldehyde and not water in protonated acetaldehyde-water clusters.

  1. Novel physiological roles for glutathione in sequestering acetaldehyde to confer acetaldehyde tolerance in Saccharomyces cerevisiae.

    PubMed

    Matsufuji, Yoshimi; Yamamoto, Kohei; Yamauchi, Kosei; Mitsunaga, Tohru; Hayakawa, Takashi; Nakagawa, Tomoyuki

    2013-01-01

    In this work, we identified novel physiological functions of glutathione in acetaldehyde tolerance in Saccharomyces cerevisiae. Strains deleted in the genes encoding the enzymes involved in glutathione synthesis and reduction, GSH1, GSH2 and GLR1, exhibited severe growth defects compared to wild-type under acetaldehyde stress, although strains deleted in the genes encoding glutathione peroxidases or glutathione transferases did not show any growth defects. On the other hand, intracellular levels of reduced glutathione decreased in the presence of acetaldehyde in response to acetaldehyde concentration. Moreover, we show that glutathione can trap a maximum of four acetaldehyde molecules within its molecule in a non-enzymatic manner. Taken together, these findings suggest that glutathione has an important role in acetaldehyde tolerance, as a direct scavenger of acetaldehyde in the cell.

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

    PubMed Central

    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 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. PMID:27298750

  3. Fate of acetone in water

    USGS Publications Warehouse

    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.

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

    NASA Astrophysics Data System (ADS)

    Wang, Wenqing; Cui, Xiaoyu; Zhu, Yue

    2016-12-01

    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. Recycling of acetone by distillation

    SciTech Connect

    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.

  6. Role of acetaldehyde in tobacco smoke addiction.

    PubMed

    Talhout, Reinskje; Opperhuizen, Antoon; van Amsterdam, Jan G C

    2007-10-01

    This review evaluates the presumed contribution of acetaldehyde to tobacco smoke addiction. In rodents, acetaldehyde induces reinforcing effects, and acts in concert with nicotine. Harman and salsolinol, condensation products of acetaldehyde and biogenic amines, may be responsible for the observed reinforcing effect of acetaldehyde. Harman and salsolinol inhibit monoamine oxidase (MAO), and some MAO-inhibitors are known to increase nicotine self-administration and maintain behavioural sensitization to nicotine. Harman is formed in cigarette smoke, and blood harman levels appear to be 2-10 times higher compared to non-smokers. Since harman readily passes the blood-brain barrier and has sufficient MAO-inhibiting potency, it may contribute to the lower MAO-activity observed in the brain of smokers. In contrast, the minor amounts of salsolinol that can be formed in vivo most likely do not contribute to tobacco addiction. Thus, acetaldehyde may increase the addictive potential of tobacco products via the formation of acetaldehyde-biogenic amine adducts in cigarette smoke and/or in vivo, but further research is necessary to substantiate this hypothesis.

  7. A study of global atmospheric budget and distribution of acetone using global atmospheric model STOCHEM-CRI

    NASA Astrophysics Data System (ADS)

    Khan, M. A. H.; Cooke, M. C.; Utembe, S. R.; Archibald, A. T.; Maxwell, P.; Morris, W. C.; Xiao, P.; Derwent, R. G.; Jenkin, M. E.; Percival, C. J.; Walsh, R. C.; Young, T. D. S.; Simmonds, P. G.; Nickless, G.; O'Doherty, S.; Shallcross, D. E.

    2015-07-01

    The impact of including a more detailed VOC oxidation scheme (CRI v2-R5) with a multi-generational approach for simulating tropospheric acetone is investigated using a 3-D global model, STOCHEM-CRI. The CRI v2-R5 mechanism contains photochemical production of acetone from monoterpenes which account for 64% (46.8 Tg/yr) of the global acetone sources in STOCHEM-CRI. Both photolysis and oxidation by OH in the troposphere contributes equally (42%, each) and dry deposition contributes 16% of the atmospheric sinks of acetone. The tropospheric life-time and the global burden of acetone are found to be 18 days and 3.5 Tg, respectively, these values being close to those reported in the study of Jacob et al. (2002). A dataset of aircraft campaign measurements are used to evaluate the inclusion of acetone formation from monoterpenes in the CRI v2-R5 mechanism used in STOCHEM-CRI. The overall comparison between measurements and models show that the parameterised approach in STOCHEM-NAM (no acetone formation from monoterpenes) underpredicts the mixing ratios of acetone in the atmosphere. However, using a detailed monoterpene oxidation mechanism forming acetone has brought the STOCHEM-CRI into closer agreement with measurements with an improvement in the vertical simulation of acetone. The annual mean surface distribution of acetone simulated by the STOCHEM-CRI shows a peak over forested regions where there are large biogenic emissions and high levels of photochemical activity. Year-long observations of acetone and methanol at the Mace Head research station in Ireland are compared with the simulated acetone and methanol produced by the STOCHEM-CRI and found to produce good overall agreement between model and measurements. The seasonal variation of model and measured acetone levels at Mace Head, California, New Hampshire and Minnesota show peaks in summer and dips in winter, suggesting that photochemical production may have the strongest effect on its seasonal trend.

  8. Methanol production from fermentor off-gases

    NASA Astrophysics Data System (ADS)

    Dale, B. E.; Moreira, A. R.

    The off gases from an acetone butanol fermentation facility are composed mainly of CO2 and H2. Such a gas stream is an ideal candidate as a feed to a methanol synthesis plant utilizing modern technology recently developed and known as the CDH-methanol process. A detailed economic analysis for the incremental cost of a methanol synthesis plant utilizing the off gases from an acetone butanol fermentation indicates a profitable rate of return of 25 to 30% under the most likely production conditions. Bench scale studies at different fermentor mixing rates indicate that the volume of gases released during the fermentation is a strong function of the agitation rate and point to a potential interaction between the volume of H2 evolved and the levels of butanol present in the final fermented broth. Such interaction may require establishing optimum operating conditions for an integrated butanol fermentation methanol synthesis plant.

  9. Deployment of a Fast-GCMS System to Measure C2 to C5 Carbonyls, Methanol and Ethanol Aboard Aircraft

    NASA Technical Reports Server (NTRS)

    Apel, Eric C.

    2004-01-01

    Through funding of this proposal, a fast response gas chromatograph/mass spectrometer (FGCMS) instrument to measure less than or equal to C4 carbonyl compounds and methanol was developed for the NASA GTE TRACE-P (Global Tropospheric Experiment, Transport And Chemical Evolution Over The Pacific) mission. The system consists of four major components: sample inlet, preconcentration system, gas chromatograph (GC), and detector. The preconcentration system is a custom-built cryogen-conservative system. The GC is a compact, custom-built unit that can be temperature programmed and rapidly cooled. Detection is accomplished with an Agilent Technologies 5973 mass spectrometer. The FGCMS instrument provides positive identification because the compounds are chromatographically separated and mass selected. During TRACE-P, a sample was analyzed every 5 minutes. The FGCMS limit of detection was between 5 and 75 pptv, depending on the compound. The entire instrument package is contained in a standard NASA instrument rack (106 cm x 61 cm x 135 cm), consumes less than 1200 watts and is fully automated with LabViEW 6i. Methods were developed or producing highly accurate gas phase standards for the target compounds and for testing the system in the presence of potential interferents. This report presents data on these tests and on the general overall performance of the system in the laboratory and aboard the DC-8 aircraft during the mission. Vertical profiles for acetaldehyde, methanol, acetone, propanal, methyl ethyl ketone, and butanal from FGCMS data collected over the entire mission are also presented.

  10. Commentary: acetaldehyde and epithelial-to-mesenchymal transition in colon.

    PubMed

    Rao, Radhakrishna K

    2014-02-01

    Elamin and colleagues in this issue report that acetaldehyde activates Snail, a transcription factor involved in epithelial-to-mesenchymal transition, in an intestinal epithelium. Snail mediates acetaldehyde-induced tight junction disruption and increase in paracellular permeability. Results of this study and other previous studies raise several important questions. This commentary addresses these questions by discussing the acetaldehyde concentration in colon, disruption of epical junctional complexes in the intestinal epithelium by acetaldehyde, and the consequence of long-term exposure to acetaldehyde on colonic epithelial regeneration, carcinogenesis, and metastases. The precise role of acetaldehyde in colonic epithelial modifications and promotion of colorectal cancers still remains to be understood.

  11. Acetaldehyde and ethanol production by Helicobacter pylori.

    PubMed

    Salmela, K S; Roine, R P; Höök-Nikanne, J; Kosunen, T U; Salaspuro, M

    1994-04-01

    By virtue of possessing alcohol dehydrogenase activity, cytosol prepared from Helicobacter pylori produces toxic acetaldehyde from ethanol in vitro. To approach the in vivo situation in the stomach, we have now investigation whether intact H. pylori--without addition of exogenous nicotinamide adenine dinucleotide--also forms acetaldehyde. Furthermore, to assess the energy metabolism of H. pylori, we determined whether the alcohol dehydrogenase-catalyzed reaction can run in the opposite direction with ethanol as the end-product and thereby yield energy for the organism. Intact H. pylori formed acetaldehyde already at low ethanol concentrations (at 0.5% ethanol, acetaldehyde, 64 +/- 21 and 75 +/- 9 mumol/l (mean +/- SEM) for strains NCTC 11637 and NCTC 11638, respectively). H. pylori produced ethanol in concentrations that can be significant for the energy metabolism of the organism. Acetaldehyde production by H. pylori may be an important factor in the pathogenesis of gastroduodenal diseases associated with the organism. The primary function of H. pylori alcohol dehydrogenase may, however, be alcoholic fermentation and consequent energy production under microaerobic conditions.

  12. Assessment of acetone as an alternative to acetonitrile in peptide analysis by liquid chromatography/mass spectrometry.

    PubMed

    Fritz, Ria; Ruth, Wolfgang; Kragl, Udo

    2009-07-01

    Acetonitrile as a solvent used in liquid chromatography/mass spectrometry (LC/MS) of peptides and proteins is a relatively toxic solvent (LD50 oral; rat; 2,460 mg/kg) compared to alternatives like methanol (LD50 oral; rat; 5,628 mg/kg) and acetone (LD50 oral; rat; 5,800 mg/kg). Strategies to minimize its consumption in LC are either to reduce the inner diameter of the column or replace acetonitrile with a suitable alternative. Methanol is often recommended to replace acetonitrile in peptide analysis. In this study however, the main focus lies on another alternative solvent for LC/MS of peptides; acetone. A number of model proteins were tryptically digested and the peptide solutions were analyzed on a linear trap quadrupole (LTQ) mass spectrometer. The performances of acetonitrile, methanol and acetone were compared according to the quality of the chromatograms obtained and identification of the peptides using the BioWorks software developed by Thermo Scientific. In accordance to the elutropic series, acetone was found to significantly reduce the retention times of peptides separated by C18 column material with regard to acetonitrile while methanol led to increased retention times. Acetone was the superior solvent to methanol for most of the tested model proteins reaching similar sequence coverage and numbers of identified peptides as acetonitrile. We therefore propose acetone as an alternative to acetonitrile in LC/MS of peptides.

  13. Para-methylstyrene from toluene and acetaldehyde

    SciTech Connect

    Innes, R.A.; Occelli, M.L.

    1984-08-01

    High yields of para-methylstyrene (PMS) were obtained in this study by coupling toluene and acetaldehyde then cracking the resultant 1,1-ditolylethane (DTE) to give equimolar amounts of PMS and toluene. In the first step, a total DTE and ''trimer'' yield of 98% on toluene and 93% on acetaldehyde was obtained using 98% sulfuric acid as catalyst at 5-10/sup 0/C. In the second step, a choline chloride-offretite cracked DTE with 84.0% conversion and 91% selectivity to PMS and toluene. Additional PMS can be obtained by cracking the by-product ''trimer'' formed by coupling DTE and toluene with acetaldehyde. Zeolite Rho was as active but yielded less PMS (86%) and produced more para-ethyltoluene (PET), an undesirable by-product.

  14. Heterogeneous Interactions of Acetaldehyde and Sulfuric Acid

    NASA Technical Reports Server (NTRS)

    Michelsen, R. R.; Ashbourn, S. F. M.; Iraci, L. T.

    2004-01-01

    The uptake of acetaldehyde [CH3CHO] by aqueous sulfuric acid has been studied via Knudsen cell experiments over ranges of temperature (210-250 K) and acid concentration (40-80 wt. %) representative of the upper troposphere. The Henry's law constants for acetaldehyde calculated from these data range from 6 x 10(exp 2) M/atm for 40 wt. % H2SO4 at 228 K to 2 x 10(exp 5) M/atm for 80 wt. % H2SO4 at 212 K. In some instances, acetaldehyde uptake exhibits apparent steady-state loss. The possible sources of this behavior, including polymerization, will be explored. Furthermore, the implications for heterogeneous reactions of aldehydes in sulfate aerosols in the upper troposphere will be discussed.

  15. Acetaldehyde detoxification using resting cells of recombinant Escherichia coli overexpressing acetaldehyde dehydrogenase.

    PubMed

    Yao, Zhengying; Zhang, Chong; Zhao, Junfeng; Lu, Fengxia; Bie, Xiaomei; Lu, Zhaoxin

    2014-02-01

    Acetaldehyde dehydrogenase (E.C. 1.2.1.10) plays a key role in the acetaldehyde detoxification. The recombinant Escherichia coli cells producing acetaldehyde dehydrogenase (ist-ALDH) were applied as whole-cell biocatalysts for biodegradation of acetaldehyde. Response surface methodology (RSM) was employed to enhance the production of recombinant ist-ALDH. Under the optimum culture conditions containing 20.68 h post-induction time, 126.75 mL medium volume and 3 % (v/v) inoculum level, the maximum ist-ALDH activity reached 496.65 ± 0.81 U/mL, resulting in 12.5-fold increment after optimization. Furthermore, the optimum temperature and pH for the catalytic activity of wet cells were 40 °C and pH 9.5, respectively. The biocatalytic activity was improved 80 % by permeabilizing the recombinant cells with 0.075 % (v/v) Triton X-100. When using 2 mmol/L NAD(+) as coenzyme, the permeabilized cells could catalyze 98 % of acetaldehyde within 15 min. The results indicated that the recombinant E. coli with high productivity of ist-ALDH might be highly efficient and easy-to-make biocatalysts for acetaldehyde detoxification.

  16. Metabolic engineering of acetaldehyde production by Streptococcus thermophilus.

    PubMed

    Chaves, A C S D; Fernandez, M; Lerayer, A L S; Mierau, I; Kleerebezem, M; Hugenholtz, J

    2002-11-01

    The process of acetaldehyde formation by the yogurt bacterium Streptococcus thermophilus is described in this paper. Attention was focused on one specific reaction for acetaldehyde formation catalyzed by serine hydroxymethyltransferase (SHMT), encoded by the glyA gene. In S. thermophilus, SHMT also possesses threonine aldolase (TA) activity, the interconversion of threonine into glycine and acetaldehyde. In this work, several wild-type S. thermophilus strains were screened for acetaldehyde production in the presence and absence of L-threonine. Supplementation of the growth medium with L-threonine led to an increase in acetaldehyde production. Furthermore, acetaldehyde formation during fermentation could be correlated to the TA activity of SHMT. To study the physiological role of SHMT, a glyA mutant was constructed by gene disruption. Inactivation of glyA resulted in a severe reduction in TA activity and complete loss of acetaldehyde formation during fermentation. Subsequently, an S. thermophilus strain was constructed in which the glyA gene was cloned under the control of a strong promoter (P(LacA)). When this strain was used for fermentation, an increase in TA activity and in acetaldehyde and folic acid production was observed. These results show that, in S. thermophilus, SHMT, displaying TA activity, constitutes the main pathway for acetaldehyde formation under our experimental conditions. These findings can be used to control and improve acetaldehyde production in fermented (dairy) products with S. thermophilus as starter culture.

  17. Acetaldehyde and the genome: beyond nuclear DNA adducts and carcinogenesis.

    PubMed

    Brooks, Philip J; Zakhari, Samir

    2014-03-01

    The designation of acetaldehyde associated with the consumption of alcoholic beverages as "carcinogenic to humans" (Group 1) by the International Agency for Research on Cancer (IARC) has brought renewed attention to the biological effects of acetaldehyde, as the primary oxidative metabolite of alcohol. Therefore, the overall focus of this review is on acetaldehyde and its direct and indirect effects on the nuclear and mitochondrial genome. We first consider different acetaldehyde-DNA adducts, including a critical assessment of the evidence supporting a role for acetaldehyde-DNA adducts in alcohol related carcinogenesis, and consideration of additional data needed to make a conclusion. We also review recent data on the role of the Fanconi anemia DNA repair pathway in protecting against acetaldehyde genotoxicity and carcinogenicity, as well as teratogenicity. We also review evidence from the older literature that acetaldehyde may impact the genome indirectly, via the formation of adducts with proteins that are themselves critically involved in the maintenance of genetic and epigenetic stability. Finally, we note the lack of information regarding acetaldehyde effects on the mitochondrial genome, which is notable since aldehyde dehydrogenase 2 (ALDH2), the primary acetaldehyde metabolic enzyme, is located in the mitochondrion, and roughly 30% of East Asian individuals are deficient in ALDH2 activity due to a genetic variant in the ALDH2 gene. In summary, a comprehensive understanding of all of the mechanisms by which acetaldehyde impacts the function of the genome has implications not only for alcohol and cancer, but types of alcohol related pathologies as well.

  18. Prebiotic synthesis of imidazole-4-acetaldehyde and histidine

    NASA Technical Reports Server (NTRS)

    Shen, Chun; Oro, J.; Yang, Lily; Miller, Stanley L.

    1987-01-01

    The prebiotic synthesis of imidazole-4-acetaldehyde and imidazole-4-glycol from erythrose and formamidine has been demonstrated as well as the prebiotic synthesis of imidazole-4-ethanol and imidazole-4-glycol from erythrose, formaldehyde, and ammonia. The maximum yields of imidazole-4-acetaldehyde, imidazole-4-ethanol, and imidazole-4-glycol obtained in these reactions are 1.6, 5.4, and 6.8 percent respectively, based on the erythrose. Imidazole-4-acetaldehyde would have been converted to histidine on the primitive earth by a Strecker synthesis, and several prebiotic reactions would convert imidazole-4-glycol and imidazole-4-ethanol to imidazole-4-acetaldehyde.

  19. Experimental and modeling study of the oxidation of acetaldehyde in an atmospheric-pressure pulsed corona discharge

    NASA Astrophysics Data System (ADS)

    Klett, C.; Touchard, S.; Vega-Gonzalez, A.; Redolfi, M.; Bonnin, X.; Hassouni, K.; Duten, X.

    2012-08-01

    This paper reports the results obtained for the degradation of acetaldehyde by an atmospheric plasma corona discharge working in a pulsed regime. It was shown that a few hundred ppm of acetaldehyde diluted in a pure N2 gas flow can be removed up to 80% by a discharge fed with an electric power lower than 1 W. Under the same conditions, adding up to 5% of O2 allowed the removal of up to 95% of the initial acetaldehyde. The main identified end products were CO2, CO and methanol. A quasi-homogeneous zero-dimensional chemical model was developed to investigate the respective efficiency of the discharge and post-discharge periods in the global removal of the pollutant. The identified main pathways of acetaldehyde degradation were quenching of N2 metastable states during plasma pulses and oxidation by O and OH radicals during the post-discharge. This latter contribution increased with input power because of ozone accumulation in the gas mixture acting as an additional oxygen reservoir.

  20. Biochemical basis of mitochondrial acetaldehyde dismutation in Saccharomyces cerevisiae.

    PubMed Central

    Thielen, J; Ciriacy, M

    1991-01-01

    As reported previously, Saccharomyces cerevisiae cells deficient in all four known genes coding for alcohol dehydrogenases (ADH1 through ADH4) produce considerable amounts of ethanol during aerobic growth on glucose. It has been suggested that ethanol production in such adh0 cells is a corollary of acetaldehyde dismutation in mitochondria. This could be substantiated further by showing that mitochondrial ethanol formation requires functional electron transport, while the proton gradient or oxidative phosphorylation does not interfere with reduction of acetaldehyde in isolated mitochondria. This acetaldehyde-reducing activity is different from classical alcohol dehydrogenases in that it is associated with the inner mitochondrial membrane and also is unable to carry out ethanol oxidation. The putative cofactor is NADH + H+ generated by a soluble, matrix-located aldehyde dehydrogenase upon acetaldehyde oxidation to acetate. This enzyme has been purified from mitochondria of glucose-grown cells. It is clearly different from the known mitochondrial aldehyde dehydrogenase, which is absent in glucose-grown cells. Both acetaldehyde-reducing and acetaldehyde-oxidizing activities are also present in the mitochondrial fraction of fermentation-proficient (ADH+) cells. Mitochondrial acetaldehyde dismutation may have some significance in the removal of surplus acetaldehyde and in the formation of acetate in mitochondria during aerobic glucose fermentation. Images FIG. 4 PMID:1938903

  1. 40 CFR 721.10036 - Acetaldehyde based polymer (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Acetaldehyde based polymer (generic... Specific Chemical Substances § 721.10036 Acetaldehyde based polymer (generic). (a) Chemical substance and... based polymer (PMN P-02-406) is subject to reporting under this section for the significant new...

  2. 40 CFR 721.10036 - Acetaldehyde based polymer (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Acetaldehyde based polymer (generic... Specific Chemical Substances § 721.10036 Acetaldehyde based polymer (generic). (a) Chemical substance and... based polymer (PMN P-02-406) is subject to reporting under this section for the significant new...

  3. 40 CFR 721.10036 - Acetaldehyde based polymer (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Acetaldehyde based polymer (generic... Specific Chemical Substances § 721.10036 Acetaldehyde based polymer (generic). (a) Chemical substance and... based polymer (PMN P-02-406) is subject to reporting under this section for the significant new...

  4. 40 CFR 721.10036 - Acetaldehyde based polymer (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Acetaldehyde based polymer (generic... Specific Chemical Substances § 721.10036 Acetaldehyde based polymer (generic). (a) Chemical substance and... based polymer (PMN P-02-406) is subject to reporting under this section for the significant new...

  5. 40 CFR 721.10036 - Acetaldehyde based polymer (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Acetaldehyde based polymer (generic... Specific Chemical Substances § 721.10036 Acetaldehyde based polymer (generic). (a) Chemical substance and... based polymer (PMN P-02-406) is subject to reporting under this section for the significant new...

  6. Reaction of acetaldehyde with 5-aminolevulinic acid via dihydropyrazine derivative.

    PubMed

    Suzuki, Toshinori; Yasuhara, Naoki; Ueda, Takashi; Inukai, Michiyo; Mio, Mitsunobu

    2015-01-01

    When a solution of 5-aminolevulinic acid (ALA) was incubated with acetaldehyde at neutral pH, a product was generated. This product was identified as 3-ethylpyrazine-2,5-dipropanoic acid (ETPY). ETPY was stable at neutral pH. It has been reported that ALA dimerizes at neutral pH generating 3,6-dihydropyrazine-2,5-dipropanoic acid (DHPY), and subsequently resulting in pyrazine-2,5-dipropanoic acid (PY) by autoxidation. In the present reaction, DHPY generated from ALA reacted with acetaldehyde, resulting in ETPY. Preadministration of ALA 3 min prior to acetaldehyde injection supressed the toxicity of acetaldehyde in male mice. These results suggest that ALA may be useful as a scavenger for acetaldehyde.

  7. Mechanism of acetaldehyde-induced deactivation of microbial lipases

    PubMed Central

    2011-01-01

    Background Microbial lipases represent the most important class of biocatalysts used for a wealth of applications in organic synthesis. An often applied reaction is the lipase-catalyzed transesterification of vinyl esters and alcohols resulting in the formation of acetaldehyde which is known to deactivate microbial lipases, presumably by structural changes caused by initial Schiff-base formation at solvent accessible lysine residues. Previous studies showed that several lipases were sensitive toward acetaldehyde deactivation whereas others were insensitive; however, a general explanation of the acetaldehyde-induced inactivation mechanism is missing. Results Based on five microbial lipases from Candida rugosa, Rhizopus oryzae, Pseudomonas fluorescens and Bacillus subtilis we demonstrate that the protonation state of lysine ε-amino groups is decisive for their sensitivity toward acetaldehyde. Analysis of the diverse modification products of Bacillus subtilis lipases in the presence of acetaldehyde revealed several stable products such as α,β-unsaturated polyenals, which result from base and/or amino acid catalyzed aldol condensation of acetaldehyde. Our studies indicate that these products induce the formation of stable Michael-adducts at solvent-accessible amino acids and thus lead to enzyme deactivation. Further, our results indicate Schiff-base formation with acetaldehyde to be involved in crosslinking of lipase molecules. Conclusions Differences in stability observed with various commercially available microbial lipases most probably result from different purification procedures carried out by the respective manufacturers. We observed that the pH of the buffer used prior to lyophilization of the enzyme sample is of utmost importance. The mechanism of acetaldehyde-induced deactivation of microbial lipases involves the generation of α,β-unsaturated polyenals from acetaldehyde which subsequently form stable Michael-adducts with the enzymes. Lyophilization of

  8. The combined oxidation of methanol and ethanol on silver catalysts

    SciTech Connect

    Kurina, L.N.; Gryaznov, V.M.; Gul yanova, S.G.; Plakidkin, A.A.; Vedernikov, V.I.

    1985-10-01

    The authors study the oxidation of methanol, ethanol, and mixtures of these alcohols on industrial silver-pumice and silver membrane catalysts as well as the adsorption of these alcohols on silver. The oxidation of the alcohol mixture on the industrial silver-pumice catalyst gives higher yields of both formaldehyde and acetaldehyde than in the oxidation of the alcohols taken individually. It is also shown that an increase in the rates of formaldehyde formation in the combined oxidation of methanol and ethanol was observed on the silver membrane catalyst.

  9. New insights in understanding plasma-catalysis reaction pathways: study of the catalytic ozonation of an acetaldehyde saturated Ag/TiO2/SiO2 catalyst

    NASA Astrophysics Data System (ADS)

    Sauce, Sonia; Vega-González, Arlette; Jia, Zixian; Touchard, Sylvain; Hassouni, Khaled; Kanaev, Andrei; Duten, Xavier

    2015-07-01

    This paper is a preliminary study intended to straighten out the role of reactive oxygen species in the activation mechanisms occurring in a plasma driven catalysis process for acetaldehyde decomposition. For this purpose, the interaction between the surface, the pollutant and one of the main oxidative species generated by non-thermal plasma, namely ozone, was studied. Acetaldehyde catalytic ozonation over a nanostructured Ag/TiO2/SiO2 catalyst is carried out at room temperature and atmospheric pressure, and followed by diffuse reflectance infrared fourier transform spectroscopy (DRIFTS). For this, the catalyst is firstly saturated with acetaldehyde. At the end of the saturation, acetaldehyde and crotonaldehyde, its condensation product, are identified as the major adsorbed species. In a second step, the surface ozonation is carried out and three additional intermediates are identified, namely, acetone, formic acid and acetic acid. Gaseous CO, CO2, methyl formate and methyl acetate are detected at the DRIFTS outlet, evidencing the partial mineralization of the adsorbed species. A global reaction scheme is proposed for explaining the formation of those adsorbed intermediates and gaseous products. This proposed heterogeneous ozone induced chemistry has to be taken into account when associating non-thermal plasma in air to a catalyst. Contribution to the topical issue "The 14th International Symposium on High Pressure Low Temperature Plasma Chemistry (HAKONE XIV)", edited by Nicolas Gherardi, Ronny Brandenburg and Lars Stollenwark

  10. 21 CFR 173.210 - Acetone.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Acetone. 173.210 Section 173.210 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN... established for acetone in spice oleoresins when present therein as a residue from the extraction of spice....

  11. 21 CFR 173.210 - Acetone.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Acetone. 173.210 Section 173.210 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN... established for acetone in spice oleoresins when present therein as a residue from the extraction of spice....

  12. Piecing together the puzzle of acetaldehyde as a neuroactive agent.

    PubMed

    Correa, Mercè; Salamone, John D; Segovia, Kristen N; Pardo, Marta; Longoni, Rosanna; Spina, Liliana; Peana, Alessandra T; Vinci, Stefania; Acquas, Elio

    2012-01-01

    Mainly known for its more famous parent compound, ethanol, acetaldehyde was first studied in the 1940s, but then research interest in this compound waned. However, in the last two decades, research on acetaldehyde has seen a revitalized and uninterrupted interest. Acetaldehyde, per se, and as a product of ethanol metabolism, is responsible for many pharmacological effects which are not clearly distinguishable from those of its parent compound, ethanol. Consequently, the most recent advances in acetaldehyde's psychopharmacology have been inspired by the experimental approach to test the hypothesis that some of the effects of ethanol are mediated by acetaldehyde and, in this regard, the characterization of metabolic pathways for ethanol and the localization within discrete brain regions of these effects have revitalized the interest on the role of acetaldehyde in ethanol's central effects. Here we present and discuss a wealth of experimental evidence that converges to suggest that acetaldehyde is an intrinsically active compound, is metabolically generated in the brain and, finally, mediates many of the psychopharmacological properties of ethanol.

  13. A self-powered acetaldehyde sensor based on biofuel cell.

    PubMed

    Zhang, Lingling; Zhou, Ming; Dong, Shaojun

    2012-12-04

    Acetaldehyde is recognized as a type of organic environmental pollutant all over the world, which makes the sensitive, rapid, simple and low-cost detection of acetaldehyde urgent and significant. Inspired by the biological principle of feedback modulation, we have developed a novel and effective self-powered device for aqueous acetaldehyde detection. In this self-powered device, an ethanol/air enzymatic biofuel cell (BFC) served as the core component, which showed the maximum power output density of 28.5 μW cm(-2) at 0.34 V and the open circuit potential (V(oc)) of 0.64 V. The product of ethanol oxidation, acetaldehyde, would counteract the electrocatalysis at the bioanode and further decrease the power output of the BFC. Based on such principles, the fabricated acetaldehyde sensor exhibited excellent selectivity with wide linear range (5-200 μM) and low detection limit (1 μM), which conforms to the criteria provided by the World Health Organisation (WHO). In addition, the sensor fabrication is simple, fast, inexpensive, and user-friendly, and the detection process is convenient, efficient, and time-saving, requiring no complicated equipment. These make such self-powered acetaldehyde sensors feasible and practical for detecting aqueous acetaldehyde, particularly in the field of quality control and monitoring aimed at water resource protection.

  14. Xylitol inhibits carcinogenic acetaldehyde production by Candida species.

    PubMed

    Uittamo, Johanna; Nieminen, Mikko T; Kaihovaara, Pertti; Bowyer, Paul; Salaspuro, Mikko; Rautemaa, Riina

    2011-10-15

    Acetaldehyde is a highly toxic and mutagenic product of alcohol fermentation and metabolism which has been classified as a Class I carcinogen for humans by the International Agency for Research on Cancer of the World Health Organisation (WHO). Many Candida species representing oral microbiota have been shown to be capable of marked acetaldehyde production. The aim of our study was to examine the effects of various sugar alcohols and sugars on microbial acetaldehyde production. The study hypothesis was that xylitol could reduce the amount of acetaldehyde produced by Candida. Laboratory and clinical isolates of seven Candida species were selected for the study. The isolates were incubated in 12 mM ethanol and 110 mM glucose, fructose or xylitol at 37°C for 30 min and the formed acetaldehyde was measured by gas chromatography. Xylitol significantly (p < 0.0001) reduced the amount of acetaldehyde produced from ethanol by 84%. In the absence of xylitol, the mean acetaldehyde production in ethanol incubation was 220.5 μM and in ethanol-xylitol incubation 32.8 μM. This was found to be mediated by inhibition of the alcohol dehydrogenase enzyme activity. Coincubation with glucose reduced the amount of produced acetaldehyde by 23% and coincubation with fructose by 29%. At concentrations that are representative of those found in the oral cavity during the intake of proprietary xylitol products, xylitol was found to reduce the production of carcinogenic acetaldehyde from ethanol by Candida below the mutagenic level of 40-100 μM.

  15. Mutagenic and cytotoxic activities of Limonium globuliferum methanol extracts.

    PubMed

    Eren, Yasin

    2016-10-01

    Unmonitored use of plant extractions alone or in combination with drugs may cause important health problems and toxic effects. Limonium (Plumbaginaceae) plants are known as antibacterial, anticancer and antivirus agent. But it is possible that this genus may have toxic effects. This study evaluated the mutagenic and cytotoxic effects of Limonium globuliferum (Boiss. et Heldr.) O. Kuntze (Plumbaginaceae) acetone/methanol (2:1), and methanol extracts of root, stem, and leaf. Different parts of this species were used in order to compare the mutagenic and cytotoxic effects of these parts. Ames test was carried out with S. typhimurium TA98, and TA100 strains. Strains were incubated at 37 °C for 72 h. MDBK cell line was used in MTT test. 10,000, 1000, 100, 10, 1 and 0.1 µg/plate concentrations of plant extracts were used in Ames test. 50, 25, 12.5, 6.25 and 3.125 µg/ml concentrations of root, stem and leaf acetone/methanol (2:1) and methanol extracts were used in MTT test. Ames test results indicated that only methanol leaf extract (10,000 µg/plate) had mutagenic activity. L. globuliferum root methanol extracts (3.125 and 6.25 µg/ml) increased the proliferation rates. Root acetone/methanol (2:1) extracts were found highly cytotoxic in all treatments. The results indicated that leaf extracts had lower cytotoxic effects than root and stem extracts. High concentrations of L. globuliferum stem and leaf methanol extracts showed cytotoxic activity in all treatment periods while low concentrations of the stem methanol extracts increased the proliferation rates.

  16. 40 CFR 80.56 - Measurement methods for formaldehyde and acetaldehyde.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... and acetaldehyde. 80.56 Section 80.56 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Measurement methods for formaldehyde and acetaldehyde. (a) Formaldehyde and acetaldehyde will be measured by... acetaldehyde are used to determine the response, repeatability, and limit of quantitation of the HPLC...

  17. Multiple alcohol dehydrogenases but no functional acetaldehyde dehydrogenase causing excessive acetaldehyde production from ethanol by oral streptococci.

    PubMed

    Pavlova, Sylvia I; Jin, Ling; Gasparovich, Stephen R; Tao, Lin

    2013-07-01

    Ethanol consumption and poor oral hygiene are risk factors for oral and oesophageal cancers. Although oral streptococci have been found to produce excessive acetaldehyde from ethanol, little is known about the mechanism by which this carcinogen is produced. By screening 52 strains of diverse oral streptococcal species, we identified Streptococcus gordonii V2016 that produced the most acetaldehyde from ethanol. We then constructed gene deletion mutants in this strain and analysed them for alcohol and acetaldehyde dehydrogenases by zymograms. The results showed that S. gordonii V2016 expressed three primary alcohol dehydrogenases, AdhA, AdhB and AdhE, which all oxidize ethanol to acetaldehyde, but their preferred substrates were 1-propanol, 1-butanol and ethanol, respectively. Two additional dehydrogenases, S-AdhA and TdhA, were identified with specificities to the secondary alcohol 2-propanol and threonine, respectively, but not to ethanol. S. gordonii V2016 did not show a detectable acetaldehyde dehydrogenase even though its adhE gene encodes a putative bifunctional acetaldehyde/alcohol dehydrogenase. Mutants with adhE deletion showed greater tolerance to ethanol in comparison with the wild-type and mutant with adhA or adhB deletion, indicating that AdhE is the major alcohol dehydrogenase in S. gordonii. Analysis of 19 additional strains of S. gordonii, S. mitis, S. oralis, S. salivarius and S. sanguinis showed expressions of up to three alcohol dehydrogenases, but none showed detectable acetaldehyde dehydrogenase, except one strain that showed a novel ALDH. Therefore, expression of multiple alcohol dehydrogenases but no functional acetaldehyde dehydrogenase may contribute to excessive production of acetaldehyde from ethanol by certain oral streptococci.

  18. Acetaldehyde-induced cytotoxicity involves induction of spermine oxidase at the transcriptional level.

    PubMed

    Uemura, Takeshi; Tanaka, Yuka; Higashi, Kyohei; Miyamori, Daisuke; Takasaka, Tomokazu; Nagano, Tatsuo; Toida, Toshihiko; Yoshimoto, Kanji; Igarashi, Kazuei; Ikegaya, Hiroshi

    2013-08-09

    Ethanol consumption causes serious liver injury including cirrhosis and hepatocellular carcinoma. Ethanol is metabolized mainly in the liver to acetic acid through acetaldehyde. We investigated the effect of ethanol and acetaldehyde on polyamine metabolism since polyamines are essential factors for normal cellular functions. We found that acetaldehyde induced spermine oxidase (SMO) at the transcriptional level in HepG2 cells. The levels and activities of ornithine decarboxylase (ODC) and spermidine/spermine acetyltransferase (SSAT) were not affected by acetaldehyde. Spermidine content was increased and spermine content was decreased by acetaldehyde treatment. Knockdown of SMO expression using siRNA reduced acetaldehyde toxicity. Acetaldehyde exposure increased free acrolein levels. An increase of acrolein by acetaldehyde was SMO dependent. Our results indicate that cytotoxicity of acetaldehyde involves, at least in part, oxidation of spermine to spermidine by SMO, which is induced by acetaldehyde.

  19. Two-stage bile preparation with acetone for recovery of fluorescent aromatic compounds (FACs).

    PubMed

    Karami, Ali; Syed, Mohd A; Christianus, Annie; Willett, Kristine L; Mazzeo, Jeffrey R; Courtenay, Simon C

    2012-07-15

    In this study we sought to optimize recovery of fluorescent aromatic compounds (FACs) from the bile of African catfish (Clarias gariepinus) injected with 10mg/kg benzo[a]pyrene (BaP). Fractions of pooled bile were hydrolyzed, combined with ten volumes of methanol, ethanol, acetonitrile, or acetone, centrifuged and supernatants were analyzed by high-performance liquid chromatography with fluorescent detection (HPLC/FL). As well, to test whether FACs were being lost in solids from the centrifugation, pellets were resuspended, hydrolyzed and mixed with six volumes of the organic solvent that produced best FAC recovery from the supernatant, and subjected to HPLC/FL. Highest FAC concentrations were obtained with 2000μl and 1250μl acetone for supernatants and resuspended pellets respectively. FACs concentrations were negatively correlated with biliary protein content but were unaffected by addition of bovine serum albumin (BSA) followed by no incubation indicating that the presence of proteins in the biliary mixture does not simply interfere with detection of FACs. In another experiment, efficiency of acetone addition was compared to two different liquid-liquid extractions (L-LEs). Acetone additions provided significantly higher biliary FACs than the L-LE methods. The new two-stage bile preparation with acetone is an efficient, inexpensive and easily performed method.

  20. Covalent binding of acetone to aminophospholipids in vitro and in vivo.

    PubMed

    Kuksis, Arnis; Ravandi, Amir; Schneider, Michael

    2005-06-01

    We have determined the ions characteristic of acetone adducts of reference aminophospholipids and have used them as markers for identification of acetone adducts of aminophospholipids in commercial lecithin, acetone extracts of tissue lipids, and in plasma and red blood cells of diabetic subjects. The acetonation products were determined by normal-phase high-performance liquid chromatography (HPLC) with on-line electrospray-mass spectrometry, and electrospray/collision-induced dissociation in the negative ion mode. The major acetone complexes of PtdEtn and PtdSer were identified as the diacetone derivatives [PtdEtn+116-H2O]- and [PtdSer+116-H2O]-, respectively, although ions corresponding to monoacetone [PtdEtn+58-H2O]- and doubly dehydrated diacetone adducts [PtdSer+116-2 x 18]- were also observed. Upon increase of the capillary exit voltage (CapEx) from -160 to -300 V, new ions appeared with the original retention time but with 58 masses (one acetone molecule) lower than the mass of the parent compounds, along with fragment ions corresponding to lysoGPE+40 and free fatty acids. Scanning of chloroform/methanol extracts of red blood cell lipids of two of five diabetic subjects examined yielded elevated levels (in relation to nondiabetic subjects) for ions corresponding to the diacetone adducts [M+98]- of the major molecular species of PtdEtn and PtdSer. Because of possible overlap with major molecular species of PtdIns, the identification of the acetonated PtdSer in diabetic blood requires further confirmation.

  1. Centrally formed acetaldehyde mediates ethanol-induced brain PKA activation.

    PubMed

    Tarragon, E; Baliño, P; Aragon, C M G

    2014-09-19

    Centrally formed acetaldehyde has proven to be responsible for several psychopharmacological effects induced by ethanol. In addition, it has been suggested that the cAMP-PKA signaling transduction pathway plays an important role in the modulation of several ethanol-induced behaviors. Therefore, we hypothesized that acetaldehyde might be ultimately responsible for the activation of this intracellular pathway. We used three pharmacological agents that modify acetaldehyde activity (α-lipoic acid, aminotriazole, and d-penicillamine) to study the role of this metabolite on EtOH-induced PKA activation in mice. Our results show that the injection of α-lipoic acid, aminotriazole and d-penicillamine prior to acute EtOH administration effectively blocks the PKA-enhanced response to EtOH in the brain. These results strongly support the hypothesis of a selective release of acetaldehyde-dependent Ca(2+) as the mechanism involved in the neurobehavioral effects elicited by EtOH.

  2. Dissolution, speciation, and reaction of acetaldehyde in cold sulfuric acid

    NASA Astrophysics Data System (ADS)

    Michelsen, Rebecca R.; Ashbourn, Samantha F. M.; Iraci, Laura T.

    2004-12-01

    The uptake of gas-phase acetaldehyde [CH3CHO, ethanal] by aqueous sulfuric acid solutions was studied under upper tropospheric/lower stratospheric (UT/LS) conditions. The solubility of acetaldehyde was found to be low, between 2 × 102 M atm-1 and 1.5 × 105 M atm-1 under the ranges of temperature (211-241 K) and acid composition (39-76 weight percent, wt%, H2SO4) studied. Under most conditions, acetaldehyde showed simple solubility behavior when exposed to sulfuric acid. Under moderately acidic conditions (usually 47 wt% H2SO4), evidence of reaction was observed. Enhancement of uptake at long times was occasionally detected in conjunction with reaction. The source of these behaviors and the effect of acetaldehyde speciation on solubility are discussed. Implications for the uptake of oxygenated organic compounds by tropospheric aerosols are considered.

  3. Eclipsed Acetaldehyde as a Precursor for Producing Vinyl Alcohol

    PubMed Central

    Osman, Osman I.; Alyoubi, Abdulrahman O.; Elroby, Shabaan A. K.; Hilal, Rifaat H.; Aziz, Saadullah G.

    2012-01-01

    The MP2 and DFT/B3LYP methods at 6-311++G(d,p) and aug-cc-pdz basis sets have been used to probe the origin of relative stability preference for eclipsed acetaldehyde over its bisected counterpart. A relative energy stability range of 1.02 to 1.20 kcal/mol, in favor of the eclipsed conformer, was found and discussed. An NBO study at these chemistry levels complemented these findings and assigned the eclipsed acetaldehyde preference mainly to the vicinal antiperiplanar hyperconjugative interactions. The tautomeric interconversion between the more stable eclipsed acetaldehyde and vinyl alcohol has been achieved through a four-membered ring transition state (TS). The obtained barrier heights and relative stabilities of eclipsed acetaldehyde and the two conformers of vinyl alchol at these model chemistries have been estimated and discussed. PMID:23203130

  4. Method for making methanol

    DOEpatents

    Mednick, R. Lawrence; Blum, David B.

    1986-01-01

    Methanol is made in a liquid-phase methanol reactor by entraining a methanol-forming catalyst in an inert liquid and contacting said entrained catalyst with a synthesis gas comprising hydrogen and carbon monoxide.

  5. Method for making methanol

    DOEpatents

    Mednick, R. Lawrence; Blum, David B.

    1987-01-01

    Methanol is made in a liquid-phase methanol reactor by entraining a methanol-forming catalyst in an inert liquid and contacting said entrained catalyst with a synthesis gas comprising hydrogen and carbon monoxide.

  6. Atmospheric Vinyl Alcohol to Acetaldehyde Tautomerization Revisited.

    PubMed

    Peeters, Jozef; Nguyen, Vinh Son; Müller, Jean-François

    2015-10-15

    The atmospheric oxidation of vinyl alcohol (VA) produced by photoisomerization of acetaldehyde (AA) is thought to be a source of formic acid (FA). Nevertheless, a recent theoretical study predicted a high rate coefficient k1(298 K) of ≈10(-14) cm(3) molecule(-1) s(-1) for the FA-catalyzed tautomerization reaction 1 of VA back into AA, which suggests that FA buffers its own production from VA. However, the unusually high frequency factor implied by that study prompted us to reinvestigate reaction 1 . On the basis of a high-level ab initio potential energy profile, we first established that transition state theory is applicable, and derived a k1(298 K) of only ≈2 × 10(-20) cm(3) molecule(-1) s(-1), concluding that the reaction is negligible. Instead, we propose and rationalize another important VA sink: its uptake by aqueous aerosol and cloud droplets followed by fast liquid-phase tautomerization to AA; global modeling puts the average lifetime by this sink at a few hours, similar to oxidation by OH.

  7. Origin of acetaldehyde during milk fermentation using (13)C-labeled precursors.

    PubMed

    Ott, A; Germond, J E; Chaintreau, A

    2000-05-01

    Acetaldehyde formation by Lactobacillus delbrueckii subsp. bulgaricus and Streptococcus thermophilus during fermentation of cow's milk was investigated using (13)C-labeled glucose, L-threonine, and pyruvate with a recent static-and-trapped-headspace technique that does not require derivatization of acetaldehyde prior to gas chromatography-mass spectrometry. Over 90% and almost 100% of acetaldehyde originated from glucose during fermentation by L. delbrueckii subsp. bulgaricus and S. thermophilus, respectively, taking into account both singly and doubly labeled acetaldehyde. As both microorganisms showed threonine aldolase activity and formed labeled acetaldehyde from (13)C-labeled threonine during the fermentation of milk, this amino acid should also contribute to the acetaldehyde produced.

  8. Overview of VOC emissions and chemistry from PTR-TOF-MS measurements during the SusKat-ABC campaign: high acetaldehyde, isoprene and isocyanic acid in wintertime air of the Kathmandu Valley

    NASA Astrophysics Data System (ADS)

    Sarkar, Chinmoy; Sinha, Vinayak; Kumar, Vinod; Rupakheti, Maheswar; Panday, Arnico; Mahata, Khadak S.; Rupakheti, Dipesh; Kathayat, Bhogendra; Lawrence, Mark G.

    2016-03-01

    The Kathmandu Valley in Nepal suffers from severe wintertime air pollution. Volatile organic compounds (VOCs) are key constituents of air pollution, though their specific role in the valley is poorly understood due to insufficient data. During the SusKat-ABC (Sustainable Atmosphere for the Kathmandu Valley-Atmospheric Brown Clouds) field campaign conducted in Nepal in the winter of 2012-2013, a comprehensive study was carried out to characterise the chemical composition of ambient Kathmandu air, including the determination of speciated VOCs, by deploying a proton transfer reaction time-of-flight mass spectrometer (PTR-TOF-MS) - the first such deployment in South Asia. In the study, 71 ion peaks (for which measured ambient concentrations exceeded the 2σ detection limit) were detected in the PTR-TOF-MS mass scan data, highlighting the chemical complexity of ambient air in the valley. Of the 71 species, 37 were found to have campaign average concentrations greater than 200 ppt and were identified based on their spectral characteristics, ambient diel profiles and correlation with specific emission tracers as a result of the high mass resolution (m / Δm > 4200) and temporal resolution (1 min) of the PTR-TOF-MS. The concentration ranking in the average VOC mixing ratios during our wintertime deployment was acetaldehyde (8.8 ppb) > methanol (7.4 ppb) > acetone + propanal (4.2 ppb) > benzene (2.7 ppb) > toluene (1.5 ppb) > isoprene (1.1 ppb) > acetonitrile (1.1 ppb) > C8-aromatics ( ˜ 1 ppb) > furan ( ˜ 0.5 ppb) > C9-aromatics (0.4 ppb). Distinct diel profiles were observed for the nominal isobaric compounds isoprene (m / z = 69.070) and furan (m / z = 69.033). Comparison with wintertime measurements from several locations elsewhere in the world showed mixing ratios of acetaldehyde ( ˜ 9 ppb), acetonitrile ( ˜ 1 ppb) and isoprene ( ˜ 1 ppb) to be among the highest reported to date. Two "new" ambient compounds, namely formamide (m / z = 46.029) and acetamide (m / z

  9. Overview of VOC emissions and chemistry from PTR-TOF-MS measurements during the SusKat-ABC campaign: high acetaldehyde, isoprene and isocyanic acid in wintertime air of the Kathmandu Valley

    NASA Astrophysics Data System (ADS)

    Sarkar, C.; Sinha, V.; Kumar, V.; Rupakheti, M.; Panday, A.; Mahata, K. S.; Rupakheti, D.; Kathayat, B.; Lawrence, M. G.

    2015-09-01

    The Kathmandu Valley in Nepal suffers from severe wintertime air pollution. Volatile organic compounds (VOCs) are key constituents of air pollution, though their specific role in the Valley is poorly understood due to insufficient data. During the SusKat-ABC (Sustainable Atmosphere for the Kathmandu Valley-Atmospheric Brown Clouds) field campaign conducted in Nepal in the winter of 2012-2013, a comprehensive study was carried out to characterize the chemical composition of ambient Kathmandu air, including the determination of speciated VOCs by deploying a Proton Transfer Reaction Time of Flight Mass Spectrometer (PTR-TOF-MS)-the first such deployment in South Asia. 71 ion peaks (for which measured ambient concentrations exceeded the 2 σ detection limit) were detected in the PTR-TOF-MS mass scan data, highlighting the chemical complexity of ambient air in the Valley. Of the 71 species, 37 were found to have campaign average concentrations greater than 200 ppt and were identified based on their spectral characteristics, ambient diel profiles and correlation with specific emission tracers as a result of the high mass resolution (m/Δm > 4200) and temporal resolution (1 min) of the PTR-TOF-MS. The highest average VOC mixing ratios during the measurement period were (in rank order): acetaldehyde (8.8 ppb), methanol (7.4 ppb), acetone (4.2 ppb), benzene (2.7 ppb), toluene (1.5 ppb), isoprene (1.1 ppb), acetonitrile (1.1 ppb), C8-aromatics (~ 1 ppb), furan (~ 0.5 ppb), and C9-aromatics (0.4 ppb). Distinct diel profiles were observed for the nominal isobaric compounds isoprene (m/z = 69.070) and furan (m/z = 69.033). Comparison with wintertime measurements from several locations elsewhere in the world showed mixing ratios of acetaldehyde (~ 9 ppb), acetonitrile (~ 1 ppb) and isoprene (~ 1 ppb) to be among the highest reported till date. Two "new" ambient compounds namely, formamide (m/z = 46.029) and acetamide (m/z = 60.051), which can photochemically produce isocyanic

  10. Measuring δ(13)C values of atmospheric acetaldehyde via sodium bisulfite adsorption and cysteamine derivatisation.

    PubMed

    Guo, Songjun; Chen, Mei; Wen, Sheng; Sheng, Guoying; Fu, Jiamo

    2012-01-01

    δ(13)C values of gaseous acetaldehyde were measured by gas chromatograph-combustion-isotope ratio mass spectrometer (GC-C-IRMS) via sodium bisulfite (NaHSO(3)) adsorption and cysteamine derivatisation. Gaseous acetaldehyde was collected via NaHSO(3)-coated Sep-Pak(®) silica gel cartridge, then derivatised with cysteamine, and then the δ(13)C value of the acetaldehyde-cysteamine derivative was measured by GC-C-IRMS. Using two acetaldehydes with different δ(13)C values, derivatisation experiments were carried out to cover concentrations between 0.009×10(-3) and 1.96×10(-3) mg·l(-1)) of atmospheric acetaldehyde, and then δ(13)C fractionation was evaluated in the derivatisation of acetaldehyde based on stoichiometric mass balance after measuring the δ(13)C values of acetaldehyde, cysteamine and the acetaldehyde-cysteamine derivative. δ(13)C measurements in the derivertisation process showed good reproducibility (<0.5 ‰) for gaseous acetaldehyde. The differences between predicted and measured δ(13)C values were 0.04-0.31 ‰ for acetaldehyde-cysteamine derivative, indicating that the derivatisation introduces no isotope fractionation for gaseous acetaldehyde, and obtained δ(13)C values of acetaldehyde in ambient air at the two sites were distinct (-34.00 ‰ at an urban site versus-31.00 ‰ at a forest site), implying potential application of the method to study atmospheric acetaldehyde.

  11. Photochemistry of Acetone in Simulated Atmosphere

    NASA Astrophysics Data System (ADS)

    Chakraborty, T.; Ghosh, A. K.; Chattopadhyay, A.

    2013-06-01

    Acetone has been identified to be one of the dominant non-methane organic species present in our atmosphere with an annual budget of ˜40-60; Tg; (10^{12} ;g). It has been proposed that the major fraction of atmospheric acetone (˜65%) is removed via photodissociation channel. Numerous laboratory investigations were devoted in the past to understand how the reactions are evolved in presence of oxygen and water vapour. Our recent study, wherein the photo products are probed using a tandem methodology of quadrupole mass spectrometry and gas-phase infrared spectroscopy reveals that a significant fraction of acetone is converted to formic acid in presence of oxygen when exposed to ultraviolet light of wavelengths available in troposphere. The measurement has been repeated with other linear and cyclic ketones and some of their deuterated analogues. The details of our findings will be presented in the talk.

  12. Acetone transport in poly(ethylene terephthalate)

    NASA Astrophysics Data System (ADS)

    Ouyang, Hao; Chen, Che-Chen

    1997-05-01

    Organic solvents like acetone can penetrate into poly(ethylene terephthalate) (PET). The model of case I (Fickian) and case II (swelling) is employed to study the phenomenon of mass transport. This model is successful in explaining the behavior of mass transport in an amorphous polymer, for example, poly(methyl methacrylate) (PMMA). The characteristic parameters, diffusivity D and velocity v, can be obtained from the analysis of experimental data. The mass transport in PET is different from that in PMMA. It is accompanied by a large-scale structural rearrangement, which leads to induced crystallization of the original amorphous state. This is the so-called "solvent-induced crystallization." Acetone-induced crystallization was confirmed by x-ray diffraction. The differential scanning calorimetry thermograms of acetone-treated PET show that the crystallization peak disappears and the glass transition temperature decreases.

  13. Preliminary toxicological study of ferric acetyl acetonate

    SciTech Connect

    London, J.E.; Smith, D.M.

    1983-01-01

    The calculated acute oral LD/sub 50//sup 30/ (lethal does for 50% of the animals occuring with 30 days after compound administration) values for ferric acetyl acetonate were 584 mg/kg in mice and 995 mg/kg in rats. According to classical guidelines, this compound would be considered slightly toxic in both species. Skin application studies in the rabbit demonstrated the compound to be irritating. The eye irritation study disclosed the compound to be a severe irritant causing permanent damage to the cornea (inflammation and scarring resulting in blindness). The sensitization study in the guinea pig did not show ferric acetyl acetonate to be deleterious in this regard.

  14. Bacterial degradation of acetone in an outdoor model stream

    USGS Publications Warehouse

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

    1993-01-01

    Diurnal variations of the acetone concentration in an outdoor model stream were measured with and without a nitrate supplement to determine if the nitrate supplement would stimulate bacterial degradation of the acetone. Acetone loss coefficients were computed from the diurnal data using a fitting procedure based on a Lagrangian particle model. The coefficients indicated that bacterial degradation of the acetone was occurring in the downstream part of the stream during the nitrate addition. However, the acetone concentrations stabilized at values considerably above the limit of detection for acetone determination, in contrast to laboratory respirometer studies where the acetone concentration decreased rapidly to less than the detection limit, once bacterial acclimation to the acetone had occurred. One possible explanation for the difference in behavior was the limited 6-hour residence time of the acetone in the model stream.

  15. Phototautomerization of Acetaldehyde to Vinyl Alcohol: A Primary Process in UV-Irradiated Acetaldehyde from 295 to 335 nm.

    PubMed

    Clubb, Alexander E; Jordan, Meredith J T; Kable, S H; Osborn, David L

    2012-12-06

    The concentrations of organic acids, key species in the formation of secondary organic aerosols, are underestimated by atmospheric chemistry models by a factor of ∼2. Vinyl alcohol (VA, CH2═CHOH, ethenol) has been suggested as a precursor to formic acid, but sufficient tropospheric sources of VA have not been identified. Here, we show that VA is formed upon irradiation of neat acetaldehyde (CH3CHO) in the actinic ultraviolet region, between 295 and 330 nm. Besides the well-known photochemical products CO and CH4, we infer up to a 15% quantum yield of VA at 20 Torr acetaldehyde pressure and a photolysis wavelength of 330 nm. The experiments confirm a recent model predicting phototautomerization of acetaldehyde to VA and imply that photolysis of small aldehydes and ketones could provide tropospheric sources of enols sufficient to impact organic acid budgets. We also report absolute infrared absorption cross sections of VA.

  16. 21 CFR 173.210 - Acetone.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Acetone. 173.210 Section 173.210 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Solvents, Lubricants, Release Agents and...

  17. 21 CFR 172.802 - Acetone peroxides.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Multipurpose Additives § 172.802... proportions of higher polymers, manufactured by reaction of hydrogen peroxide and acetone. (b) The additive... additive container and any intermediate premix thereof shall bear, in addition to the other...

  18. BIOGENIC SOURCES FOR FORMALDEHYDE AND ACETALDEHYDE DURING SUMMER MONTHS

    EPA Science Inventory

    Photochemical modeling estimated contributions to ambient concentrations of formaldehyde and acetaldehyde from biogenic emissions over the continental United States during January 2001 (Eos Trans. AGU, 83(47), Fall Meet. Suppl., Abstract A52B-0117). Results showed that maximum co...

  19. Malondialdehyde-acetaldehyde adducts decrease bronchial epithelial wound repair.

    PubMed

    Wyatt, Todd A; Kharbanda, Kusum K; Tuma, Dean J; Sisson, Joseph H; Spurzem, John R

    2005-05-01

    Most people who abuse alcohol are cigarette smokers. Previously, we have shown that malondialdehyde, an inflammation product of lipid peroxidation, and acetaldehyde, a component of both ethanol metabolism and cigarette smoke, form protein adducts that stimulate protein kinase C (PKC) activation in bronchial epithelial cells. We have also shown that PKC can regulate bronchial epithelial cell wound repair. We hypothesize that bovine serum albumin adducted with malondialdehyde and acetaldehyde (BSA-MAA) decreases bronchial epithelial cell wound repair via binding to scavenger receptors on bronchial epithelial cells. To test this, confluent monolayers of bovine bronchial epithelial cells were grown in serum-free media prior to wounding the cells. Bronchial epithelial cell wound closure was inhibited in a dose-dependent manner (up to 60%) in the presence of BSA-MAA than in media treated cells (Laboratory of Human Carcinogenesis [LHC]-9-Roswell Park Memorial Institute [RPMI]). The specific scavenger receptor ligand, fucoidan, also stimulated PKC activation and decreased wound repair. Pretreatment with fucoidan blocked malondialdehyde-acetaldehyde binding to bronchial epithelial cells. When bronchial epithelial cells were preincubated with a PKC alpha inhibitor, Gö 6976, the inhibition of wound closure by fucoidan and BSA-MAA was blocked. Western blot demonstrated the presence of several scavenger receptors on bronchial epithelial cell membranes, including SRA, SRBI, SRBII, and CD36. Scavenger receptor-mediated activation of PKC alpha may function to reduce wound healing under conditions of alcohol and cigarette smoke exposure where malondialdehyde-acetaldehyde adducts may be present.

  20. Maximum exposure levels for xylene, formaldehyde and acetaldehyde in cars.

    PubMed

    Schupp, Thomas; Bolt, Hermann M; Hengstler, Jan G

    2005-01-31

    Although millions of individuals are exposed to emissions from articles inside cars, relatively little has been published about possible adverse health effects and about exposure levels that can be considered safe or "acceptable". Xylene, formaldehyde and acetaldehyde represent typical examples of relevant volatile organic substances (VOC) released from articles inside cars. Recently, a concept for derivation of maximum exposure levels for volatile organic substances in cars has been published. In the present study we applied this concept to derive maximum exposure levels for xylene, formaldehyde and acetaldehyde and compared the resulting concentrations to exposure levels usually found inside of cars. We derived Short Term Exposure Levels Inside Automotive Vehicles (STELIA) of 29, 0.125 and 15.3 mg/m(3) for xylene, formaldehyde and acetaldehyde, respectively. These STELIAs should not be exceeded during short-term exposures, for instance when starting a car that had been heated up during parking in the sun. Exposure Levels Inside Automotive Vehicles (ELIA, chronic) for chronic exposure to non-genotoxic substances were 8.8, 0.125 and 0.635 mg/m(3) for systemic as well as 17.6, 0.125 and 1.7 mg/m(3) for local exposure to xylene, formaldehyde and acetaldehyde, respectively. Although, it is known that exposure limits for carcinogenic substances should be treated with caution, encouraged by the well documented threshold mechanisms we nevertheless derived ELIAs for Carcinogenic and Mutagenic Substances (ELIA, cm) resulting in 0.125 and 0.635 mg/m(3) for formaldehyde and acetaldehyde. If these ELIAs are matched against average concentrations of xylene, formaldehyde and acetaldehyde found in cars at 23 degrees C (1.22, 0.048 and 0.042 mg/m(3)), there is no reason for concern. With respect to STELIAs and extrapolated concentrations at 65 degrees C (14.7, 1.47 and 1.68 mg/m(3), for xylene, formaldehyde and acetaldehyde, respectively), however, a reduction of the

  1. Acetone excretion into urine of workers exposed to acetone in acetate fiber plants.

    PubMed

    Satoh, T; Omae, K; Takebayashi, T; Nakashima, H; Higashi, T; Sakurai, H

    1995-01-01

    To develop a proper protocol for biological exposure monitoring of acetone, we evaluated whether exposure to acetone on the previous day affects the biological monitoring value at the end of a work day. One hundred and ten male workers exposed to acetone in three acetate fiber manufacturing plants were monitored using a liquid passive sampler on two consecutive working days after 2 days without exposure. Urine samples were collected at the start of the workshift and the end of the shift on both days for each subject. For ten exposed workers urine samples were collected approximately every 2 h during and after the first working day until the following morning. Acetone concentrations in urine (Cu) at the start of the first working day were 1.3 +/- 2.4 (range: ND-14.1) mg/l in nonexposed workers and 2.4 +/- 5.6 (range: ND-40.3) mg/l in exposed workers. The urinary acetone concentration at the beginning of the second working day indicated that urinary levels of acetone do not decline to background level by the following morning when exposure concentration exceeds 300 ppm. However, linear regression analysis demonstrated that the relationship between environmental exposure level and urine level was similar on the 1st day and the 2nd day. Thus, although urine acetone levels did not return completely to baseline after high exposures, under the present exposure levels the exposure on the previous day did not significantly affect urinary acetone at the end of the workshift of the next day.

  2. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 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...

  3. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 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...

  4. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 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...

  5. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2010 CFR

    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...

  6. 46 CFR 153.1035 - Acetone cyanohydrin or lactonitrile solutions.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 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...

  7. Acetone potentiation of acute acetonitrile toxicity in rats

    SciTech Connect

    Freeman, J.J.; Hayes, E.P.

    1985-01-01

    The purpose of these studies was to investigate the nature and mechanism of a toxicologic interaction between acetonitrile and acetone. Results of oral doe-response studies utilizing 1:1 (w/w) mixture of acetonitrile and acetone, or varying doses of acetonitrile administered together with a constant dose of acetone, indicated that acetone potentiated acute acetonitrile toxicity three- to fourfold in rats. The onset of severe toxicity (manifested by tremors and convulsions) was delayed in the groups dosed with both solvents compared to the groups that received acetonitrile or acetone alone. Blood cyanide (a metabolite of acetonitrile) and serum acetonitrile and acetone concentrations were measured after oral administration of 25% aqueous solutions of acetonitrile, acetone, or acetonitrile plus acetone. Concentrations of cyanide in the blood of rats given acetonitrile plus acetone remained near baseline, in contrast to the high concentrations found in rats dosed with acetonitrile alone. At 34-36 h, high blood cyanide concentrations were found in rats dosed with both of the solvents. This delayed onset of elevation of blood cyanide coincided with the occurrence of clinical signs and with the disappearance of serum acetone. In further pharmacokinetic studies, blood cyanide concentrations were measured after similar dosage regimens of acetone and acetonitrile. Peak cyanide concentrations were found to be significantly greater in rats dosed with both solvents than in rats given only acetonitrile. Administration of either sodium thiosulfate or a second dose of acetone prevented the toxicity associated with exposure to both solvents.

  8. Modification of the acetaldehyde concentration during alcoholic fermentation and effects on fermentation kinetics.

    PubMed

    Roustan, Jean Louis; Sablayrolles, Jean-Marie

    2002-01-01

    We studied the kinetic effects of increasing the residual acetaldehyde concentration during alcoholic fermentation, especially during the stationary phase. We added this compound via pulse or continuous injections. The yeast response depended on the amount of acetaldehyde added: high concentrations inhibited fermentation while low concentrations led to stimulation. When regular small additions were made, up to 100 mM acetaldehyde could be added and this caused a very significant drop in the fermentation duration. We also modulated the acetaldehyde concentration by modifying the alcohol dehydrogenase-catalyzed reaction. Two approaches were tested (i) adding aldehydes (propanal and furfural) that competitively inhibited the reduction of acetaldehyde and (ii) adding electron acceptors that reduced the quantity of NADH available. Several possible mechanisms responsible for (i) the impact of acetaldehyde on fermentation kinetics and (ii) the modulation of the residual acetaldehyde concentration are discussed.

  9. Methanol Uptake by Low Temperature Aqueous Sulfuric Acid Solutions

    NASA Technical Reports Server (NTRS)

    Iraci, L. T.; Essin, A. M.; Golden, D. M.; Hipskind, R. Stephen (Technical Monitor)

    2001-01-01

    The global methanol budget is currently unbalanced, with source terms significantly larger than the sinks terms. To evaluate possible losses of gaseous methanol to sulfate aerosols, the solubility and reactivity of methanol in aqueous sulfuric acid solutions representative of upper tropospheric and lower stratospheric aerosols is under investigation. Methanol will partition into sulfate aerosols according to its Henry's law solubility. Using standard uptake techniques in a Knudsen cell reactor, we have measured the effective Henry's law coefficient, H*, for cold (196 - 220 K) solutions ranging between 45 and 70 wt % H2SO4. We have found that methanol solubility ranges from approx. 10(exp 5) - 10(exp 7) M/atm for UT/LS conditions. Solubility increases with decreasing temperature and with increasing sulfuric acid content. Although methanol is slightly more soluble than are acetone and formaldehyde, current data indicate that uptake by clean aqueous sulfuric acid particles will not be a significant sink for methanol in the UT/LS. These solubility measurements include uptake due to physical solvation and any rapid equilibria which are established in solution. Reaction between primary alcohols and sulfuric acid does occur, leading to the production of alkyl sulfates. Literature values for the rate of this reaction suggest that formation of CH3OSO3H is not significant over our experimental time scale for solutions below 80 wt % H2SO4. To confirm this directly, results obtained using a complementary equilibrium measurement technique will also be presented.

  10. Vapour-phase gold-surface-mediated coupling of aldehydes with methanol.

    PubMed

    Xu, Bingjun; Liu, Xiaoying; Haubrich, Jan; Friend, Cynthia M

    2010-01-01

    Selective coupling of oxygenates is critical to many synthetic processes, including those necessary for the development of alternative fuels. We report a general process for selective coupling of aldehydes and methanol as a route to ester synthesis. All steps are mediated by oxygen-covered metallic gold nanoparticles on Au(111). Remarkably, cross-coupling of methanol with formaldehyde, acetaldehyde, benzaldehyde and benzeneacetaldehyde to methyl esters is promoted by oxygen-covered Au(111) below room temperature with high selectivity. The high selectivity is attributed to the ease of nucleophilic attack of the aldehydes by the methoxy intermediate-formed from methanol on the surface-which yields the methyl esters. The competing combustion occurs via attack of both methanol and the aldehydes by oxygen. The mechanistic model constructed in this study provides insight into factors that control selectivity and clearly elucidates the crucial role of Au nanoparticles as active species in the catalytic oxidation of alcohols, even in solution.

  11. Relationship between acetaldehyde concentration in mouth air and tongue coating volume

    PubMed Central

    YOKOI, Aya; MARUYAMA, Takayuki; YAMANAKA, Reiko; EKUNI, Daisuke; TOMOFUJI, Takaaki; KASHIWAZAKI, Haruhiko; YAMAZAKI, Yutaka; MORITA, Manabu

    2015-01-01

    Objective Acetaldehyde is the first metabolite of ethanol and is produced in the epithelium by mucosal ALDH, while higher levels are derived from microbial oxidation of ethanol by oral microflora such as Candida species. However, it is uncertain whether acetaldehyde concentration in human breath is related to oral condition or local production of acetaldehyde by oral microflora. The aim of this pilot study was to investigate the relationship between physiological acetaldehyde concentration and oral condition in healthy volunteers. Material and Methods Sixty-five volunteers (51 males and 14 females, aged from 20 to 87 years old) participated in the present study. Acetaldehyde concentration in mouth air was measured using a portable monitor. Oral examination, detection of oral Candida species and assessment of alcohol sensitivity were performed. Results Acetaldehyde concentration [median (25%, 75%)] in mouth air was 170.7 (73.5, 306.3) ppb. Acetaldehyde concentration in participants with a tongue coating status score of 3 was significantly higher than in those with a score of 1 (p<0.017). After removing tongue coating, acetaldehyde concentration decreased significantly (p<0.05). Acetaldehyde concentration was not correlated with other clinical parameters, presence of Candida species, smoking status or alcohol sensitivity. Conclusion Physiological acetaldehyde concentration in mouth air was associated with tongue coating volume. PMID:25760268

  12. Formaldehyde and acetaldehyde emissions from residential wood combustion in Portugal

    NASA Astrophysics Data System (ADS)

    Cerqueira, Mário; Gomes, Luís; Tarelho, Luís; Pio, Casimiro

    2013-06-01

    A series of experiments were conducted to characterize formaldehyde and acetaldehyde emissions from residential combustion of common wood species growing in Portugal. Five types of wood were investigated: maritime pine (Pinus pinaster), eucalyptus (Eucalyptus globulus), cork oak (Quercus suber), holm oak (Quercus rotundifolia) and pyrenean oak (Quercus pyrenaica). Laboratory experiments were performed with a typical wood stove used for domestic heating in Portugal and operating under realistic home conditions. Aldehydes were sampled from diluted combustion flue gas using silica cartridges coated with 2,4-dinitrophenylhydrazine and analyzed by high performance liquid chromatography with diode array detection. The average formaldehyde to acetaldehyde concentration ratio (molar basis) in the stove flue gas was in the range of 2.1-2.9. Among the tested wood types, pyrenean oak produced the highest emissions for both formaldehyde and acetaldehyde: 1772 ± 649 and 1110 ± 454 mg kg-1 biomass burned (dry basis), respectively. By contrast, maritime pine produced the lowest emissions: 653 ± 151 and 371 ± 162 mg kg-1 biomass (dry basis) burned, respectively. Aldehydes were sampled separately during distinct periods of the holm oak wood combustion cycles. Significant variations in the flue gas concentrations were found, with higher values measured during the devolatilization stage than in the flaming and smoldering stages.

  13. The Methanol Economy Project

    SciTech Connect

    Olah, George; Prakash, G. K.

    2014-02-01

    The Methanol Economy Project is based on the concept of replacing fossil fuels with methanol generated either from renewable resources or abundant natural (shale) gas. The full methanol cycle was investigated in this project, from production of methanol through bromination of methane, bireforming of methane to syngas, CO2 capture using supported amines, co-electrolysis of CO2 and water to formate and syngas, decomposition of formate to CO2 and H2, and use of formic acid in a direct formic acid fuel cell. Each of these projects achieved milestones and provided new insights into their respective fields.

  14. [Gas chromatographic analysis of methyl methacrylate and methanol in its esterification mixture].

    PubMed

    Wu, C; Zeng, C

    1997-09-01

    A fast, simple and accurate gas chromatographic method is established for determining the content of methyl methacrylate (MMA) and methanol in the esterification mixture of methacrylic acid with methanol in the presence of sulfuric acid. In the measurement, polyethylene glycol-20M/sodium hydroxide was adopted as liquid phase, coated on the acid-washed 201 pink support. n-Heptane was used as the internal standard and the correction factors of MMA and methanol obtained were 1.65 and 4.10, respectively. It is significant for this method to be used to control MMA production by acetone cyanohydrin method and to improve the production technology.

  15. The exchange of acetaldehyde between plants and the atmosphere: Stable carbon isotope and flux measurements

    NASA Astrophysics Data System (ADS)

    Jardine, Kolby Jeremiah

    The exchange of acetaldehyde between plant canopies and the atmosphere may significantly influence regional atmospheric chemistry and plant metabolism. While plants are known to both produce and consume acetaldehyde, the exchange of this compound with forested ecosystems is complicated by physical, biological, and chemical processes that range from being poorly understood to completely unknown. This precludes a quantitative understanding of acetaldehyde exchange rates between the atmosphere and the biosphere. In this study, the processes controlling the exchange of acetaldehyde with plant canopies was investigated using concentration, flux, and natural abundance 13C measurements of gas phase acetaldehyde from individual plants, soils, and entire ecosystems. Although previously only considered important in anoxic tissues, it was discovered that acetaldehyde is produced and consumed in leaves through ethanolic fermentation coupled to the pyruvate dehydrogenase bypass system under normal aerobic conditions. These coupled pathways determine the acetaldehyde compensation point, a major factor controlling its exchange with the atmosphere. Carbon isotope analysis suggests a new pathway for acetaldehyde production from plants under stress involving the peroxidation of membrane fatty acids. This pathway may be a major source of acetaldehyde to the atmosphere from plants under biotic and abiotic stresses. Plant stomata were found to be the dominant pathway for the exchange of acetaldehyde with the atmosphere with stomatal conductance influencing both emission and uptake fluxes. In addition, increasing temperature and solar radiation was found to increase the compensation point by increasing the rates of acetaldehyde production relative to consumption. Under ambient conditions, bare soil was neutral to the exchange of acetaldehyde while senescing and decaying leaves were found to be strong source of acetaldehyde to the atmosphere due to increased decomposition processes and

  16. Antimutagenicity of an acetone extract of yogurt.

    PubMed

    Nadathur, S R; Gould, S J; Bakalinsky, A T

    1995-04-01

    Reconstituted non-fat dry milk powder, fermented by a mixture of Streptococcus thermophilus CH3 and Lactobacillus bulgaricus 191R to produce yogurt, was freeze-dried and extracted in acetone. After evaporation of the acetone, the extract was dissolved in dimethyl sulfoxide (DMSO) and tested for antimutagenicity. In the Ames test, significant dose-dependent activity was observed against N-methyl-N'-nitro-N-nitrosoguanidine (MNNG), 4-nitro-quinoline-N-oxide (4NQO), 3,2'-dimethyl-4-aminobiphenyl (DMAB), 9,10-dimethyl-1,2-benz[a]anthracene (DMBA), and 3-amino-1-methyl-5H-pyrido[4,3-b]indole acetate (Trp-P-2). Weak activity was observed against 1,2,7,8-diepoxyoctane (DEO), and no activity was observed against methyl methanesulfonate (MMS), ethyl methanesulfonate (EMS), or aflatoxin B1 (AFB1). In a related assay (Saccharomyces cerevisiae D7), significant antimutagenic activity was detected against MNNG and 4NQO. Activity against the experimental colon carcinogens MNNG and DMAB was examined further, as assayed in the Ames test (Salmonella typhimurium TA100). Compounds responsible for both activities were less soluble in aqueous solutions than in DMSO. Adjustment of yogurt pH to 3, 7.6, or 13 prior to freeze-drying and acetone extraction did not significantly alter the amount of anti-MNNG activity recovered. In contrast, extractability of anti-DMAB activity was significantly greater at acidic pH. Conjugated linoleic acid, a known dairy anticarcinogen, failed to inhibit mutagenesis caused by either mutagen, suggesting that other yogurt-derived compound(s) are responsible. Unfermented milk was treated with lactic acid, yogurt bacteria without subsequent growth, or both, to determine if formation of antimutagenic activity required bacterial growth. Extracts of the milk treatments exhibited the same weak antimutagenicity observed in unfermented milk, approximately 2.5-fold less than in the yogurt extracts, suggesting that antimutagenic activity is associated with bacterial

  17. Exogenous acetaldehyde as a tool for modulating wine color and astringency during fermentation.

    PubMed

    Sheridan, Marlena K; Elias, Ryan J

    2015-06-15

    Wine tannins undergo modifications during fermentation and storage that can decrease their perceived astringency and increase color stability. Acetaldehyde acts as a bridging compound to form modified tannins and polymeric pigments that are less likely to form tannin-protein complexes than unmodified tannins. Red wines are often treated with oxygen in order to yield acetaldehyde, however this approach can lead to unintended consequences due to the generation of reactive oxygen species. The present study employs exogenous acetaldehyde at relatively low and high treatment concentrations during fermentation to encourage tannin modification without promoting potentially deleterious oxidation reactions. The high acetaldehyde treatment significantly increased polymeric pigments in the wine without increasing concentrations of free and sulfite-bound acetaldehyde. Protein-tannin precipitation was also significantly decreased with the addition of exogenous acetaldehyde. These results indicate a possible treatment of wines early in their production to increase color stability and lower astringency of finished wines.

  18. Involvement of dopamine D2 receptors in addictive-like behaviour for acetaldehyde.

    PubMed

    Brancato, Anna; Plescia, Fulvio; Marino, Rosa Anna Maria; Maniaci, Giuseppe; Navarra, Michele; Cannizzaro, Carla

    2014-01-01

    Acetaldehyde, the first metabolite of ethanol, is active in the central nervous system, where it exerts motivational properties. Acetaldehyde is able to induce drinking behaviour in operant-conflict paradigms that resemble the core features of the addictive phenotype: drug-intake acquisition and maintenance, drug-seeking, relapse and drug use despite negative consequences. Since acetaldehyde directly stimulates dopamine neuronal firing in the mesolimbic system, the aim of this study was the investigation of dopamine D2-receptors' role in the onset of the operant drinking behaviour for acetaldehyde in different functional stages, by the administration of two different D2-receptor agonists, quinpirole and ropinirole. Our results show that acetaldehyde was able to induce and maintain a drug-taking behaviour, displaying an escalation during training, and a reinstatement behaviour after 1-week forced abstinence. Acetaldehyde operant drinking behaviour involved D2-receptor signalling: in particular, quinpirole administration at 0.03 mg/kg, induced a significant decrease in the number of lever presses both in extinction and in relapse. Ropinirole, administered at 0.03 mg/kg during extinction, did not produce any modification but, when administered during abstinence, induced a strong decrease in acetaldehyde intake in the following relapse session. Taken together, our data suggest that acetaldehyde exerts its own motivational properties, involving the dopaminergic transmission: indeed, activation of pre-synaptic D2-receptors by quinpirole, during extinction and relapse, negatively affects operant behaviour for acetaldehyde, likely decreasing acetaldehyde-induced dopamine release. The activation of post-synaptic D2-receptors by ropinirole, during abstinence, decreases the motivation to the consecutive reinstatement of acetaldehyde drinking behaviour, likely counteracting the reduction in the dopaminergic tone typical of withdrawal. These data further strengthen the evidence

  19. Plant physiological and environmental controls over the exchange of acetaldehyde between forest canopies and the atmosphere

    NASA Astrophysics Data System (ADS)

    Jardine, K.; Harley, P.; Karl, T.; Guenther, A.; Lerdau, M.; Mak, J. E.

    2008-06-01

    We quantified fine scale sources and sinks of gas phase acetaldehyde in two forested ecosystems in the US. During the daytime, the upper canopy behaved as a net source while at lower heights, reduced emission rates or net uptake were observed. At night, uptake generally predominated thoughout the canopies. Net ecosystem emission rates were inversely related to foliar density which influenced the extinction of light and the acetaldehyde compensation point in the canopy. This is supported by branch level studies revealing much higher compensation points in the light than in the dark for poplar (Populus deltoides) and holly oak (Quercus ilex) implying a higher light/temperature sensitivity for acetaldehyde production relative to consumption. The view of stomata as the major pathway for acetaldehyde exchange is supported by strong linear correlations between branch transpiration rates and acetaldehyde exchange velocities for both species. In addition, natural abundance carbon isotope analysis of gas-phase acetaldehyde during poplar branch fumigation experiments revealed a significant kinetic isotope effect of 5.1±0.3‰, associated with the uptake of acetaldehyde. Similar experiments with dry dead poplar leaves showed no fractionation or uptake of acetaldehyde, confirming that this is only a property of living leaves. We suggest that acetaldehyde belongs to a potentially large list of plant metabolites where stomatal conductance can exert long term control over both emission and uptake rates due to the presence of both source(s) and sink(s) within the leaf which strongly buffer large changes in concentrations in the substomatal airspace due to changes in stomatal conductance. We conclude that the exchange of acetaldehyde between plant canopies and the atmosphere is fundamentally controlled by ambient acetaldehyde concentrations, stomatal conductance, and the acetaldehyde compensation point.

  20. Acetaldehyde kinetics of enological yeast during alcoholic fermentation in grape must.

    PubMed

    Li, Erhu; Mira de Orduña, Ramón

    2017-02-01

    Acetaldehyde strongly binds to the wine preservative SO2 and, on average, causes 50-70 mg l(-1) of bound SO2 in red and white wines, respectively. Therefore, a reduction of bound and total SO2 concentrations necessitates knowledge of the factors that affect final acetaldehyde concentrations in wines. This study provides a comprehensive analysis of the acetaldehyde production and degradation kinetics of 26 yeast strains of oenological relevance during alcoholic fermentation in must under controlled anaerobic conditions. Saccharomyces cerevisiae and non-Saccharomyces strains displayed similar metabolic kinetics where acetaldehyde reached an initial peak value at the beginning of fermentations followed by partial reutilization. Quantitatively, the range of values obtained for non-Saccharomyces strains greatly exceeded the variability among the S. cerevisiae strains tested. Non-Saccharomyces strains of the species C. vini, H. anomala, H. uvarum, and M. pulcherrima led to low acetaldehyde residues (<10 mg l(-1)), while C. stellata, Z. bailii, and, especially, a S. pombe strain led to large residues (24-48 mg l(-1)). Acetaldehyde residues in S. cerevisiae cultures were intermediate and less dispersed (14-34 mg l(-1)). Addition of SO2 to Chardonnay must triggered significant increases in acetaldehyde formation and residual acetaldehyde. On average, 0.33 mg of residual acetaldehyde remained per mg of SO2 added to must, corresponding to an increase of 0.47 mg of bound SO2 per mg of SO2 added. This research demonstrates that certain non-Saccharomyces strains display acetaldehyde kinetics that would be suitable to reduce residual acetaldehyde, and hence, bound-SO2 levels in grape wines. The acetaldehyde formation potential may be included as strain selection argument in view of reducing preservative SO2 concentrations.

  1. Acetaldehyde removal from indoor air through chemical absorption using L-cysteine.

    PubMed

    Yamashita, Kyoko; Noguchi, Miyuki; Mizukoshi, Atsushi; Yanagisawa, Yukio

    2010-09-01

    The irreversible removal of acetaldehyde from indoor air via a chemical reaction with amino acids was investigated. To compare effectiveness, five types of amino acid (glycine, l-lysine, l-methionine, l-cysteine, and l-cystine) were used as the reactants. First, acetaldehyde-laden air was introduced into aqueous solutions of each amino acid and the removal abilities were compared. Among the five amino acids, l-cysteine solution showed much higher removal efficiency, while the other amino acids solutions didn't show any significant differences from the removal efficiency of water used as a control. Next, as a test of the removal abilities of acetaldehyde by semi-solid l-cysteine, a gel containing l-cysteine solution was put in a fluororesin bag filled with acetaldehyde gas, and the change of acetaldehyde concentration was measured. The l-cysteine-containing gel removed 80% of the acetaldehyde in the air within 24 hours. The removal ability likely depended on the unique reaction whereby acetaldehyde and l-cysteine rapidly produce 2-methylthiazolidine-4-carboxylic acid. These results suggested that the reaction between acetaldehyde and l-cysteine has possibilities for irreversibly removing toxic acetaldehyde from indoor air.

  2. Enzymology of acetone-butanol-isopropanol formation

    SciTech Connect

    Chen, Jiann-Shin.

    1992-01-01

    The long-term goal of the project is to understand the fundamental properties of biological solvent production. Our approach is to elucidate first the molecular properties of solvent-producing enzymes and then to apply to information gained from the enzymological study to investigate control mechanisms for the solvent-producing pathways and the expression of solvent-production genes. Our research primarily involves two strains of Clostridium beijerinckii: C. Beijerinckii NRRL B593 which produces isopropanol in addition to acetone, butanol, and ethanol, and C. beijerinckii NRRL B592 which produces acetone, butanol and ethanol, but not isopropanol. In more recent studies, we also included another solvent-producing organism, Bacillus macerans. Objectives for the reporting period were: to characterize the distinct types of alcohol dehydrogenase; to purify and characterize acetoacetyl-CoA-reacting enzymes; and to clone and sequence the gene encoding the primary/secondary alcohol dehydrogenase of C beijerinckii NRRL B593 and to search for the promoter region for solvent-production genes.

  3. Economic evaluation of the acetone - butanol fermentation

    SciTech Connect

    Lenz, T.G.; Morevra, A.R.

    1980-12-01

    The economics of producing acetone and 1-butanol via fermentation have been examined for a 45 X 10 to the power of 6 kg of solvents/year plant. For a molasses substrate, the total annual production costs were about $24.4 million vs. a total annual income of $36 million, with about $20 million total required capital. Molasses cost of about $24.4 million/year was critical to these economics. Liquid whey was next evaluated as an alternative feed. Whey feed saved about $11 million annually in feed costs and yielded about $7 million net additional annual revenues from protein sale. These primary differences gave an annual gross profit of about $15 million for the whey case and resulted in a discounted cash flow rate of return of 29%. It is concluded that waste based acetone-butanol production via fermentation deserves further attention in view of the attractive whey-based economics and the excellent potential of butanol as a fuel extender, especially for diesohol blending.

  4. Acetone-butanol Fermentation of Marine Macroalgae

    SciTech Connect

    Huesemann, Michael H.; Kuo, Li-Jung; Urquhart, Lindsay A.; Gill, Gary A.; Roesijadi, Guritno

    2012-03-01

    Mannitol and laminarin, which are present at high concentrations in the brown macroalga Saccharina spp., a type of kelp, are potential biochemical feedstocks for butanol production. To test their bioconversion potential, aqueous extracts of the kelp Saccharina spp., mannitol, and glucose (a product of laminarin hydrolysis) were subjected to acetone-butanol fermentation by Clostridium acetobutylicum (ATCC 824). Both mannitol and glucose were readily fermented. Mixed substrate fermentations with glucose and mannitol resulted in diauxic growth of C. acetobutylicum with glucose depletion preceding mannitol utilization. Fermentation of kelp extract exhibited triauxic growth, with an order of utilization of free glucose, mannitol, and bound glucose, presumably laminarin. The lag in laminarin utilization reflected the need for enzymatic hydrolysis of this polysaccharide into fermentable sugars. The butanol and total solvent yields were 0.12 g/g and 0.16 g/g, respectively, indicating that significant improvements are still needed to make industrial-scale acetone-butanol fermentations of seaweed economically feasible.

  5. Sensory effect of acetaldehyde on the perception of 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine: Role of acetaldehyde in sensory interactions

    DOE PAGES

    Coetzee, C.; Brand, J.; Jacobson, Daniel A.; ...

    2016-01-28

    Background and Aims-Wine aroma is influenced by complex interactions between various wine constituents. This study investigated the sensory interactive effects of Sauvignon Blanc impact compounds, 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine, with acetaldehyde that typically forms during the oxidation of wine. Methods and Results-Spiked model wines were subjected to sensory descriptive analysis using a trained sensory panel. Additionally, the concentration of each compound varied from below aroma threshold values to high values as reported for wine. Depending on the concentration, acetaldehyde enhanced fruity attributes at a lower concentration, whereas suppression occurred at a higher concentration. Acetaldehyde effectively suppressed the green pepper aroma attributemore » at certain concentration values, whereas 3-mercaptohexan-1-ol suppressed oxidised green apple associated with acetaldehyde. Changes in attributes used for aroma description also occurred because of change in concentration. Conclusions-Complex sensory interactions may occur between Sauvignon Blanc impact compounds and one of the main oxidation-derived compounds, acetaldehyde. Acetaldehyde can enhance or suppress pleasant fruity characters depending on the concentration. Significance of the Study-This study showed the potential positive effect of acetaldehyde on white wine aroma when present at a low concentration. Formation of this compound during winemaking and ageing should, however, be controlled because of negative sensory interactions occurring at a higher concentration. In conclusion, this study may also contribute to the sensory characterisation of Sauvignon Blanc wine undergoing oxidation.« less

  6. Sensory effect of acetaldehyde on the perception of 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine: Role of acetaldehyde in sensory interactions

    SciTech Connect

    Coetzee, C.; Brand, J.; Jacobson, Daniel A.; Du Toit, W. J.

    2016-01-28

    Background and Aims-Wine aroma is influenced by complex interactions between various wine constituents. This study investigated the sensory interactive effects of Sauvignon Blanc impact compounds, 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine, with acetaldehyde that typically forms during the oxidation of wine. Methods and Results-Spiked model wines were subjected to sensory descriptive analysis using a trained sensory panel. Additionally, the concentration of each compound varied from below aroma threshold values to high values as reported for wine. Depending on the concentration, acetaldehyde enhanced fruity attributes at a lower concentration, whereas suppression occurred at a higher concentration. Acetaldehyde effectively suppressed the green pepper aroma attribute at certain concentration values, whereas 3-mercaptohexan-1-ol suppressed oxidised green apple associated with acetaldehyde. Changes in attributes used for aroma description also occurred because of change in concentration. Conclusions-Complex sensory interactions may occur between Sauvignon Blanc impact compounds and one of the main oxidation-derived compounds, acetaldehyde. Acetaldehyde can enhance or suppress pleasant fruity characters depending on the concentration. Significance of the Study-This study showed the potential positive effect of acetaldehyde on white wine aroma when present at a low concentration. Formation of this compound during winemaking and ageing should, however, be controlled because of negative sensory interactions occurring at a higher concentration. In conclusion, this study may also contribute to the sensory characterisation of Sauvignon Blanc wine undergoing oxidation.

  7. Methanol partial oxidation reformer

    DOEpatents

    Ahmed, Shabbir; Kumar, Romesh; Krumpelt, Michael

    1999-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

  8. Methanol partial oxidation reformer

    DOEpatents

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-17

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  9. Methanol partial oxidation reformer

    DOEpatents

    Ahmed, S.; Kumar, R.; Krumpelt, M.

    1999-08-24

    A partial oxidation reformer is described comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell. 7 figs.

  10. Methanol partial oxidation reformer

    DOEpatents

    Ahmed, Shabbir; Kumar, Romesh; Krumpelt, Michael

    2001-01-01

    A partial oxidation reformer comprising a longitudinally extending chamber having a methanol, water and an air inlet and an outlet. An igniter mechanism is near the inlets for igniting a mixture of methanol and air, while a partial oxidation catalyst in the chamber is spaced from the inlets and converts methanol and oxygen to carbon dioxide and hydrogen. Controlling the oxygen to methanol mole ratio provides continuous slightly exothermic partial oxidation reactions of methanol and air producing hydrogen gas. The liquid is preferably injected in droplets having diameters less than 100 micrometers. The reformer is useful in a propulsion system for a vehicle which supplies a hydrogen-containing gas to the negative electrode of a fuel cell.

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

    DOEpatents

    Duan, Yixiang; Cao, Wenqing

    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.

  12. [Acetaldehyde and some biochemical parameters in alcoholic intoxications].

    PubMed

    Vasil'eva, E V; Morozov, Iu E; Lopatkin, O N; Zarubin, V V; Mamedov, V K

    2004-01-01

    The need in comprehensive gas chromatography and biochemistry examinations is grounded for cadaver expertise in order to cope with issues related with alcoholic intoxication. Descriptions of 3 examination methods of biological fluids are elucidated, i.e. gas chromatography, electrophoresis and fixing of a degree of endogenous intoxication. The concentration of acetaldehyde in 3 body media (blood, urine and liquor) are analyzed in detail; the isoenzyme spectra of lactate-, alcohol- and aldehyde dehydrogenase as well as the contents of medium molecules in death of alcohol poisonings and due to mechanical trauma are also in the focus of attention.

  13. Plant physiological and environmental controls over the exchange of acetaldehyde between forest canopies and the atmosphere

    NASA Astrophysics Data System (ADS)

    Jardine, K.; Harley, P.; Karl, T.; Guenther, A.; Lerdau, M.; Mak, J. E.

    2008-11-01

    We quantified fine scale sources and sinks of gas phase acetaldehyde in two forested ecosystems in the US. During the daytime, the upper canopy behaved as a net source while at lower heights, reduced emission rates or net uptake were observed. At night, uptake generally predominated throughout the canopies. Net ecosystem emission rates were inversely related to foliar density due to the extinction of light in the canopy and a respective decrease of the acetaldehyde compensation point. This is supported by branch level studies revealing much higher compensation points in the light than in the dark for poplar (Populus deltoides) and holly oak (Quercus ilex) implying a higher light/temperature sensitivity for acetaldehyde production relative to consumption. The view of stomata as the major pathway for acetaldehyde exchange is supported by strong linear correlations between branch transpiration rates and acetaldehyde exchange velocities for both species. In addition, natural abundance carbon isotope analysis of gas-phase acetaldehyde during poplar branch fumigation experiments revealed a significant kinetic isotope effect of 5.1±0.3‰ associated with the uptake of acetaldehyde. Similar experiments with dry dead poplar leaves showed no fractionation or uptake of acetaldehyde, confirming that this is only a property of living leaves. We suggest that acetaldehyde belongs to a potentially large list of plant metabolites where stomatal resistance can exert long term control over both emission and uptake rates due to the presence of both source(s) and sink(s) within the leaf which strongly buffer large changes in concentrations in the substomatal airspace due to changes in stomatal resistance. We conclude that the exchange of acetaldehyde between plant canopies and the atmosphere is fundamentally controlled by ambient acetaldehyde concentrations, stomatal resistance, and the compensation point which is a function of light/temperature.

  14. Dietary methanol and autism.

    PubMed

    Walton, Ralph G; Monte, Woodrow C

    2015-10-01

    The authors sought to establish whether maternal dietary methanol during pregnancy was a factor in the etiology of autism spectrum disorders. A seven item questionnaire was given to women who had given birth to at least one child after 1984. The subjects were solicited from a large primary care practice and several internet sites and separated into two groups - mothers who had given birth to a child with autism and those who had not. Average weekly methanol consumption was calculated based on questionnaire responses. 550 questionnaires were completed by women who gave birth to a non-autistic child. On average these women consumed 66.71mg. of methanol weekly. 161 questionnaires were completed by women who had given birth to an autistic child. The average estimated weekly methanol consumption for this group was 142.31mg. Based on the results of the Wilcoxon rank sum-test, we see a significant difference between the reported methanol consumption rates of the two groups. This study suggests that women who have given birth to an autistic child are likely to have had higher intake of dietary sources of methanol than women who have not. Further investigation of a possible link of dietary methanol to autism is clearly warranted.

  15. Reduction of acetone to isopropanol using producer gas fermenting microbes.

    PubMed

    Ramachandriya, Karthikeyan D; Wilkins, Mark R; Delorme, Marthah J M; Zhu, Xiaoguang; Kundiyana, Dimple K; Atiyeh, Hasan K; Huhnke, Raymond L

    2011-10-01

    Gasification-fermentation is an emerging technology for the conversion of lignocellulosic materials into biofuels and specialty chemicals. For effective utilization of producer gas by fermenting bacteria, tar compounds produced in the gasification process are often removed by wet scrubbing techniques using acetone. In a preliminary study using biomass generated producer gas scrubbed with acetone, an accumulation of acetone and subsequent isopropanol production was observed. The effect of 2 g/L acetone concentrations in the fermentation media on growth and product distributions was studied with "Clostridium ragsdalei," also known as Clostridium strain P11 or P11, and Clostridium carboxidivorans P7 or P7. The reduction of acetone to isopropanol was possible with "C. ragsdalei," but not with P7. In P11 this reaction occurred rapidly when acetone was added in the acidogenic phase, but was 2.5 times slower when added in the solventogenic phase. Acetone at concentrations of 2 g/L did not affect the growth of P7, but ethanol increased by 41% and acetic acid concentrations decreased by 79%. In the fermentations using P11, growth was unaffected and ethanol concentrations increased by 55% when acetone was added in the acidogenic phase. Acetic acid concentrations increased by 19% in both the treatments where acetone was added. Our observations indicate that P11 has a secondary alcohol dehydrogenase that enables it to reduce acetone to isopropanol, while P7 lacks this enzyme. P11 offers an opportunity for biological production of isopropanol from acetone reduction in the presence of gaseous substrates (CO, CO₂, and H₂).

  16. Dissociative electron attachment studies on acetone

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

    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.

  17. Dissociative electron attachment studies on acetone

    SciTech Connect

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

    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.

  18. A PBPK MODEL FOR EVALUATING THE IMPACT OF ALDEHYDE DEHYDROGENASE POLYMORPHISMS ON COMPARATIVE RAT AND HUMAN NASAL TISSUE ACETALDEHYDE DOSIMETRY

    EPA Science Inventory

    ABSTRACT: Acetaldehyde is an important intermediate in chemical synthesis and a byproduct of normal oxidative metabolism of several industrially important compounds including ethanol, ethyl acetate and vinyl acetate. Chronic inhalation of acetaldehyde leads to degeneratio...

  19. A PBPK model for evaluating the impact of aldehyde dehydrogenase polymorphisms on comparative rat and human nasal tissue acetaldehyde dosimetry*

    EPA Science Inventory

    Acetaldehyde is an important intermediate in the chemical synthesis and normal oxidative metabolism of several industrially important compounds, including ethanol, ethyl acetate, and vinyl acetate. Chronic inhalation of acetaldehyde leads to degeneration of the olfactory and resp...

  20. Oxygen vacancy-assisted coupling and enolization of acetaldehyde on CeO2(111).

    PubMed

    Calaza, Florencia C; Xu, Ye; Mullins, David R; Overbury, Steven H

    2012-10-31

    The temperature-dependent adsorption and reaction of acetaldehyde (CH(3)CHO) on a fully oxidized and a highly reduced thin-film CeO(2)(111) surface have been investigated using a combination of reflection-absorption infrared spectroscopy (RAIRS) and periodic density functional theory (DFT+U) calculations. On the fully oxidized surface, acetaldehyde adsorbs weakly through its carbonyl O interacting with a lattice Ce(4+) cation in the η(1)-O configuration. This state desorbs at 210 K without reaction. On the highly reduced surface, new vibrational signatures appear below 220 K. They are identified by RAIRS and DFT as a dimer state formed from the coupling of the carbonyl O and the acyl C of two acetaldehyde molecules. This dimer state remains up to 400 K before decomposing to produce another distinct set of vibrational signatures, which are identified as the enolate form of acetaldehyde (CH(2)CHO¯). Furthermore, the calculated activation barriers for the coupling of acetaldehyde, the decomposition of the dimer state, and the recombinative desorption of enolate and H as acetaldehyde are in good agreement with previously reported TPD results for acetaldehyde adsorbed on reduced CeO(2)(111) [Chen et al. J. Phys. Chem. C 2011, 115, 3385]. The present findings demonstrate that surface oxygen vacancies alter the reactivity of the CeO(2)(111) surface and play a crucial role in stabilizing and activating acetaldehyde for coupling reactions.

  1. The hydrogen-storing microporous silica 'Microcluster' reduces acetaldehyde contained in a distilled spirit.

    PubMed

    Kato, Shinya; Miwa, Nobuhiko

    2016-12-01

    Acetaldehyde is a detrimental substance produced in alcoholic liquor aging. We assessed an ability of hydrogen-storing microporous silica 'Microcluster' (MC+) to reduce acetaldehyde, as compared with autoclave-dehydrogenated MC+ (MC-). Acetaldehyde was quantified spectrophotometrically by an enzymatic method. Authentic acetaldehyde was treated by MC+ for 20min, and decreased from 43.4ppm to 10.9ppm, but maintained at 49.3ppm by MC-. On the other hand, acetaldehyde contained in a distilled spirit was decreased from 29.5ppm to 3.1ppm at 20min by MC+, but not decreased by MC-. Addition of MC+ or MC- to distilled water without acetaldehyde showed no seeming effect on the quantification used. Accordingly acetaldehyde in a distilled spirit is reduced to ethanol by hydrogen contained in MC+, but not by the silica moiety of MC+. Hydrogen gas of 1.2mL was released for 20min from MC+ of 0.59g in water, resulting in dissolved hydrogen of 1.09ppm and an oxidation- reduction potential of -687.0mV indicative of a marked reducing ability. Thus, MC+ has an ability to reduce acetaldehyde in a distilled spirit due to dissolved hydrogen released from MC+.

  2. A physiologically based model for ethanol and acetaldehyde metabolism in human beings.

    PubMed

    Umulis, David M; Gürmen, Nihat M; Singh, Prashant; Fogler, H Scott

    2005-01-01

    Pharmacokinetic models for ethanol metabolism have contributed to the understanding of ethanol clearance in human beings. However, these models fail to account for ethanol's toxic metabolite, acetaldehyde. Acetaldehyde accumulation leads to signs and symptoms, such as cardiac arrhythmias, nausea, anxiety, and facial flushing. Nevertheless, it is difficult to determine the levels of acetaldehyde in the blood or other tissues because of artifactual formation and other technical issues. Therefore, we have constructed a promising physiologically based pharmacokinetic (PBPK) model, which is an excellent match for existing ethanol and acetaldehyde concentration-time data. The model consists of five compartments that exchange material: stomach, gastrointestinal tract, liver, central fluid, and muscle. All compartments except the liver are modeled as stirred reactors. The liver is modeled as a tubular flow reactor. We derived average enzymatic rate laws for alcohol dehydrogenase (ADH) and acetaldehyde dehydrogenase (ALDH), determined kinetic parameters from the literature, and found best-fit parameters by minimizing the squared error between our profiles and the experimental data. The model's transient output correlates strongly with the experimentally observed results for healthy individuals and for those with reduced ALDH activity caused by a genetic deficiency of the primary acetaldehyde-metabolizing enzyme ALDH2. Furthermore, the model shows that the reverse reaction of acetaldehyde back into ethanol is essential and keeps acetaldehyde levels approximately 10-fold lower than if the reaction were irreversible.

  3. The detection of acetaldehyde in cold dust clouds

    NASA Technical Reports Server (NTRS)

    Matthews, H. E.; Friber, P.; Irvine, W. M.

    1985-01-01

    Observations of the 1(01)-0(00) rotational transitions of A and E state acetaldehyde are reported. The transitions were detected, for the first time in interstellar space, in the cold dust clouds TMC-1 and L134N, and in Sgr B2. This is also the first time acetaldehyde has been found in a dust cloud and is the most complex oxygen-bearing molecule yet known in this environment. A column density of 6 x 10 to the 12th/sq cm in TMC-1, comparable to many other species detected there, and an approximately equal column density in L134N are formed. In the direction of Sgr B2, the CH3CHO profile appears to consist of broad emission features from the hot molecular cloud core, together with absorption features resulting from intervening colder material. The possible detection of HC9N toward IRC + 10 deg 216 through its J = 33-32 transition is also reported. Implications for cold dust cloud chemistry and excitation are discussed.

  4. Role of malondialdehyde-acetaldehyde adducts in liver injury.

    PubMed

    Tuma, Dean J

    2002-02-15

    Malondialdehyde and acetaldehyde react together with proteins in a synergistic manner and form hybrid protein adducts, designated as MAA adducts. MAA-protein adducts are composed of two major products whose structures and mechanism of formation have been elucidated. MAA adduct formation, especially in the liver, has been demonstrated in vivo during ethanol consumption. These protein adducts are capable of inducing a potent immune response, resulting in the generation of antibodies against both MAA epitopes, as well as against epitopes on the carrier protein. Chronic ethanol administration to rats results in significant circulating antibody titers against MAA-adducted proteins, and high anti-MAA titers have been associated with the severity of liver damage in humans with alcoholic liver disease. In vitro exposure of liver endothelial or hepatic stellate cells to MAA adducts induces a proinflammatory and profibrogenic response in these cells. Thus, during excessive ethanol consumption, ethanol oxidation and ethanol-induced oxidative stress result in the formation of acetaldehyde and malondialdehyde, respectively. These aldehydes can react together synergistically with proteins and generate MAA adducts, which are very immunogenic and possess proinflammatory and profibrogenic properties. By virtue of these potentially toxic effects, MAA adducts may play an important role in the pathogenesis of alcoholic liver injury.

  5. The Methanol Multibeam Survey

    NASA Astrophysics Data System (ADS)

    Green, James A.; Cohen, R. J.; Caswell, J. L.; Fuller, G. A.; Brooks, K.; Burton, M. G.; Chrysostomou, A.; Diamond, P. J.; Ellingsen, S. P.; Gray, M. D.; Hoare, M. G.; Masheder, M. R. W.; McClure-Griffiths, N.; Pestalozzi, M.; Phillips, C.; Quinn, L.; Thompson, M. A.; Voronkov, M.; Walsh, A.; Ward-Thompson, D.; Wong-McSweeney, D.; Yates, J. A.; Cox, J.

    2007-03-01

    A new 7-beam methanol multibeam receiver is being used to survey the Galaxy for newly forming massive stars, that are pinpointed by strong methanol maser emission at 6.668 GHz. The receiver, jointly constructed by Jodrell Bank Observatory (JBO) and the Australia Telescope National Facility (ATNF), was successfully commissioned at Parkes in January 2006. The Parkes-Jodrell survey of the Milky Way for methanol masers is two orders of magnitude faster than previous systematic surveys using 30-m class dishes, and is the first systematic survey of the entire Galactic plane. The first 53 days of observations with the Parkes telescope have yielded 518 methanol sources, of which 218 are new discoveries. We present the survey methodology as well as preliminary results and analysis.

  6. Methanol Cannon Demonstrations Revisited.

    ERIC Educational Resources Information Center

    Dolson, David A.; And Others

    1995-01-01

    Describes two variations on the traditional methanol cannon demonstration. The first variation is a chain reaction using real metal chains. The second example involves using easily available components to produce sequential explosions that can be musical in nature. (AIM)

  7. Effect of Cobalt Particle Size on Acetone Steam Reforming

    SciTech Connect

    Sun, Junming; Zhang, He; Yu, Ning; Davidson, Stephen; Wang, Yong

    2015-06-11

    Carbon-supported cobalt nanoparticles with different particle sizes were synthesized and characterized by complementary characterization techniques such as X-ray diffraction, N-2 sorption, acetone temperature-programmed desorption, transmission electron microscopy, and CO chemisorption. Using acetone steam reforming reaction as a probe reaction, we revealed a volcano-shape curve of the intrinsic activity (turnover frequency of acetone) and the CO2 selectivity as a function of the cobalt particle size with the highest activity and selectivity observed at a particle size of approximately 12.8nm. Our results indicate that the overall performance of acetone steam reforming is related to a combination of particle-size-dependent acetone decomposition, water dissociation, and the oxidation state of the cobalt nanoparticles.

  8. Very early acetaldehyde production by industrial Saccharomyces cerevisiae strains: a new intrinsic character.

    PubMed

    Cheraiti, Naoufel; Guezenec, Stéphane; Salmon, Jean-Michel

    2010-03-01

    During a general survey of the acetaldehyde-producing properties of commercially available wine yeast strains, we discovered that, although final acetaldehyde production cannot be used as a discriminating factor between yeast strains, initial specific acetaldehyde production rates were of highly interest for classifying yeast strains. This parameter is very closely related to the growth- and fermentation-lag phase durations. We also found that this acetaldehyde early production occurs with very different extent between commercial active dry yeast strains during the rehydration phase and could partially explain the known variable resistance of yeast strains to sulfites. Acetaldehyde production appeared, therefore, as very precocious, strain-dependent, and biomass-independent character. These various findings suggest that this new intrinsic characteristic of industrial fermenting yeast may be likely considered as an early marker of the general fermenting activity of industrial fermenting yeasts. This phenomenon could be particularly important for understanding the ecology of colonization of complex fermentation media by Saccharomyces cerevisiae.

  9. The Asian methanol market

    SciTech Connect

    Nagase, Hideki

    1995-12-31

    For the purpose of this presentation, Asia has been broadly defined as a total of 15 countries, namely Japan, Korea, Taiwan, China, Hong Kong, the Philippines, Thailand, Malaysia, Singapore, Indonesia, Myanmar, India, Vietnam, Australia and New Zealand. In 1994 and the first half of 1995, the methanol industry and its derivative industries experienced hard time, because of extraordinarily high methanol prices. In spite of this circumstance, methanol demand in Asian countries has been growing steadily and remarkably, following Asian high economic growth. Most of this growth in demand has been and will continue to be met by outside supply. However, even with increased import of methanol from outside of Asia, as a result of this growth, Asian trade volume will be much larger in the coming years. Asian countries must turn their collective attention to making logistics and transportation for methanol and its derivatives more efficient in the Asian region to make better use of existing supply resources. The author reviews current economic growth as his main topic, and explains the forecast of the growth of methanol demand and supply in Asian countries in the near future.

  10. C1 Metabolism in Corynebacterium glutamicum: an Endogenous Pathway for Oxidation of Methanol to Carbon Dioxide

    PubMed Central

    Witthoff, Sabrina; Mühlroth, Alice

    2013-01-01

    Methanol is considered an interesting carbon source in “bio-based” microbial production processes. Since Corynebacterium glutamicum is an important host in industrial biotechnology, in particular for amino acid production, we performed studies of the response of this organism to methanol. The C. glutamicum wild type was able to convert 13C-labeled methanol to 13CO2. Analysis of global gene expression in the presence of methanol revealed several genes of ethanol catabolism to be upregulated, indicating that some of the corresponding enzymes are involved in methanol oxidation. Indeed, a mutant lacking the alcohol dehydrogenase gene adhA showed a 62% reduced methanol consumption rate, indicating that AdhA is mainly responsible for methanol oxidation to formaldehyde. Further studies revealed that oxidation of formaldehyde to formate is catalyzed predominantly by two enzymes, the acetaldehyde dehydrogenase Ald and the mycothiol-dependent formaldehyde dehydrogenase AdhE. The Δald ΔadhE and Δald ΔmshC deletion mutants were severely impaired in their ability to oxidize formaldehyde, but residual methanol oxidation to CO2 was still possible. The oxidation of formate to CO2 is catalyzed by the formate dehydrogenase FdhF, recently identified by us. Similar to the case with ethanol, methanol catabolism is subject to carbon catabolite repression in the presence of glucose and is dependent on the transcriptional regulator RamA, which was previously shown to be essential for expression of adhA and ald. In conclusion, we were able to show that C. glutamicum possesses an endogenous pathway for methanol oxidation to CO2 and to identify the enzymes and a transcriptional regulator involved in this pathway. PMID:24014532

  11. C1 metabolism in Corynebacterium glutamicum: an endogenous pathway for oxidation of methanol to carbon dioxide.

    PubMed

    Witthoff, Sabrina; Mühlroth, Alice; Marienhagen, Jan; Bott, Michael

    2013-11-01

    Methanol is considered an interesting carbon source in "bio-based" microbial production processes. Since Corynebacterium glutamicum is an important host in industrial biotechnology, in particular for amino acid production, we performed studies of the response of this organism to methanol. The C. glutamicum wild type was able to convert (13)C-labeled methanol to (13)CO2. Analysis of global gene expression in the presence of methanol revealed several genes of ethanol catabolism to be upregulated, indicating that some of the corresponding enzymes are involved in methanol oxidation. Indeed, a mutant lacking the alcohol dehydrogenase gene adhA showed a 62% reduced methanol consumption rate, indicating that AdhA is mainly responsible for methanol oxidation to formaldehyde. Further studies revealed that oxidation of formaldehyde to formate is catalyzed predominantly by two enzymes, the acetaldehyde dehydrogenase Ald and the mycothiol-dependent formaldehyde dehydrogenase AdhE. The Δald ΔadhE and Δald ΔmshC deletion mutants were severely impaired in their ability to oxidize formaldehyde, but residual methanol oxidation to CO2 was still possible. The oxidation of formate to CO2 is catalyzed by the formate dehydrogenase FdhF, recently identified by us. Similar to the case with ethanol, methanol catabolism is subject to carbon catabolite repression in the presence of glucose and is dependent on the transcriptional regulator RamA, which was previously shown to be essential for expression of adhA and ald. In conclusion, we were able to show that C. glutamicum possesses an endogenous pathway for methanol oxidation to CO2 and to identify the enzymes and a transcriptional regulator involved in this pathway.

  12. Resolving Some Paradoxes in the Thermal Decomposition Mechanism of Acetaldehyde.

    PubMed

    Sivaramakrishnan, Raghu; Michael, Joe V; Harding, Lawrence B; Klippenstein, Stephen J

    2015-07-16

    The mechanism for the thermal decomposition of acetaldehyde has been revisited with an analysis of literature kinetics experiments using theoretical kinetics. The present modeling study was motivated by recent observations, with very sensitive diagnostics, of some unexpected products in high temperature microtubular reactor experiments on the thermal decomposition of CH3CHO and its deuterated analogs, CH3CDO, CD3CHO, and CD3CDO. The observations of these products prompted the authors of these studies to suggest that the enol tautomer, CH2CHOH (vinyl alcohol), is a primary intermediate in the thermal decomposition of acetaldehyde. The present modeling efforts on acetaldehyde decomposition incorporate a master equation reanalysis of the CH3CHO potential energy surface (PES). The lowest-energy process on this PES is an isomerization of CH3CHO to CH2CHOH. However, the subsequent product channels for CH2CHOH are substantially higher in energy, and the only unimolecular process that can be thermally accessed is a reisomerization to CH3CHO. The incorporation of these new theoretical kinetics predictions into models for selected literature experiments on CH3CHO thermal decomposition confirms our earlier experiment and theory-based conclusions that the dominant decomposition process in CH3CHO at high temperatures is C-C bond fission with a minor contribution (∼10-20%) from the roaming mechanism to form CH4 and CO. The present modeling efforts also incorporate a master-equation analysis of the H + CH2CHOH potential energy surface. This bimolecular reaction is the primary mechanism for removal of CH2CHOH, which can accumulate to minor amounts at high temperatures, T > 1000 K, in most lab-scale experiments that use large initial concentrations of CH3CHO. Our modeling efforts indicate that the observation of ketene, water, and acetylene in the recent microtubular experiments are primarily due to bimolecular reactions of CH3CHO and CH2CHOH with H-atoms and have no bearing on

  13. Measuring breath acetone for monitoring fat loss: Review

    PubMed Central

    2015-01-01

    Objective 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. Results 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. Conclusions When biologic factors are controlled, BrAce measurement provides a non‐invasive tool for monitoring the rate of fat loss in healthy subjects. PMID:26524104

  14. Methanol Gas-Sensing Properties of SWCNT-MIP Composites

    NASA Astrophysics Data System (ADS)

    Zhang, Jin; Zhu, Qin; Zhang, Yumin; Zhu, Zhongqi; Liu, Qingju

    2016-11-01

    The single-walled carbon nanotube (SWCNT)-molecularly imprinted powder (MIP) composites in this paper were prepared by mixing SWCNTs with MIPs. The structure and micrograph of the as-prepared SWCNTs-MIPs samples were characterized by XRD and TEM. The gas-sensing properties were tested through indirect-heating sensors based on SWCNT-MIP composites fabricating on an alumina tube with Au electrodes and Pt wires. The results showed that the structure of SWCNTs-MIPs is of orthogonal perovskite and the average particle size of the SWCNTs-MIPs was in the range of 10-30 nm. SWCNTs-MIPs exhibit good methanol gas-sensitive properties. At 90 °C, the response to 1 ppm methanol is 19.7, and the response to the interferent is lower than 5 to the other interferent gases (ethanol, formaldehyde, toluene, acetone, ammonia, and gasoline). The response time and recovery time are 50 and 58 s, respectively.

  15. Acetaldehyde involvement in ethanol's postabsortive effects during early ontogeny.

    PubMed

    March, Samanta M; Abate, P; Molina, Juan C

    2013-01-01

    Clinical and biomedical studies sustains the notion that early ontogeny is a vulnerable window to the impact of alcohol. Experiences with the drug during these stages increase latter disposition to prefer, use or abuse ethanol. This period of enhanced sensitivity to ethanol is accompanied by a high rate of activity in the central catalase system, which metabolizes ethanol in the brain. Acetaldehyde (ACD), the first oxidation product of ethanol, has been found to share many neurobehavioral effects with the drug. Cumulative evidence supports this notion in models employing adults. Nevertheless very few studies have been conducted to analyze the role of ACD in ethanol postabsorptive effects, in newborns or infant rats. In this work we review recent experimental literature that syndicates ACD as a mediator agent of reinforcing aspects of ethanol, during early ontogenetic stages. We also show a meta-analytical correlational approach that proposes how differences in the activity of brain catalase across ontogeny, could be modulating patterns of ethanol consumption.

  16. Pyrolysis of Acetaldehyde: a Fleeting Glimpse of Vinylidene

    NASA Astrophysics Data System (ADS)

    Vasilou, A. J.; Piech, K. M.; Ellison, G. B.; Golan, A.; Kostko, O.; Ahmed, M.; Osborn, D. L.; Daily, J. W.; Nimlos, M. R.; Stanton, J. F.

    2011-06-01

    The thermal decomposition of acetaldehyde has been studied in a heated silicon carbide ``microtubular reactor", with products monitored by both photoionization mass spectrometry and matrix-isolation Fourier transform infrared spectroscopy. A well-known, and observed, route of decomposition occurs when the weakest C-C bond is broken; this process leads to methyl and formyl radicals. In addition to this, we find evidence for two additional channels: CH_3CHO + Δ → H_2CCO (ketene) and CH_3CHO + Δ → C_2H_2 (acetylene), reactions that also generate molecular hydrogen and water, respectively. This talk focuses on the last pathway, which proceeds via vinyl alcohol. Evidence is presented that the high temperature unimolecular dehydration of vinyl alcohol proceeds by two mechanisms; one of these is a (1,2) elimination that directly yields acetylene, and the other is a (1,1) elimination that necessarily accesses the vinylidene isomer of C_2H_2 as an intermediate.

  17. Computer modeling of cool flames and ignition of acetaldehyde

    SciTech Connect

    Cavanagh, J.; Cox, R.A. ); Olson, G. )

    1990-10-01

    A detailed mechanism for the oxidation of acetaldehyde at temperatures between 500-1000 K has been assembled using 77 elementary reactions involving 32 reactant, product, and intermediate species. Rate coefficients were taken from recent critical evaluations of experimental data. Where experimental measurements were not available, the rate parameters were estimated from the body of currently available kinetics information. The mechanism was shown to predict correctly the rates and products observed in CH{sub 3}CHO oxidation studies in a low-pressure in a stirred flow reactor and at high pressure in a rapid compression machine. The oscillatory phenomena in the flow system and the two-stage ignition observed at high pressure were satisfactorily described by the mechanism. It is shown that cool flames are caused by degenerate branching mainly by peracetic acid and that hydrogen peroxide promotes hot ignition.

  18. Induction of mitochondrial aldehyde dehydrogenase by submergence facilitates oxidation of acetaldehyde during re-aeration in rice.

    PubMed

    Tsuji, Hiroyuki; Meguro, Naoki; Suzuki, Yasuhiro; Tsutsumi, Nobuhiro; Hirai, Atsushi; Nakazono, Mikio

    2003-07-10

    Post-hypoxic injuries in plants are primarily caused by bursts of reactive oxygen species and acetaldehyde. In agreement with previous studies, we found accumulations of acetaldehyde in rice during re-aeration following submergence. During re-aeration, acetaldehyde-oxidizing aldehyde dehydrogenase (ALDH) activity increased, thereby causing the acetaldehyde content to decrease in rice. Interestingly, re-aerated rice plants showed an intense mitochondrial ALDH2a protein induction, even though ALDH2a mRNA was submergence induced and declined upon re-aeration. This suggests that rice ALDH2a mRNA is accumulated in order to quickly metabolize acetaldehyde that is produced upon re-aeration.

  19. Daidzin suppresses ethanol consumption by Syrian golden hamsters without blocking acetaldehyde metabolism.

    PubMed

    Keung, W M; Lazo, O; Kunze, L; Vallee, B L

    1995-09-12

    Daidzin is a potent, selective, and reversible inhibitor of human mitochondrial aldehyde dehydrogenase (ALDH) that suppresses free-choice ethanol intake by Syrian golden hamsters. Other ALDH inhibitors, such as disulfiram (Antabuse) and calcium citrate carbimide (Temposil), have also been shown to suppress ethanol intake of laboratory animals and are thought to act by inhibiting the metabolism of acetaldehyde produced from ingested ethanol. To determine whether or not daidzin inhibits acetaldehyde metabolism in vivo, plasma acetaldehyde in daidzin-treated hamsters was measured after the administration of a test dose of ethanol. Daidzin treatment (150 mg/kg per day i.p. for 6 days) significantly suppresses (> 70%) hamster ethanol intake but does not affect overall acetaldehyde metabolism. In contrast, after administration of the same ethanol dose, plasma acetaldehyde concentration in disulfiram-treated hamsters reaches 0.9 mM, 70 times higher than that of the control. In vitro, daidzin suppresses hamster liver mitochondria-catalyzed acetaldehyde oxidation very potently with an IC50 value of 0.4 microM, which is substantially lower than the daidzin concentration (70 microM) found in the liver mitochondria of daidzin-treated hamsters. These results indicate that (i) the action of daidzin differs from that proposed for the classic, broad-acting ALDH inhibitors (e.g., disulfiram), and (ii) the daidzin-sensitive mitochondrial ALDH is not the one and only enzyme that is essential for acetaldehyde metabolism in golden hamsters.

  20. The effects of acetaldehyde and acrolein on muscle catabolism in C2 myotubes.

    PubMed

    Rom, Oren; Kaisari, Sharon; Aizenbud, Dror; Reznick, Abraham Z

    2013-12-01

    The toxic aldehydes acetaldehyde and acrolein were previously suggested to damage skeletal muscle. Several conditions in which exposure to acetaldehyde and acrolein is increased were associated with muscle wasting and dysfunction. These include alcoholic myopathy, renal failure, oxidative stress, and inflammation. A main exogenous source of both acetaldehyde and acrolein is cigarette smoking, which was previously associated with increased muscle catabolism. Recently, we have shown that exposure of skeletal myotubes to cigarette smoke stimulated muscle catabolism via increased oxidative stress, activation of p38 MAPK, and upregulation of muscle-specific E3 ubiquitin ligases. In this study, we aimed to investigate the effects of acetaldehyde and acrolein on catabolism of skeletal muscle. Skeletal myotubes differentiated from the C2 myoblast cell line were exposed to acetaldehyde or acrolein and their effects on signaling pathways related to muscle catabolism were studied. Exposure of myotubes to acetaldehyde did not promote muscle catabolism. However, exposure to acrolein caused increased generation of free radicals, activation of p38 MAPK, upregulation of the muscle-specific E3 ligases atrogin-1 and MuRF1, degradation of myosin heavy chain, and atrophy of myotubes. Inhibition of p38 MAPK by SB203580 abolished acrolein-induced muscle catabolism. Our findings demonstrate that acrolein but not acetaldehyde activates a signaling cascade resulting in muscle catabolism in skeletal myotubes. Although within the limitations of an in vitro study, these findings indicate that acrolein may promote muscle wasting in conditions of increased exposure to this aldehyde.

  1. An Acetone Nanosensor For Non-invasive Diabetes Detection

    NASA Astrophysics Data System (ADS)

    Wang, L.; Yun, X.; Stanacevic, M.; Gouma, P. I.

    2009-05-01

    Diabetes is a most common disease worldwide. Acetone in exhaled breath is a known biomarker of Type- 1 diabetes. An exhaled breath analyzer has been developed with the potential to diagnose diabetes as a non-invasive alternative of the currently used blood-based diagnostics. This device utilizes a chemiresistor based on ferroelectric tungsten oxide nanoparticles and detects acetone selectively in breath-simulated media. Real-time monitoring of the acetone concentration is feasible, potentially making this detector a revolutionary, non- invasive, diabetes diagnostic tool.

  2. Role of apoptotic hepatocytes in HCV dissemination: regulation by acetaldehyde.

    PubMed

    Ganesan, Murali; Natarajan, Sathish Kumar; Zhang, Jinjin; Mott, Justin L; Poluektova, Larisa I; McVicker, Benita L; Kharbanda, Kusum K; Tuma, Dean J; Osna, Natalia A

    2016-06-01

    Alcohol consumption exacerbates hepatitis C virus (HCV) pathogenesis and promotes disease progression, although the mechanisms are not quite clear. We have previously observed that acetaldehyde (Ach) continuously produced by the acetaldehyde-generating system (AGS), temporarily enhanced HCV RNA levels, followed by a decrease to normal or lower levels, which corresponded to apoptosis induction. Here, we studied whether Ach-induced apoptosis caused depletion of HCV-infected cells and what role apoptotic bodies (AB) play in HCV-alcohol crosstalk. In liver cells exposed to AGS, we observed the induction of miR-122 and miR-34a. As miR-34a has been associated with apoptotic signaling and miR-122 with HCV replication, these findings may suggest that cells with intensive viral replication undergo apoptosis. Furthermore, when AGS-induced apoptosis was blocked by a pan-caspase inhibitor, the expression of HCV RNA was not changed. AB from HCV-infected cells contained HCV core protein and the assembled HCV particle that infect intact hepatocytes, thereby promoting the spread of infection. In addition, AB are captured by macrophages to switch their cytokine profile to the proinflammatory one. Macrophages exposed to HCV(+) AB expressed more IL-1β, IL-18, IL-6, and IL-10 mRNAs compared with those exposed to HCV(-) AB. The generation of AB from AGS-treated HCV-infected cells even enhanced the induction of aforementioned cytokines. We conclude that HCV and alcohol metabolites trigger the formation of AB containing HCV particles. The consequent spread of HCV to neighboring hepatocytes via infected AB, as well as the induction of liver inflammation by AB-mediated macrophage activation potentially exacerbate the HCV infection course by alcohol and worsen disease progression.

  3. ALDH2 modulates autophagy flux to regulate acetaldehyde-mediated toxicity thresholds

    PubMed Central

    Tanaka, Koji; Whelan, Kelly A; Chandramouleeswaran, Prasanna M; Kagawa, Shingo; Rustgi, Sabrina L; Noguchi, Chiaki; Guha, Manti; Srinivasan, Satish; Amanuma, Yusuke; Ohashi, Shinya; Muto, Manabu; Klein-Szanto, Andres J; Noguchi, Eishi; Avadhani, Narayan G; Nakagawa, Hiroshi

    2016-01-01

    A polymorphic mutation in the acetaldehyde dehydrogenase 2 (ALDH2) gene has been epidemiologically linked to the high susceptibility to esophageal carcinogenesis for individuals with alcohol use disorders. Mice subjected to alcohol drinking show increased oxidative stress and DNA adduct formation in esophageal epithelia where Aldh2 loss augments alcohol-induced genotoxic effects; however, it remains elusive as to how esophageal epithelial cells with dysfunctional Aldh2 cope with oxidative stress related to alcohol metabolism. Here, we investigated the role of autophagy in murine esophageal epithelial cells (keratinocytes) exposed to ethanol and acetaldehyde. We find that ethanol and acetaldehyde trigger oxidative stress via mitochondrial superoxide in esophageal keratinocytes. Aldh2-deficient cells appeared to be highly susceptible to ethanol- or acetaldehyde-mediated toxicity. Alcohol dehydrogenase-mediated acetaldehyde production was implicated in ethanol-induced cell injury in Aldh2 deficient cells as ethanol-induced oxidative stress and cell death was partially inhibited by 4-methylpyrazole. Acetaldehyde activated autophagy flux in esophageal keratinocytes where Aldh2 deficiency increased dependence on autophagy to cope with ethanol-induced acetaldehyde-mediated oxidative stress. Pharmacological inhibition of autophagy flux by chloroquine stabilized p62/SQSTM1, and increased basal and acetaldehyde-mediate oxidative stress in Aldh2 deficient cells as documented in monolayer culture as well as single-cell derived three-dimensional esophageal organoids, recapitulating a physiological esophageal epithelial proliferation-differentiation gradient. Our innovative approach indicates, for the first time, that autophagy may provide cytoprotection to esophageal epithelial cells responding to oxidative stress that is induced by ethanol and its major metabolite acetaldehyde. Defining autophagymediated cytoprotection against alcohol-induced genotoxicity in the context of

  4. A single sip of a strong alcoholic beverage causes exposure to carcinogenic concentrations of acetaldehyde in the oral cavity.

    PubMed

    Linderborg, Klas; Salaspuro, Mikko; Väkeväinen, Satu

    2011-09-01

    The aim of this study was to explore oral exposure to carcinogenic (group 1) acetaldehyde after single sips of strong alcoholic beverages containing no or high concentrations of acetaldehyde. Eight volunteers tasted 5 ml of ethanol diluted to 40 vol.% with no acetaldehyde and 40 vol.% calvados containing 2400 μM acetaldehyde. Salivary acetaldehyde and ethanol concentrations were measured by gas chromatography. The protocol was repeated after ingestion of ethanol (0.5 g/kg body weight). Salivary acetaldehyde concentration was significantly higher after sipping calvados than after sipping ethanol at 30s both with (215 vs. 128 μmol/l, p<0.05) and without (258 vs. 89 μmol/l, p<0.05) alcohol ingestion. From 2 min onwards there were no significant differences in the decreasing salivary acetaldehyde concentration, which remained above the level of carcinogenicity still at 10 min. The systemic alcohol distribution from blood to saliva had no additional effect on salivary acetaldehyde after sipping of the alcoholic beverages. Carcinogenic concentrations of acetaldehyde are produced from ethanol in the oral cavity instantly after a small sip of strong alcoholic beverage, and the exposure continues for at least 10 min. Acetaldehyde present in the beverage has a short-term effect on total acetaldehyde exposure.

  5. Acetaldehyde stimulation of net gluconeogenic carbon movement from applied malic acid in tomato fruit pericarp tissue

    SciTech Connect

    Halinska, A.; Frenkel, C. )

    1991-03-01

    Applied acetaldehyde is known to lead to sugar accumulation in fruit including tomatoes (Lycopersicon esculentum) presumably due to stimulation of gluconeogenesis. This conjecture was examined using tomato fruit pericarp discs as a test system and applied l-(U-{sup 14}C)malic acid as the source for gluconeogenic carbon mobilization. Results indicate that malic and perhaps other organic acids are carbon sources for gluconeogenesis occurring normally in ripening tomatoes. The process is stimulated by acetaldehyde apparently by attenuating the fructose-2,6-biphosphate levels. The mode of the acetaldehyde regulation of fructose-2,6-biphosphate metabolism awaits clarification.

  6. Improvement of visible light photocatalytic acetaldehyde decomposition of bismuth vanadate/silica nanocomposites by cocatalyst loading.

    PubMed

    Murakami, Naoya; Takebe, Naohiro; Tsubota, Toshiki; Ohno, Teruhisa

    2012-04-15

    Photocatalytic activity of bismuth vanadate (BiVO(4)) for acetaldehyde decomposition under visible light irradiation was improved by inclusion of a nanocomposition of silica as an adsorbent material and loading of platinum (Pt) or trivalent iron ion (Fe(3+)) as reduction cocatalysts. Addition of silica enhanced photocatalytic activity due to improvement of adsorption ability, but total decomposition of acetaldehyde was not observed within 24h of visible light irradiation. For further improvement of photocatalytic activity, BiVO(4) with an optimized amount of silica composition were modified with Pt or Fe(3+). Photodeposition of Pt greatly increased photocatalytic activity, and acetaldehyde was totally decomposed within 24h of visible light irradiation.

  7. Ethanol-induced myocardial ischemia: close relation between blood acetaldehyde level and myocardial ischemia.

    PubMed

    Ando, H; Abe, H; Hisanou, R

    1993-05-01

    A patient with vasospastic angina who developed myocardial ischemia following ethanol ingestion but not after exercise was described. Myocardial ischemia was evidenced by electrocardiograms (ECGs) and thallium-201 scintigrams. The blood acetaldehyde level after ethanol ingestion was abnormally high. The time course and severity of myocardial ischemia coincided with those of the blood ethanol and acetaldehyde level. Coronary arteriography showed ergonovine maleate-induced coronary vasospasm at the left anterior descending coronary artery. ECG changes similar to those induced by ethanol ingestion were observed at the same time. These findings suggest that the high blood acetaldehyde level might be responsible for the development of coronary vasospasm and myocardial ischemia in this patient.

  8. Synergistic Interaction of Methanol Extract from Canarium odontophyllum Miq. Leaf in Combination with Oxacillin against Methicillin-Resistant Staphylococcus aureus (MRSA) ATCC 33591

    PubMed Central

    Sandra, Vimashiinee

    2016-01-01

    Canarium odontophyllum (CO) Miq. has been considered as one of the most sought-after plant species in Sarawak, Malaysia, due to its nutritional and pharmacological benefits. This study aimed to evaluate the pharmacodynamic interaction of crude methanol and acetone extracts from CO leaves in combination with oxacillin, vancomycin, and linezolid, respectively, against MRSA ATCC 33591 as preliminary study has reported its potential antistaphylococcal activity. The broth microdilution assay revealed that both methanol and acetone extracts were bactericidal with Minimum Inhibitory Concentration (MIC) of 312.5 μg/mL and 156.25 μg/mL and Minimum Bactericidal Concentration (MBC) of 625 μg/mL and 312.5 μg/mL, respectively. Fractional Inhibitory Concentration (FIC) indices were obtained via the chequerboard dilution assay where methanol extract-oxacillin, acetone extract-oxacillin, methanol extract-linezolid, and acetone extract-linezolid combinations exhibited synergism (FIC index ≤ 0.5). The synergistic action of the methanol extract-oxacillin combination was verified by time-kill analysis where bactericidal effect was observed at concentration of 1/8 × MIC of both compounds at 9.6 h compared to oxacillin alone. As such, these findings postulated that both extracts exert their anti-MRSA mechanism of action similar to that of vancomycin and provide evidence that the leaves of C. odontophyllum have the potential to be developed into antistaphylococcal agents. PMID:27006659

  9. Toward Portable Breath Acetone Analysis for Diabetes Detection

    PubMed Central

    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

  10. Acetone sensor based on zinc oxide hexagonal tubes

    SciTech Connect

    Hastir, Anita Singh, Onkar Anand, Kanika Singh, Ravi Chand

    2014-04-24

    In this work hexagonal tubes of zinc oxide have been synthesized by co-precipitation method. For structural, morphological, elemental and optical analysis synthesized powders were characterized by using x-ray diffraction, field emission scanning microscope, EDX, UV-visible and FTIR techniques. For acetone sensing thick films of zinc oxide have been deposited on alumina substrate. The fabricated sensors exhibited maximum sensing response towards acetone vapour at an optimum operating temperature of 400°C.

  11. Methanol from coal

    NASA Technical Reports Server (NTRS)

    Miller, D. R.

    1978-01-01

    Economic feasibility of methanol or methyl fuel produced from coal using existing technology is discussed. Other factors considered include environmental, safety, toxicity, transportation, so storage, ease of burning, and retrofitting of present boilers. Demonstrations of its uses as a boiler fuel and as a turbine fuel are cited.

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

    PubMed

    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.

  13. The effects of acetaldehyde on nicotine-induced transmitter levels in young and adult brain areas.

    PubMed

    Sershen, H; Shearman, E; Fallon, S; Chakraborty, G; Smiley, J; Lajtha, A

    2009-08-14

    The aim of the present study was to examine the effect of acetaldehyde administration on neurotransmitters in the presence of nicotine in brain areas associated with cognition and reward. We assayed these effects via microdialysis in conscious freely moving male Sprague-Dawley rats. It was reported that low doses of acetaldehyde enhance nicotine self-administration in young, but not in adult rats. Since nicotine enhances reward and learning, while acetaldehyde is reported to enhance reward but inhibit learning, acetaldehyde thus would be likely to stimulate reward without stimulating learning. We hoped that examining the effects of acetaldehyde (on nicotine-mediated neurotransmitter changes) would help to distinguish reward mechanisms less influenced by learning mechanisms. To avoid the aversive effect of acetaldehyde, we used a low dose of acetaldehyde (0.16 mg/kg) administered after nicotine (0.3mg/kg). We analyzed six brain regions: nucleus accumbens shell (NAccS), ventral tegmental area (VTA), ventral and dorsal hippocampus (VH and DH), and prefrontal and medial temporal cortex (PFC, MTC), assaying dopamine (DA), norepinephrine (NE) and serotonin (5-HT) and their metabolites in young and adult rats. The effect of acetaldehyde on nicotine-induced transmitter changes was different in young as compared to adult rat brain regions. In the NAccS of the young, DA was not affected while NE and 5-HT were increased. In the adult in this area DA and NE were decreased, while 5-HT was not altered. In other areas also in many cases, the effect of acetaldehyde in the young and in the adult was different. As an example, acetaldehyde administration increased NE in young and decreased NE in adult DH. We found stimulation of nicotine-induced changes by acetaldehyde in seven instances - six of these were observed in areas in young brain, NE in four areas (NAccS, DH, VH, and PFC), and 5-HT in two (NAccS and DH). Only one increase was noted in adult brain (DA in VTA). Inhibition of

  14. Ethanol-induced injuries to carrot cells : the role of acetaldehyde.

    PubMed

    Perata, P; Alpi, A

    1991-03-01

    Carrot (Daucus carota L.) cell cultures show high sensitivity to ethanol since both unorganized cell growth and somatic embryogenesis are strongly inhibited by ethanol at relatively low concentrations (10-20 millimolar). The role of acetaldehyde on ethanol-induced injuries to suspension cultured carrot cells was evaluated. When ethanol oxidation to acetaldehyde is prevented by adding an alcohol-dehydrogenase (EC 1.1.1.1) inhibitor (4-methylpyrazole) to the culture medium, no ethanol toxicity was observed, even if ethanol was present at relatively high concentrations (40-80 millimolar). Data are also presented on the effects of exogenously added acetaldehyde on both carrot cell growth and somatic embryogenesis. We conclude that the observed toxic effects of ethanol cannot be ascribed to ethanol per se but to acetaldehyde.

  15. One-pot lipase-catalyzed aldol reaction combination of in situ formed acetaldehyde.

    PubMed

    Wang, Na; Zhang, Wei; Zhou, Long-Hua; Deng, Qing-Feng; Xie, Zong-Bo; Yu, Xiao-Qi

    2013-12-01

    A facile tandem route to α,β-unsaturated aldehydes was developed by combining the two catalytic activities of the same enzyme in a one-pot strategy for the aldol reaction and in situ generation of acetaldehyde. Lipase from Mucor miehei was found to have conventional and promiscuous catalytic activities for the hydrolysis of vinyl acetate and aldol condensation with in situ formed acetaldehyde. The first reaction continuously provided material for the second reaction, which effectively reduced the volatilization loss, oxidation, and polymerization of acetaldehyde, as well as avoided a negative effect on the enzyme of excessive amounts of acetaldehyde. After optimizing the process, several substrates participated in the reaction and provided the target products in moderate to high yields using this single lipase-catalyzed one-pot biotransformation.

  16. Acetaldehyde Adsorption and Reaction onCeO2(100) Thin Films

    SciTech Connect

    Mullins, David R; Albrecht, Peter M

    2013-01-01

    This study reports and compares the adsorption and dissociation of acetaldehyde on oxidized and reduced CeOX(100) thin films. Acetaldehyde reacts and decomposes on fully oxidized CeO2(100) whereas it desorbs molecularly at low temperature on CeO2(111). The primary products are CO, CO2 and water along with trace amounts of crotonaldehyde and acetylene. The acetaldehyde adsorbs as the 2-acetaldehyde species, dioxyethylene. Decomposition proceeds by dehydrogenation through acetate and enolate intermediates. The reaction pathway is similar on the reduced CeO2-X(100) surface however the inability to react with surface O on the reduced surface results in H2 rather than H2O desorption and C is left on the surface rather than producing CO and CO2. C-O bond cleavage in the enolate intermediate followed by reaction with surface H results in ethylene desorption.

  17. Rosiglitazone protects human neuroblastoma SH-SY5Y cells against acetaldehyde-induced cytotoxicity

    SciTech Connect

    Jung, Tae Woo; Lee, Ji Young; Shim, Wan Sub; Kang, Eun Seok; Kim, Soo Kyung; Ahn, Chul Woo; Lee, Hyun Chul; Cha, Bong Soo . E-mail: bscha@yumc.yonsei.ac.kr

    2006-02-03

    Acetaldehyde, an inhibitor of mitochondrial function, has been widely used as a neurotoxin because it elicits a severe Parkinson's disease-like syndrome with elevation of the intracellular reactive oxygen species level and apoptosis. Rosiglitazone, a peroxisome proliferator-activated receptor-{gamma} agonist, has been known to show various non-hypoglycemic effects, including anti-inflammatory, anti-atherogenic, and anti-apoptotic. In this study, we investigated the protective effects of rosiglitazone on acetaldehyde-induced apoptosis in human neuroblastoma SH-SY5Y cells and attempted to examine its mechanism. Acetaldehyde-induced apoptosis was moderately reversed by rosiglitazone treatment. Our results suggest that the protective effects of rosiglitazone on acetaldehyde-induced apoptosis may be ascribed to ability to induce the expression of anti-oxidant enzymes and to regulate Bcl-2 and Bax expression. These data indicate that rosiglitazone may provide a useful therapeutic strategy for the prevention of progressive neurodegenerative disease such as Parkinson's disease.

  18. Coproduction of acetaldehyde and hydrogen during glucose fermentation by Escherichia coli.

    PubMed

    Zhu, Huilin; Gonzalez, Ramon; Bobik, Thomas A

    2011-09-01

    Escherichia coli K-12 strain MG1655 was engineered to coproduce acetaldehyde and hydrogen during glucose fermentation by the use of exogenous acetyl-coenzyme A (acetyl-CoA) reductase (for the conversion of acetyl-CoA to acetaldehyde) and the native formate hydrogen lyase. A putative acetaldehyde dehydrogenase/acetyl-CoA reductase from Salmonella enterica (SeEutE) was cloned, produced at high levels, and purified by nickel affinity chromatography. In vitro assays showed that this enzyme had both acetaldehyde dehydrogenase activity (68.07 ± 1.63 μmol min(-1) mg(-1)) and the desired acetyl-CoA reductase activity (49.23 ± 2.88 μmol min(-1) mg(-1)). The eutE gene was engineered into an E. coli mutant lacking native glucose fermentation pathways (ΔadhE, ΔackA-pta, ΔldhA, and ΔfrdC). The engineered strain (ZH88) produced 4.91 ± 0.29 mM acetaldehyde while consuming 11.05 mM glucose but also produced 6.44 ± 0.26 mM ethanol. Studies showed that ethanol was produced by an unknown alcohol dehydrogenase(s) that converted the acetaldehyde produced by SeEutE to ethanol. Allyl alcohol was used to select for mutants with reduced alcohol dehydrogenase activity. Three allyl alcohol-resistant mutants were isolated; all produced more acetaldehyde and less ethanol than ZH88. It was also found that modifying the growth medium by adding 1 g of yeast extract/liter and lowering the pH to 6.0 further increased the coproduction of acetaldehyde and hydrogen. Under optimal conditions, strain ZH136 converted glucose to acetaldehyde and hydrogen in a 1:1 ratio with a specific acetaldehyde production rate of 0.68 ± 0.20 g h(-1) g(-1) dry cell weight and at 86% of the maximum theoretical yield. This specific production rate is the highest reported thus far and is promising for industrial application. The possibility of a more efficient "no-distill" ethanol fermentation procedure based on the coproduction of acetaldehyde and hydrogen is discussed.

  19. Coproduction of Acetaldehyde and Hydrogen during Glucose Fermentation by Escherichia coli ▿ †

    PubMed Central

    Zhu, Huilin; Gonzalez, Ramon; Bobik, Thomas A.

    2011-01-01

    Escherichia coli K-12 strain MG1655 was engineered to coproduce acetaldehyde and hydrogen during glucose fermentation by the use of exogenous acetyl-coenzyme A (acetyl-CoA) reductase (for the conversion of acetyl-CoA to acetaldehyde) and the native formate hydrogen lyase. A putative acetaldehyde dehydrogenase/acetyl-CoA reductase from Salmonella enterica (SeEutE) was cloned, produced at high levels, and purified by nickel affinity chromatography. In vitro assays showed that this enzyme had both acetaldehyde dehydrogenase activity (68.07 ± 1.63 μmol min−1 mg−1) and the desired acetyl-CoA reductase activity (49.23 ± 2.88 μmol min−1 mg−1). The eutE gene was engineered into an E. coli mutant lacking native glucose fermentation pathways (ΔadhE, ΔackA-pta, ΔldhA, and ΔfrdC). The engineered strain (ZH88) produced 4.91 ± 0.29 mM acetaldehyde while consuming 11.05 mM glucose but also produced 6.44 ± 0.26 mM ethanol. Studies showed that ethanol was produced by an unknown alcohol dehydrogenase(s) that converted the acetaldehyde produced by SeEutE to ethanol. Allyl alcohol was used to select for mutants with reduced alcohol dehydrogenase activity. Three allyl alcohol-resistant mutants were isolated; all produced more acetaldehyde and less ethanol than ZH88. It was also found that modifying the growth medium by adding 1 g of yeast extract/liter and lowering the pH to 6.0 further increased the coproduction of acetaldehyde and hydrogen. Under optimal conditions, strain ZH136 converted glucose to acetaldehyde and hydrogen in a 1:1 ratio with a specific acetaldehyde production rate of 0.68 ± 0.20 g h−1 g−1 dry cell weight and at 86% of the maximum theoretical yield. This specific production rate is the highest reported thus far and is promising for industrial application. The possibility of a more efficient “no-distill” ethanol fermentation procedure based on the coproduction of acetaldehyde and hydrogen is discussed. PMID:21803884

  20. Effects of acetaldehyde on hepatocyte glycerol uptake and cell size: implication of Aquaporin 9

    PubMed Central

    Potter, James J.; Koteish, Ayman; Hamilton, James; Liu, Xiaopu; Liu, Kun; Agre, Peter; Mezey, Esteban

    2010-01-01

    Background The effects of ethanol and acetaldehyde on uptake of glycerol and on cell size of hepatocytes and a role Aquaporin 9 (AQP9), a glycerol transport channel, were evaluated. Methods The studies were done in primary rat and mouse hepatocytes. The uptake of [14C] glycerol was determined with hepatocytes in suspension. For determination of cell size, rat hepatocytes on coated dishes were incubated with a lipophilic fluorochrome that is incorporated into the cell membrane and examined by confocal microscopy. A three dimensional z scan of the cell was performed, and the middle slice of the z scan was used for area measurements. Results Acute exposure to acetaldehyde, but not to ethanol, causes a rapid increase in the uptake of glycerol and an increase in hepatocyte size, which was inhibited by HgCl2, an inhibitor of aquaporins. This was not observed in hepatocytes from AQP9 knockout mice, nor observed by direct application of acetaldehyde to AQP9 expressed in Xenopus Laevis oocytes. Prolonged 24 hours exposure to either acetaldehyde or ethanol did not result in an increase in glycerol uptake by rat hepatocytes. Acetaldehyde decreased AQP9 mRNA and AQP9 protein, while ethanol decreased AQP9 mRNA but not AQP9 protein. Ethanol, but not acetaldehyde, increased the activities of glycerol kinase and phosphoenolpyruvate carboxykinase. Conclusions The acute effects of acetaldehyde, while mediated by AQP9, are probably influenced by binding of acetaldehyde to hepatocyte membranes and changes in cell permeability. The effects of ethanol in enhancing glucose kinase, and phosphoenolpyruvate carboxykinase leading to increased formation of glycerol-3-phosphate most likely contribute to alcoholic fatty liver. PMID:21294757

  1. Gene cloning, expression, and characterization of a novel acetaldehyde dehydrogenase from Issatchenkia terricola strain XJ-2.

    PubMed

    Yao, Zhengying; Zhang, Chong; Lu, Fengxia; Bie, Xiaomei; Lu, Zhaoxin

    2012-03-01

    Acetaldehyde is a known mutagen and carcinogen. Active aldehyde dehydrogenase (ALDH) represents an important mechanism for acetaldehyde detoxification. A yeast strain XJ-2 isolated from grape samples was found to produce acetaldehyde dehydrogenase with a high activity of 2.28 U/mg and identified as Issatchenkia terricola. The enzyme activity was validated by oxidizing acetaldehyde to acetate with NAD(+) as coenzyme based on the headspace gas chromatography analysis. A novel acetaldehyde dehydrogenase gene (ist-ALD) was cloned by combining SiteFinding-PCR and self-formed adaptor PCR. The ist-ALD gene comprised an open reading frame of 1,578 bp and encoded a protein of 525 amino acids. The predicted protein of ist-ALD showed the highest identity (73%) to ALDH from Pichia angusta. The ist-ALD gene was expressed in Escherichia coli, and the gene product (ist-ALDH) presented a productivity of 442.3 U/mL cells. The purified ist-ALDH was a homotetramer of 232 kDa consisting of 57 kDa-subunit according to the SDS-PAGE and native PAGE analysis. Ist-ALDH exhibited the optimal activity at pH 9.0 and 40°C, respectively. The activity of ist-ALDH was enhanced by K(+), NH4(+), dithiothreitol, and 2-mercaptoethanol but strongly inhibited by Ag(+), Hg(2+), Cu(2+), and phenylmethyl sulfonylfluoride. In the presence of NAD(+), ist-ALDH could oxidize many aliphatic, aromatic, and heterocyclic aldehydes, preferably acetaldehyde. Kinetic study revealed that ist-ALDH had a k (cat) value of 27.71/s and a k (cat)/K (m) value of 26.80 × 10(3)/(mol s) on acetaldehyde, demonstrating ist-ALDH, a catalytically active enzyme by comparing with other ALDHs. These studies indicated that ist-ALDH was a potential enzymatic product for acetaldehyde detoxification.

  2. Acetaldehyde: A Small Organic Molecule with Big Impact on Organocatalytic Reactions.

    PubMed

    Kim, Sun Min; Kim, Young Sug; Kim, Dong Wan; Rios, Ramon; Yang, Jung Woon

    2016-02-12

    Stereocontrolled formation of carbon-carbon and carbon-heteroatom bonds through asymmetric organocatalysis is a formidable challenge for modern synthetic chemistry. Among the most significant contributions to this field are the transformations involving the use of acetaldehyde or α-heteroatom-substituted acetaldehydes for constructing valuable synthons (e.g., amino acid derivatives and hydroxycarbonyl). In this Minireview, versatile (enantioselective) organocatalytic transformations are discussed.

  3. Kinetic involvement of acetaldehyde substrate inhibition on the rate equation of yeast aldehyde dehydrogenase.

    PubMed

    Eggert, Matthew W; Byrne, Mark E; Chambers, Robert P

    2012-10-01

    In order to evaluate the effectiveness of aldehyde dehydrogenase (ALDH) from Saccharomyces cerevisiae as a catalyst for the conversion of acetaldehyde into its physiologically and biologically less toxic acetate, the kinetics over broad concentrations were studied to develop a suitable kinetic rate expression. Even with literature accounts of the binding complexations, the yeast ALDH currently lacks a quantitative kinetic rate expression accounting for simultaneous inhibition parameters under higher acetaldehyde concentrations. Both substrate acetaldehyde and product NADH were observed as individual sources of inhibition with the combined effect of a ternary complex of acetaldehyde and the coenzyme leading to experimental rates as little as an eighth of the expected activity. Furthermore, the onset and strength of inhibition from each component were directly affected by the concentration of the co-substrate NAD. While acetaldehyde inhibition of ALDH is initiated below concentrations of 0.05 mM in the presence of 0.5 mM NAD or less, the acetaldehyde inhibition onset shifts to 0.2 mM with as much as 1.6 mM NAD. The convenience of the statistical software package JMP allowed for effective determination of experimental kinetic constants and simplification to a suitable rate expression: v = Vmax(AB)/(K(ia)K(b) + K(b)A + K(a)B + AB + B(2)/K(I-Ald) + B(2)Q/K(I-Ald-NADH) + BQ/K(I-NADH)) where the last three terms represent the inhibition complex terms for acetaldehyde, acetaldehyde-NADH, and NADH, respectively. The corresponding values of K(I-Ald), K(I-Ald-NADH), and K(I-NADH) for yeast ALDH are 2.55, 0.0269, and 0.162 mM at 22 °C and pH 7.8.

  4. The Development of Methanol Industry and Methanol Fuel in China

    SciTech Connect

    Li, W.Y.; Li, Z.; Xie, K.C.

    2009-07-01

    In 2007, China firmly established itself as the driver of the global methanol industry. The country became the world's largest methanol producer and consumer. The development of the methanol industry and methanol fuel in China is reviewed in this article. China is rich in coal but is short on oil and natural gas; unfortunately, transportation development will need more and more oil to provide the fuel. Methanol is becoming a dominant alternative fuel. China is showing the rest of the world how cleaner transportation fuels can be made from coal.

  5. Malondialdehyde-acetaldehyde-adducted protein inhalation causes lung injury.

    PubMed

    Wyatt, Todd A; Kharbanda, Kusum K; McCaskill, Michael L; Tuma, Dean J; Yanov, Daniel; DeVasure, Jane; Sisson, Joseph H

    2012-02-01

    In addition to cigarette smoking, alcohol exposure is also associated with increased lung infections and decreased mucociliary clearance. However, little research has been conducted on the combination effects of alcohol and cigarette smoke on lungs. Previously, we have demonstrated in a mouse model that the combination of cigarette smoke and alcohol exposure results in the formation of a very stable hybrid malondialdehyde-acetaldehyde (MAA)-adducted protein in the lung. In in vitro studies, MAA-adducted protein stimulates bronchial epithelial cell interleukin-8 (IL-8) via the activation of protein kinase C epsilon (PKCɛ). We hypothesized that direct MAA-adducted protein exposure in the lungs would mimic such a combination of smoke and alcohol exposure leading to airway inflammation. To test this hypothesis, C57BL/6J female mice were intranasally instilled with either saline, 30μL of 50μg/mL bovine serum albumin (BSA)-MAA, or unadducted BSA for up to 3 weeks. Likewise, human lung surfactant proteins A and D (SPA and SPD) were purified from human pulmonary proteinosis lung lavage fluid and successfully MAA-adducted in vitro. Similar to BSA-MAA, SPD-MAA was instilled into mouse lungs. Lungs were necropsied and assayed for histopathology, PKCɛ activation, and lung lavage chemokines. In control mice instilled with saline, normal lungs had few inflammatory cells. No significant effects were observed in unadducted BSA- or SPD-instilled mice. However, when mice were instilled with BSA-MAA or SPD-MAA for 3 weeks, a significant peribronchiolar localization of inflammatory cells was observed. Both BSA-MAA and SPD-MAA stimulated increased lung lavage neutrophils and caused a significant elevation in the chemokine, keratinocyte chemokine, which is a functional homologue to human IL-8. Likewise, MAA-adducted protein stimulated the activation of airway and lung slice PKCɛ. These data support that the MAA-adducted protein induces a proinflammatory response in the lungs and

  6. Acetaldehyde disrupts tight junctions in Caco-2 cell monolayers by a protein phosphatase 2A-dependent mechanism.

    PubMed

    Dunagan, Mitzi; Chaudhry, Kamaljit; Samak, Geetha; Rao, R K

    2012-12-15

    Acetaldehyde is accumulated at high concentrations in the colonic lumen following ethanol administration. Previous studies demonstrated that acetaldehyde disrupts intestinal epithelial tight junctions and increases paracellular permeability. In the present study, we investigated the role of PP2A in the acetaldehyde-induced disruption of intestinal epithelial tight junctions. Caco-2 cell monolayers were exposed to 200-600 μM acetaldehyde for varying times, and the epithelial barrier function was evaluated by measuring transepithelial electrical resistance and inulin permeability. Acetaldehyde treatment resulted in a time-dependent increase in inulin permeability and redistribution of occludin and ZO-1 from the intercellular junctions. Treatment of cells with fostriecin (a PP2A-selective inhibitor) or knockdown of PP2A by siRNA blocked acetaldehyde-induced increase in inulin permeability and redistribution of occludin and ZO-1. The effects of fostriecin and acetaldehyde were confirmed in mouse intestine ex vivo. Acetaldehyde-induced tight junction disruption and barrier dysfunction were also attenuated by a PP2A-specific inhibitory peptide, TPDYFL. Coimmunoprecipitation studies showed that acetaldehyde increased the interaction of PP2A with occludin and induced dephosphorylation of occludin on threonine residues. Fostriecin and TPDYFL significantly reduced acetaldehyde-induced threonine dephosphorylation of occludin. Acetaldehyde failed to change the level of the methylated form of PP2A-C subunit. However, genistein (a tyrosine kinase inhibitor) blocked acetaldehyde-induced association of PP2A with occludin and threonine dephosphorylation of occludin. These results demonstrate that acetaldehyde-induced disruption of tight junctions is mediated by PP2A translocation to tight junctions and dephosphorylation of occludin on threonine residues.

  7. Protective Effect of Sodium Ferulate on Acetaldehyde-Treated Precision-Cut Rat Liver Slices

    PubMed Central

    Guo, Yu; Wu, Xiao-Qian; Zhang, Chun; Liao, Zhang-Xiu; Wu, Yong

    2012-01-01

    Abstract Activated hepatic stellate cells (HSCs) play a key role in hepatic fibrogenesis, and inhibition of HSC activation may prevent liver fibrosis. Acetaldehyde, the most deleterious metabolite of alcohol, triggers HSC activation in alcoholic liver injury. In the present study, we investigated the protective effect of sodium ferulate (SF), a sodium salt of ferulic acid that is rich in fruits and vegetables, on acetaldehyde-stimulated HSC activation using precision-cut liver slices (PCLSs). Rat PCLSs were co-incubated with 350 μM acetaldehyde and different concentrations of SF. Hepatotoxicity was assessed by measuring enzyme leakage and malondialdehyde content in tissue. α-Smooth muscle actin, transforming growth factor-β1, and hydroxyproline were determined to assess the activation of HSCs. In addition, matrix metalloproteinase (MMP)-1 and the tissue inhibitor of metalloproteinase (TIMP-1) were determined to evaluate collagen degradation. SF prominently prevented the enzyme leakage in acetaldehyde-treated slices and also inhibited HSC activation and collagen production stimulated by acetaldehyde. In addition, SF increased MMP-1 expression and decreased TIMP-1 expression. These results showed that SF protected PCLSs from acetaldehyde-stimulated HSC activation and liver injury, which may be associated with the attenuation of oxidative injury and acceleration of collagen degradation. PMID:22404575

  8. Effect of rinsing with ethanol-containing mouthrinses on the production of salivary acetaldehyde.

    PubMed

    Moazzez, Rebecca; Thompson, Hayley; Palmer, Richard M; Wilson, Ron F; Proctor, Gordon B; Wade, William G

    2011-12-01

    It has been suggested that the use of alcohol-containing mouthrinses could lead to the presence of acetaldehyde in saliva. In this cross-over study, salivary acetaldehyde levels and microbial profiles were determined before and after rinsing with ethanol-containing mouthrinses with essential oils (EO) and cetyl pyridinium chloride (CPC) as the active ingredients, and with 21.6% ethanol and water controls. After rinsing with all ethanol-containing rinses, acetaldehyde was detected in saliva after 30 s but declined to low levels after 5 min. The highest peak levels were seen with the ethanol control (median = 82.9 μM at 2 min) and were significantly higher than those seen at the same time after rinsing with the EO rinse (43.1 μM). There was no correlation between microbial counts or plaque scores and acetaldehyde levels, although dividing the subjects on the basis of a peak acetaldehyde salivary concentration of > 90.8 μM after the ethanol rinse revealed that the high responders were highly significantly more likely to harbour salivary yeasts than were the low responders. Rinsing with ethanol-containing mouthrinses causes a rapid, but transient, increase in salivary acetaldehyde levels.

  9. An original method for producing acetaldehyde and diacetyl by yeast fermentation.

    PubMed

    Rosca, Irina; Petrovici, Anca Roxana; Brebu, Mihai; Stoica, Irina; Minea, Bogdan; Marangoci, Narcisa

    In this study a natural culture medium that mimics the synthetic yeast peptone glucose medium used for yeast fermentations was designed to screen and select yeasts capable of producing high levels of diacetyl and acetaldehyde. The presence of whey powder and sodium citrate in the medium along with manganese and magnesium sulfate enhanced both biomass and aroma development. A total of 52 yeasts strains were cultivated in two different culture media, namely, yeast peptone glucose medium and yeast acetaldehyde-diacetyl medium. The initial screening of the strains was based on the qualitative reaction of the acetaldehyde with Schiff's reagent (violet color) and diacetyl with Brady's reagent (yellow precipitate). The fermented culture media of 10 yeast strains were subsequently analyzed by gas chromatography to quantify the concentration of acetaldehyde and diacetyl synthesized. Total titratable acidity values indicated that a total titratable acidity of 5.5°SH, implying culture medium at basic pH, was more favorable for the acetaldehyde biosynthesis using strain D15 (Candida lipolytica; 96.05mgL(-1) acetaldehyde) while a total titratable acidity value of 7°SH facilitated diacetyl flavor synthesis by strain D38 (Candida globosa; 3.58mgL(-1) diacetyl). Importantly, the results presented here suggest that this can be potentially used in the baking industry.

  10. Carbon isotope analysis of acetaldehyde emitted from leaves following mechanical stress and anoxia.

    PubMed

    Jardine, K; Karl, T; Lerdau, M; Harley, P; Guenther, A; Mak, J E

    2009-07-01

    Although the emission of acetaldehyde from plants into the atmosphere following biotic and abiotic stresses may significantly impact air quality and climate, its metabolic origin(s) remains uncertain. We investigated the pathway(s) responsible for the production of acetaldehyde in plants by studying variations in the stable carbon isotope composition of acetaldehyde emitted during leaf anoxia or following mechanical stress. Under an anoxic environment, C3 leaves produced acetaldehyde during ethanolic fermentation with a similar carbon isotopic composition to C3 bulk biomass. In contrast, the initial emission burst following mechanical wounding was 5-12 per thousand more depleted in (13)C than emissions under anoxia. Due to a large kinetic isotope effect during pyruvate decarboxylation catalysed by pyruvate dehydrogenase, acetyl-CoA and its biosynthetic products such as fatty acids are also depleted in (13)C relative to bulk biomass. It is well known that leaf wounding stimulates the release of large quantities of fatty acids from membranes, as well as the accumulation of reactive oxygen species (ROS). We suggest that, following leaf wounding, acetaldehyde depleted in (13)C is produced from fatty acid peroxidation reactions initiated by the accumulation of ROS. However, a variety of other pathways could also explain our results, including the conversion of acetyl-CoA to acetaldehyde by the esterase activity of aldehyde dehydrogenase.

  11. The total margin of exposure of ethanol and acetaldehyde for heavy drinkers consuming cider or vodka.

    PubMed

    Lachenmeier, Dirk W; Gill, Jan S; Chick, Jonathan; Rehm, Jürgen

    2015-09-01

    Heavy drinkers in Scotland may consume 1600 g ethanol per week. Due to its low price, cider may be preferred over other beverages. Anecdotal evidence has linked cider to specific health hazards beyond other alcoholic beverages. To examine this hypothesis, nine apple and pear cider samples were chemically analysed for constituents and contaminants. None of the products exceeded regulatory or toxicological thresholds, but the regular occurrence of acetaldehyde in cider was detected. To provide a quantitative risk assessment, two collectives of exclusive drinkers of cider and vodka were compared and the intake of acetaldehyde was estimated using probabilistic Monte-Carlo type analysis. The cider consumers were found to ingest more than 200-times the amount of acetaldehyde consumed by vodka consumers. The margins of exposure (MOE) of acetaldehyde were 224 for the cider and over 220,000 for vodka consumers. However, if the effects of ethanol were considered in a cumulative assessment of the combined MOE, the effect of acetaldehyde was minor and the combined MOE for both groups was 0.3. We suggest that alcohol policy priority should be given on reducing ethanol intake by measures such as minimum pricing, rather than to focus on acetaldehyde.

  12. Implications of acetaldehyde-derived DNA adducts for understanding alcohol-related carcinogenesis.

    PubMed

    Balbo, Silvia; Brooks, Philip J

    2015-01-01

    Among various potential mechanisms that could explain alcohol carcinogenicity, the metabolism of ethanol to acetaldehyde represents an obvious possible mechanism, at least in some tissues. The fundamental principle of genotoxic carcinogenesis is the formation of mutagenic DNA adducts in proliferating cells. If not repaired, these adducts can result in mutations during DNA replication, which are passed on to cells during mitosis. Consistent with a genotoxic mechanism, acetaldehyde does react with DNA to form a variety of different types of DNA adducts. In this chapter we will focus more specifically on N2-ethylidene-deoxyguanosine (N2-ethylidene-dG), the major DNA adduct formed from the reaction of acetaldehyde with DNA and specifically highlight recent data on the measurement of this DNA adduct in the human body after alcohol exposure. Because results are of particular biological relevance for alcohol-related cancer of the upper aerodigestive tract (UADT), we will also discuss the histology and cytology of the UADT, with the goal of placing the adduct data in the relevant cellular context for mechanistic interpretation. Furthermore, we will discuss the sources and concentrations of acetaldehyde and ethanol in different cell types during alcohol consumption in humans. Finally, in the last part of the chapter, we will critically evaluate the concept of carcinogenic levels of acetaldehyde, which has been raised in the literature, and discuss how data from acetaldehyde genotoxicity are and can be utilized in physiologically based models to evaluate exposure risk.

  13. Protective role of ALDH2 against acetaldehyde-derived DNA damage in oesophageal squamous epithelium.

    PubMed

    Amanuma, Yusuke; Ohashi, Shinya; Itatani, Yoshiro; Tsurumaki, Mihoko; Matsuda, Shun; Kikuchi, Osamu; Nakai, Yukie; Miyamoto, Shin'ichi; Oyama, Tsunehiro; Kawamoto, Toshihiro; Whelan, Kelly A; Nakagawa, Hiroshi; Chiba, Tsutomu; Matsuda, Tomonari; Muto, Manabu

    2015-09-16

    Acetaldehyde is an ethanol-derived definite carcinogen that causes oesophageal squamous cell carcinoma (ESCC). Aldehyde dehydrogenase 2 (ALDH2) is a key enzyme that eliminates acetaldehyde, and impairment of ALDH2 increases the risk of ESCC. ALDH2 is produced in various tissues including the liver, heart, and kidney, but the generation and functional roles of ALDH2 in the oesophagus remain elusive. Here, we report that ethanol drinking increased ALDH2 production in the oesophagus of wild-type mice. Notably, levels of acetaldehyde-derived DNA damage represented by N(2)-ethylidene-2'-deoxyguanosine were higher in the oesophagus of Aldh2-knockout mice than in wild-type mice upon ethanol consumption. In vitro experiments revealed that acetaldehyde induced ALDH2 production in both mouse and human oesophageal keratinocytes. Furthermore, the N(2)-ethylidene-2'-deoxyguanosine levels increased in both Aldh2-knockout mouse keratinocytes and ALDH2-knockdown human keratinocytes treated with acetaldehyde. Conversely, forced production of ALDH2 sharply diminished the N(2)-ethylidene-2'-deoxyguanosine levels. Our findings provide new insight into the preventive role of oesophageal ALDH2 against acetaldehyde-derived DNA damage.

  14. Adsorption of acetaldehyde on ice as seen from computer simulation and infrared spectroscopy measurements.

    PubMed

    Darvas, Mária; Lasne, Jérôme; Laffon, Carine; Parent, Philippe; Picaud, Sylvain; Jedlovszky, Pál

    2012-03-06

    Detailed investigation of the adsorption of acetaldehyde on I(h) ice is performed under tropospheric conditions by means of grand canonical Monte Carlo computer simulations and compared to infrared spectroscopy measurements. The experimental and simulation results are in a clear accordance with each other. The simulations indicate that the adsorption process follows Langmuir behavior in the entire pressure range of the vapor phase of acetaldehyde. Further, it was found that the adsorption layer is strictly monomolecular, and the adsorbed acetaldehyde molecules are bound to the ice surface by only one hydrogen bond, typically formed with the dangling H atoms at the ice surface, in agreement with the experimental results. Besides this hydrogen bonding, at high surface coverages dipolar attraction between neighboring acetaldehyde molecules also contributes considerably to the energy gain of the adsorption. The acetaldehyde molecules adopt strongly tilted orientations relative to the ice surface, the tilt angle being scattered between 50° and 90° (i.e., perpendicular orientation). The range of the preferred tilt angles narrows, and the preference for perpendicular orientation becomes stronger upon saturation of the adsorption layer. The CH(3) group of the acetaldehyde molecules points as straight away from the ice surface within the constraint imposed by the tilt angle adopted by the molecule as possible. The heat of adsorption at infinitely low coverage is found to be -36 ± 2 kJ/mol from the infrared spectroscopy measurement, which is in excellent agreement with the computer simulation value of -34.1 kJ/mol.

  15. Protective effect of sodium ferulate on acetaldehyde-treated precision-cut rat liver slices.

    PubMed

    Guo, Yu; Wu, Xiao-Qian; Zhang, Chun; Liao, Zhang-Xiu; Wu, Yong; Wang, Hui

    2012-06-01

    Activated hepatic stellate cells (HSCs) play a key role in hepatic fibrogenesis, and inhibition of HSC activation may prevent liver fibrosis. Acetaldehyde, the most deleterious metabolite of alcohol, triggers HSC activation in alcoholic liver injury. In the present study, we investigated the protective effect of sodium ferulate (SF), a sodium salt of ferulic acid that is rich in fruits and vegetables, on acetaldehyde-stimulated HSC activation using precision-cut liver slices (PCLSs). Rat PCLSs were co-incubated with 350 μM acetaldehyde and different concentrations of SF. Hepatotoxicity was assessed by measuring enzyme leakage and malondialdehyde content in tissue. α-Smooth muscle actin, transforming growth factor-β(1), and hydroxyproline were determined to assess the activation of HSCs. In addition, matrix metalloproteinase (MMP)-1 and the tissue inhibitor of metalloproteinase (TIMP-1) were determined to evaluate collagen degradation. SF prominently prevented the enzyme leakage in acetaldehyde-treated slices and also inhibited HSC activation and collagen production stimulated by acetaldehyde. In addition, SF increased MMP-1 expression and decreased TIMP-1 expression. These results showed that SF protected PCLSs from acetaldehyde-stimulated HSC activation and liver injury, which may be associated with the attenuation of oxidative injury and acceleration of collagen degradation.

  16. Atmospheric chemistry of toxic contaminants 2. Saturated aliphatics: Acetaldehyde, dioxane, ethylene glycol ethers, propylene oxide

    SciTech Connect

    Grosjean, D. )

    1990-11-01

    Detailed mechanisms are outlined for the chemical reactions that contribute to in-situ formation and atmospheric removal of the saturated aliphatic contaminants acetaldehyde, dioxane, ethylene glycol ethers (methyl, ethyl, n-butyl) and propylene oxide. In-situ formation is of major importance for acetaldehyde. In-situ removal involves reaction with OH (all compounds) and, for acetaldehyde, photolysis and reaction with NO{sub 3}. Acetaldehyde, dioxane, and the ethers are rapidly removed (half-lives of less than one day), leading to PAN (acetaldehyde) and to 2-oxodioxane and formaldehyde (dioxane). Reaction products of the glycol ethers include a large number of hydroxyesters, hydroxyacids, and hydroxycarbonyls. Propylene oxide reacts only slowly with OH, with an atmospheric half-life of 3 - 10 days, to yeild formaldehyde, acetaldehyde, and PAN. Uncertainties in the reaction mechanisms for dioxane, the glycol ethers, and propylene oxide are discussed and include C-C vs C-O bond scission in alkoxy radicals as well as alkoxy radical unimolecular decomposition vs reaction with oxygen.

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

    PubMed

    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.

  18. Eucomic acid methanol monosolvate

    PubMed Central

    Li, Guo-Qiang; Li, Yao-Lan; Wang, Guo-Cai; Liang, Zhi-Hong; Jiang, Ren-Wang

    2011-01-01

    In the crystal structure of the title compound [systematic name: 2-hy­droxy-2-(4-hy­droxy­benz­yl)butane­dioic acid methanol monosolvate], C11H12O6·CH3OH, the dihedral angles between the planes of the carboxyl groups and the benzene ring are 51.23 (9) and 87.97 (9)°. Inter­molecular O—H⋯O hydrogen-bonding inter­actions involving the hy­droxy and carb­oxy­lic acid groups and the methanol solvent mol­ecule give a three-dimensional structure. PMID:22091200

  19. Two new methanol converters

    SciTech Connect

    Westerterp, K.R.; Bodewes, T.N.; Vrijiand, M.S.A.; Kuczynski, M. )

    1988-11-01

    Two novel converter systems were developed for the manufacture of methanol from synthesis gas: the Gas-Solid-Solid Trickle Flow Reactor (GSSTFR) and the Reactor System with Interstage Product Removal (RSIPR). In the GSSTFR version, the product formed at the catalyst surface is directly removed from the reaction zone by means of a solid adsorbent. This adsorbent continuously trickles over the catalyst bed. High reactant conversions up to 100% can be achieved in a single pass so that the usual recycle loop for the unconverted reactants is absent or greatly reduced in size. In the RSIPR version, high conversions per pass are achieved in a series of adiabatic or isothermal fixed bed reactors with selective product removal in absorbers between the reactor stages. The feasibility and economics of the two systems are discussed on the basis of 1,000 tpd methanol plants compared with a low-pressure Lurgi system.

  20. Relative reactivities of histamine and indoleamines with acetaldehyde.

    PubMed

    Ohya, Takeshi; Niitsu, Masaru

    2003-08-01

    Relative reactivities of histamine and indoleamines such as tryptamine, 5-hydroxytryptamine and 5-methoxytryptamine with acetaldehyde (AA) under physiological conditions were investigated. AA was found to have much higher reactivity towards histamine than towards indoleamines. For example, when a reaction mixture of AA (1 mM) and histamine or tryptamine (5 mM) in 0.1 M phosphate buffer (pH 7.4) was incubated at 37 degrees C for 24 h, AA decreased by 11% in the case of tryptamine, while in the case of histamine, it decreased 88%. In addition, the reaction product of AA with histamine was investigated. Mixtures of a fixed amount of histamine (5 mM) and various amounts of AA (1-20 mM) in phosphate buffer (pH 7.4) were incubated for 5 h at 37 degrees C. In all cases, only one product, 4-methylspinaceamine (4-MSPA), was observed. The yield of 4-MSPA was in approximate agreement with the losses of histamine and AA, indicating that the loss of histamine caused by the reaction of AA was quantatively converted to 4-MSPA. These results show that the reaction of AA with histamine easily takes place to produce 4-MSPA in an aqueous medium close to physiological conditions.

  1. Acetaldehyde involvement in ethanol's postabsortive effects during early ontogeny

    PubMed Central

    March, Samanta M.; Abate, P.; Molina, Juan C.

    2013-01-01

    Clinical and biomedical studies sustains the notion that early ontogeny is a vulnerable window to the impact of alcohol. Experiences with the drug during these stages increase latter disposition to prefer, use or abuse ethanol. This period of enhanced sensitivity to ethanol is accompanied by a high rate of activity in the central catalase system, which metabolizes ethanol in the brain. Acetaldehyde (ACD), the first oxidation product of ethanol, has been found to share many neurobehavioral effects with the drug. Cumulative evidence supports this notion in models employing adults. Nevertheless very few studies have been conducted to analyze the role of ACD in ethanol postabsorptive effects, in newborns or infant rats. In this work we review recent experimental literature that syndicates ACD as a mediator agent of reinforcing aspects of ethanol, during early ontogenetic stages. We also show a meta-analytical correlational approach that proposes how differences in the activity of brain catalase across ontogeny, could be modulating patterns of ethanol consumption. PMID:23801947

  2. The toxicity of methanol

    SciTech Connect

    Tephly, T.R. )

    1991-01-01

    Methanol toxicity in humans and monkeys is characterized by a latent period of many hours followed by a metabolic acidosis and ocular toxicity. This is not observed in most lower animals. The metabolic acidosis and blindness is apparently due to formic acid accumulation in humans and monkeys, a feature not seen in lower animals. The accumulation of formate is due to a deficiency in formate metabolism which is, in turn, related, in part, to low hepatic tetrahydrofolate (H{sub 4}folate). An excellent correlation between hepatic H{sub 4} folate and formate oxidation rates has been shown within and across species. Thus, humans and monkeys possess low hepatic H{sub 4}folate levels, low rates of formate oxidation and accumulation of formate after methanol. Formate, itself, produces blindness in monkeys in the absence of metabolic acidosis. In addition to low hepatic H{sub 4}folate concentrations, monkeys and humans also have low hepatic 10-formyl H{sub 4}folate dehydrogenase levels, the enzyme which is the ultimate catalyst for conversion of formate to carbon dioxide. This review presents the basis for the role of folic acid-dependent reactions in the regulation of methanol toxicity.

  3. California methanol assessment. Volume 2: Technical report

    NASA Technical Reports Server (NTRS)

    Otoole, R.; Dutzi, E.; Gershman, R.; Heft, R.; Kalema, W.; Maynard, D.

    1983-01-01

    Energy feedstock sources for methanol; methanol and other synfuels; transport, storage, and distribution; air quality impact of methanol use in vehicles, chemical methanol production and use; methanol utilization in vehicles; methanol utilization in stationary applications; and environmental and regulatory constraints are discussed.

  4. Microbiological production of acetone-butanol by Clostridium acetobutylicum.

    PubMed

    Abou-Zeid, A A; Fouad, M; Yassein, M

    1978-01-01

    Trials succeeded in raising the efficiencies of the fermentation medium, used in the fermentative production of acetone-butanol by Clostridium acetobutylicum. Egyptian black strap molasses (50.0% sugars) was suitable as carbon source in the fermentation medium, and (NH4)2SO4 was utilized with great success as inorganic nitrogen source. 140.0 g/l black strap molasses (about 7.0% sugars) and 3.0 g/l (NH4)2SO4 were the optimum concentrations for obtaining good yields of acetone and butanol. Molasses and (NH4)2SO4 were preferred because they are cheaper than the other carbon and organic nitrogen sources, used in the fermentative production of acetone-butanol. The percentage increase of the total solvents produced in the fermentation (production medium) was increased by 64.0. The slop (by-product of the acetone-butanol fermentation after distillation) was re-used in the fermentation medium as organic nitrogen source and supported the microorganisms for a good production of acetone and butanol, while when stillage was used in the production medium, the total solvents output was less than that produced in the medium containing slop.

  5. Biogenic and biomass burning sources of acetone to the troposphere

    SciTech Connect

    Atherton, C.S.

    1997-04-01

    Acetone may be an important source of reactive odd hydrogen in the upper troposphere and lower stratosphere. This source of odd hydrogen may affect the concentration of a number of species, including ozone, nitrogen oxides, methane, and others. Traditional, acetone had been considered a by-product of the photochemical oxidation of other species, and had not entered models as a primary emission. However, recent work estimates a global source term of 40-60 Tg acetone/year. Of this, 25% is directly emitted during biomass burning, and 20% is directly emitted by evergreens and other plants. Only 3% is due to anthropogenic/industrial emissions. The bulk of the remainder, 51% of the acetone source, is a secondary product from the oxidation of propane, isobutane, and isobutene. Also, while it is speculated that the oxidation of pinene (a biogenic emission) may also contribute about 6 Tg/year, this term is highly uncertain. Thus, the two largest primary sources of acetone are biogenic emission and biomass burning, with industrial/anthropogenic emissions very small in comparison.

  6. Sensor gas analyzer for acetone determination in expired air

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed Central

    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

  8. Acetaldehyde self-administration by a two-bottle choice paradigm: consequences on emotional reactivity, spatial learning, and memory.

    PubMed

    Plescia, Fulvio; Brancato, Anna; Venniro, Marco; Maniaci, Giuseppe; Cannizzaro, Emanuele; Sutera, Flavia Maria; De Caro, Viviana; Giannola, Libero Italo; Cannizzaro, Carla

    2015-03-01

    Acetaldehyde, the first alcohol metabolite, is responsible for many pharmacological effects that are not clearly distinguishable from those exerted by its parent compound. It alters motor performance, induces reinforced learning and motivated behavior, and produces different reactions according to the route of administration and the relative accumulation in the brain or in the periphery. The effective activity of oral acetaldehyde represents an unresolved field of inquiry that deserves further investigation. Thus, this study explores the acquisition and maintenance of acetaldehyde drinking behavior in adult male rats, employing a two-bottle choice paradigm for water and acetaldehyde solution (from 0.9% to 3.2% v/v), over 8 weeks. The behavioral consequences exerted by chronic acetaldehyde intake are assessed by a set of different tests: trials in an open-field arena and elevated-plus maze provided information on both general motor and explorative activity, and anxiety-driven behavioral responses. The Morris water maze allowed the exploration of cognitive processes such as spatial learning and memory. Determination of acetaldehyde levels in the brain was carried out at the end of the drinking paradigm. Our results indicate that rats exposed for the first time to acetaldehyde at 0.9% displayed a regular and stable daily drinking pattern that reached higher values and a "peaks and drops" shaped-trend when acetaldehyde concentration was increased to 3.2%. Accordingly, an increase in acetaldehyde levels in the brain was determined compared to non-acetaldehyde drinking rats. Acetaldehyde intake during the free-choice paradigm exerted an anxiogenic response in the open-field arena and elevated-plus maze, which in turn correlates with an enhancement in cognitive flexibility and spatial orientation skills, when an adaptive response to a stressful environmental challenge was required. These findings further support the idea that acetaldehyde is indeed a centrally active and

  9. The Role of Acetaldehyde in the Increased Acceptance of Ethanol after Prenatal Ethanol Exposure.

    PubMed

    Gaztañaga, Mirari; Angulo-Alcalde, Asier; Spear, Norman E; Chotro, M Gabriela

    2017-01-01

    Recent studies show that acetaldehyde, the first metabolite in the oxidation of ethanol, can be responsible for both, the appetitive and the aversive effects produced by ethanol intoxication. More specifically, it has been hypothesized that acetaldehyde produced in the periphery by the liver is responsible for the aversive effects of ethanol, while the appetitive effects relate to the acetaldehyde produced centrally through the catalase system. On the other hand, from studies in our and other laboratories, it is known that ethanol exposure during the last gestational days (GD) consistently enhances the postnatal acceptance of ethanol when measured during early ontogeny in the rat. This increased liking of ethanol is a conditioned appetitive response acquired by the fetus by the association of ethanol's flavor and an appetitive reinforcer. Although this reinforcer has not yet been fully identified, one possibility points to acetaldehyde produced centrally in the fetus as a likely candidate. This hypothesis is supported by data showing that very early in the rat's ontogeny brain catalases are functional, while the liver's enzymatic system is still immature. In this study, rat dams were administered on GD 17-20 with water or ethanol, together with an acetaldehyde-sequestering agent (D-penicillamine). The offspring's responses to ethanol was then assessed at different postnatal stages with procedures adequate for each developmental stage: on day 1, using the "odor crawling locomotion test" to measure ethanol's odor attractiveness; on day 5, in an operant conditioning procedure with ethanol as the reinforcer; and on day 14 in an ethanol intake test. Results show that the absence of acetaldehyde during prenatal ethanol exposure impeded the observation of the increased acceptance of ethanol at any age. This seems to confirm the crucial role of acetaldehyde as a reinforcer in the appetitive learning occurring during prenatal ethanol exposure.

  10. The ethanol metabolite acetaldehyde increases paracellular drug permeability in vitro and oral bioavailability in vivo.

    PubMed

    Fisher, Scott J; Swaan, Peter W; Eddington, Natalie D

    2010-01-01

    Alcohol consumption leads to the production of the highly reactive ethanol metabolite, acetaldehyde, which may affect intestinal tight junctions and increase paracellular permeability. We examined the effects of elevated acetaldehyde within the gastrointestinal tract on the permeability and bioavailability of hydrophilic markers and drug molecules of variable molecular weight and geometry. In vitro permeability was measured unidirectionally in Caco-2 and MDCKII cell models in the presence of acetaldehyde, ethanol, or disulfiram, an aldehyde dehydrogenase inhibitor, which causes acetaldehyde formation when coadministered with ethanol in vivo. Acetaldehyde significantly lowered transepithelial resistance in cell monolayers and increased permeability of the low-molecular-weight markers, mannitol and sucrose; however, permeability of high-molecular-weight markers, polyethylene glycol and inulin, was not affected. In vivo permeability was assessed in male Sprague-Dawley rats treated for 6 days with ethanol, disulfiram, or saline alone or in combination. Bioavailability of naproxen was not affected by any treatment, whereas that of paclitaxel was increased upon acetaldehyde exposure. Although disulfiram has been shown to inhibit multidrug resistance-1 P-glycoprotein (P-gp) in vitro, our data demonstrate that the known P-gp substrate paclitaxel is not affected by coadministration of disulfiram. In conclusion, we demonstrate that acetaldehyde significantly modulates tight junctions and paracellular permeability in vitro as well as the oral bioavailability of low-molecular-weight hydrophilic probes and therapeutic molecules in vivo even when these molecules are substrates for efflux transporters. These studies emphasize the significance of ethanol metabolism and drug interactions outside of the liver.

  11. The Role of Acetaldehyde in the Increased Acceptance of Ethanol after Prenatal Ethanol Exposure

    PubMed Central

    Gaztañaga, Mirari; Angulo-Alcalde, Asier; Spear, Norman E.; Chotro, M. Gabriela

    2017-01-01

    Recent studies show that acetaldehyde, the first metabolite in the oxidation of ethanol, can be responsible for both, the appetitive and the aversive effects produced by ethanol intoxication. More specifically, it has been hypothesized that acetaldehyde produced in the periphery by the liver is responsible for the aversive effects of ethanol, while the appetitive effects relate to the acetaldehyde produced centrally through the catalase system. On the other hand, from studies in our and other laboratories, it is known that ethanol exposure during the last gestational days (GD) consistently enhances the postnatal acceptance of ethanol when measured during early ontogeny in the rat. This increased liking of ethanol is a conditioned appetitive response acquired by the fetus by the association of ethanol’s flavor and an appetitive reinforcer. Although this reinforcer has not yet been fully identified, one possibility points to acetaldehyde produced centrally in the fetus as a likely candidate. This hypothesis is supported by data showing that very early in the rat’s ontogeny brain catalases are functional, while the liver’s enzymatic system is still immature. In this study, rat dams were administered on GD 17–20 with water or ethanol, together with an acetaldehyde-sequestering agent (D-penicillamine). The offspring’s responses to ethanol was then assessed at different postnatal stages with procedures adequate for each developmental stage: on day 1, using the “odor crawling locomotion test” to measure ethanol’s odor attractiveness; on day 5, in an operant conditioning procedure with ethanol as the reinforcer; and on day 14 in an ethanol intake test. Results show that the absence of acetaldehyde during prenatal ethanol exposure impeded the observation of the increased acceptance of ethanol at any age. This seems to confirm the crucial role of acetaldehyde as a reinforcer in the appetitive learning occurring during prenatal ethanol exposure. PMID:28197082

  12. Determination of acetaldehyde in saliva by gas-diffusion flow injection analysis.

    PubMed

    Ramdzan, Adlin N; Mornane, Patrick J; McCullough, Michael J; Mazurek, Waldemar; Kolev, Spas D

    2013-07-05

    The consumption of ethanol is known to increase the likelihood of oral cancer. In addition, there has been a growing concern about possible association between long term use of ethanol-containing mouthwashes and oral cancer. Acetaldehyde, known to be a carcinogen, is the first metabolite of ethanol and it can be produced in the oral cavity after consumption or exposure to ethanol. This paper reports on the development of a gas-diffusion flow injection method for the online determination of salivary acetaldehyde by its colour reaction with 3-methyl-2-benzothiazolinone hydrazone (MBTH) and ferric chloride. Acetaldehyde samples and standards (80 μL) were injected into the donor stream containing NaCl from which acetaldehyde diffused through the hydrophobic Teflon membrane of the gas-diffusion cell into the acceptor stream containing the two reagents mentioned above. The resultant intense green coloured dye was monitored spectrophotometrically at 600 nm. Under the optimum working conditions the method is characterized by a sampling rate of 9h(-1), a linear calibration range of 0.5-15 mg L(-1) (absorbance=5.40×10(-2) [acetaldehyde, mg L(-1)], R(2)=0.998), a relative standard deviation (RSD) of 1.90% (n=10, acetaldehyde concentration of 2.5 mg L(-1)), and a limit of detection (LOD) of 12.3 μg L(-1). The LOD and sampling rate of the proposed method are superior to those of the conventional gas chromatographic (GC) method (LOD=93.0 μg L(-1) and sampling rate=4 h(-1)). The reliability of the proposed method was illustrated by the fact that spiked with acetaldehyde saliva samples yielded excellent recoveries (96.6-101.9%), comparable to those obtained by GC (96.4-102.3%) and there was no statistically significant difference at the 95% confidence level between the two methods when non-spiked saliva samples were analysed.

  13. Quantification by SIFT-MS of acetaldehyde released by lung cells in a 3D model.

    PubMed

    Rutter, Abigail V; Chippendale, Thomas W E; Yang, Ying; Španěl, Patrik; Smith, David; Sulé-Suso, Josep

    2013-01-07

    Our previous studies have shown that both lung cancer cells and non-malignant lung cells release acetaldehyde in vitro. However, data from other laboratories have produced conflicting results. Furthermore, all these studies have been carried out in 2D models which are less physiological cell growth systems when compared to 3D models. Therefore, we have carried out further work on the release of acetaldehyde by lung cells in 3D collagen hydrogels. Lung cancer cells CALU-1 and non-malignant lung cells NL20 were seeded in these hydrogels at different cell concentrations and the release of acetaldehyde was measured with the Selected Ion Flow Tube Mass Spectrometry (SIFT-MS) technique. The data obtained showed that the amount of acetaldehyde released by both cell types grown in a 3D model is higher when compared to that of the same cells grown in 2D models. More importantly, acetaldehyde from the headspace of lung cancer cells could be measured even at a low cell concentration (10(5) cells per hydrogel). The differential of acetaldehyde release could be, depending on the cell concentration, more than 3 fold higher for cancer cells when compared to non-malignant lung cells. This pilot study is the first to study acetaldehyde emission from albeit only two cell types cultured in 3D scaffolds. Clearly, from such limited data the behaviour of other cell types and of tumour cells in vivo cannot be predicted with confidence. Nevertheless, this work represents another step in the search for volatile biomarkers of tumour cells, the ultimate goal of which is to exploit volatile compounds in exhaled breath and other biological fluids as biomarkers of tumours in vivo.

  14. Acetone Powder From Dormant Seeds of Ricinus communis L

    NASA Astrophysics Data System (ADS)

    Cavalcanti, Elisa D. C.; Maciel, Fábio M.; Villeneuve, Pierre; Lago, Regina C. A.; Machado, Olga L. T.; Freire, Denise M. G.

    The influence of several factors on the hydrolytic activity of lipase, present in the acetone powder from dormant castor seeds (Ricinus communis) was evaluated. The enzyme showed a marked specificity for short-chain substrates. The best reaction conditions were an acid medium, Triton X-100 as the emulsifying agent and a temperature of 30°C. The lipase activity of the acetone powder of different castor oil genotypes showed great variability and storage stability of up to 90%. The toxicology analysis of the acetone powder from genotype Nordestina BRS 149 showed a higher ricin (toxic component) content, a lower 2S albumin (allergenic compound) content, and similar allergenic potential compared with untreated seeds.

  15. Methanol-Air Batteries.

    DTIC Science & Technology

    1977-01-01

    Cells charged with 120 ml of anolyte , consisting of 6 M methanol in 11 M KOH, have operated for 2,230 hours under cyclic load drains of 50 mA for 13...minutes and 2 A for 1 second. One cell operated for more than 8,000 hours with periodic refilling of fresh anolyte , demonstrating the long serviceable...life of the electrode components. Fuel utilization efficiencies as high as 84% have been obtained from cells charged with an anolyte solution of

  16. Measurement of acetaldehyde in exhaled breath using a laser absorption spectrometer

    NASA Astrophysics Data System (ADS)

    Kamat, Pratyuma C.; Roller, Chad B.; Namjou, Khosrow; Jeffers, James D.; Faramarzalian, Ali; Salas, Rodolfo; McCann, Patrick J.

    2007-07-01

    A high-resolution liquid-nitrogen-free mid-infrared tunable diode laser absorption spectroscopy (TDLAS) system was used to perform real-time measurement of acetaldehyde concentrations in human exhaled breath following ingestion of an alcoholic beverage. Acetaldehyde absorption features were measured near 5.79 μm (1727 cm-1) using a IV-VI semiconductor laser, a 100 m long path optical gas cell, and second- harmonic detection coupled with wavelength modulation. Acetaldehyde levels were measured with a minimum detection limit of 80 ppb for 5 s integration time. The variations in exhaled acetaldehyde levels over time were analyzed prior to and following ingestion of two different amounts of white wine. A method to calibrate acetaldehyde measurements internally using water vapor absorption lines was investigated to eliminate the need for system calibration with gas standards. The potential of a TDLAS system to be used as a noninvasive clinical tool for measurements of large volatile compounds with possible applications in cancer detection is demonstrated.

  17. Theoretical study of the mechanism of cycloaddition reaction between dichloro-germylidene and acetaldehyde

    NASA Astrophysics Data System (ADS)

    Lu, Xiuhui; Han, Junfeng; Xu, Yuehua; Shi, Leyi; Lian, Zhenxia

    2010-06-01

    The mechanism of the cycloadditional reaction between singlet dichloro-germylidene(R1) and (acetaldehyde(R2) has been investigated with MP2/6-31G* method, including geometry optimization, vibrational analysis and energies for the involved stationary points on the potential energy surface. From the potential energy profile, we predict that the cycloaddition reaction between singlet dichloro-germylidene and acetaldehyde has two competitive dominant reaction pathways. Going with the formation of two side products (INT3 and INT4), simultaneously. The two competitive reactions both consist of two steps: (1) two reactants firstly form a three-membered ring intermediate (INT1) and a twisted four-membered ring intermediate (INT2), respectively, both of which are barrier-free exothermic reactions of 44.5 and 63.0 kJ/mol; (2) then INT1 and INT2 further isomerize to a four-membered ring product (P1) and a chlorine-transfer product (P2) via transitions (TS1 and TS2), respectively, with the barriers of 9.3 and 1.0 kJ/mol; simultaneously, P1 and INT2 react further with acetaldehyde(R2) to give two side products (INT3 and INT4), respectively, which are also barrier-free exothermic reaction of 65.4 and 102.7 kJ/mol.

  18. Dissociative electron attachments to ethanol and acetaldehyde: A combined experimental and simulation study

    SciTech Connect

    Wang, Xu-Dong; Xuan, Chuan-Jin; Feng, Wen-Ling; Tian, Shan Xi

    2015-02-14

    Dissociation dynamics of the temporary negative ions of ethanol and acetaldehyde formed by the low-energy electron attachments is investigated by using the anion velocity map imaging technique and ab initio molecular dynamics simulations. The momentum images of the dominant fragments O{sup −}/OH{sup −} and CH{sub 3}{sup −} are recorded, indicating the low kinetic energies of O{sup −}/OH{sup −} for ethanol while the low and high kinetic energy distributions of O{sup −} ions for acetaldehyde. The CH{sub 3}{sup −} image for acetaldehyde also shows the low kinetic energy. With help of the dynamics simulations, the fragmentation processes are qualitatively clarified. A new cascade dissociation pathway to produce the slow O{sup −} ion via the dehydrogenated intermediate, CH{sub 3}CHO{sup −} (acetaldehyde anion), is proposed for the dissociative electron attachment to ethanol. After the electron attachment to acetaldehyde molecule, the slow CH{sub 3}{sup −} is produced quickly in the two-body dissociation with the internal energy redistributions in different aspects before bond cleavages.

  19. Acetaldehyde addition throughout the growth phase alleviates the phenotypic effect of zinc deficiency in Saccharomyces cerevisiae.

    PubMed

    Cheraiti, Naoufel; Sauvage, François-Xavier; Salmon, Jean-Michel

    2008-01-01

    During experiments to determine the effects of exogenously added acetaldehyde on pure cultures of various yeast strains, we discovered that an early acetaldehyde perfusion during the growth phase allowed several yeasts to partially overcome the phenotypic effects of zinc depletion during alcoholic fermentation. We, therefore, performed genome-wide expression and proteomic analysis on an industrial Saccharomyces cerevisiae yeast strain (VL1) growing in zinc-replete or zinc-depleted conditions in the presence of perfused acetaldehyde to identify molecular markers of this effect. Zinc depletion severely affects ethanol production and therefore nicotinamide adenine dinucleotide (NAD) regeneration, although we observed partial compensation by the upregulation of the poorly efficient Fe-dependent Adh4p in our conditions. A coordinate metabolic response was indeed observed in response to the early acetaldehyde perfusion, and particularly of the lower part of glycolysis, leading to the cellular replenishment of NAD cofactor. These various findings suggest that acetaldehyde exchange between strains may inhibit the growth of some yeast strains while encouraging the growth of others. This phenomenon could be particularly important for understanding the ecology of colonization of complex fermentation media by S. cerevisiae after elimination of non-Saccharomyces yeasts.

  20. Formaldehyde and acetaldehyde associated with the use of natural gas as a fuel for light vehicles

    NASA Astrophysics Data System (ADS)

    Corrêa, Sérgio M.; Arbilla, Graciela

    Data collected from 1998 to 2001 clearly show that formaldehyde levels in ambient air of the city of Rio de Janeiro increased in 2001 (Corrêa et al., 2003, Atmospheric Environment 37, 23-29). In order to continue this study, samples were collected at the same site in the period from 2001 to 2002. In this work, we present the observed trends for formaldehyde and acetaldehyde levels from 1998 to 2002. Mean formaldehyde levels increased from 20 ppb in 1998 to 80 ppb in 2002, while acetaldehyde concentrations remained nearly unchanged. The formaldehyde/acetaldehyde ratio increased from 1.0 to 4.5 in the same period of time. These results may be explained by the increasing use of compressed natural gas by the vehicular fleet, in substitution of ethanol and gasohol (a mixture of gasoline and ethanol, 24% v/v). In order to confirm this hypothesis, some experiments were carried out to estimate the formaldehyde and acetaldehyde emissions from 20 automobiles powered by natural gas. The results showed a mean formaldehyde/acetaldehyde emission ratio of 3.42 for natural gas-fueled vehicles and of 0.24 when the same vehicles are fueled with gasohol. These high levels of formaldehyde may be attributed to the incomplete combustion of methane (80-90% of the natural gas) that is catalytically converted to formaldehyde in the exhaust pipe.

  1. Transport of methanol by pipeline

    SciTech Connect

    Not Available

    1985-04-01

    This report examines and evaluates the problems and considerations that could affect the feasibility of transporting methanol by pipeline. The following are the major conclusions: Though technical problems, such as methanol water contamination and materials incompatibility, remain to be solved, none appears insolvable. Methanol appears to be less toxic, and therefore to represent less of a health hazard, than gasoline, the fuel for which methanol is expected to substitute. The primary safety hazards of methanol, fire and explosion, are no worse than those of gasoline. The environmental hazards that can be associated with methanol are not as significant as those of petroleum. Provided quantities of throughput sufficient to justify pipeline transport are available, there appear to be no economic impediments to the transport of methanol by pipeline. Based on these, it appears that it can be concluded that the pipelining of methanol, whether via an existing petroleum pipeline or a new methanol-dedicated pipeline, is indeed feasible. 66 refs., 3 figs., 27 tabs.

  2. Evaluation of the acetaldehyde production and degradation potential of 26 enological Saccharomyces and non-Saccharomyces yeast strains in a resting cell model system.

    PubMed

    Li, Erhu; de Orduña, Ramón Mira

    2011-09-01

    Acetaldehyde is relevant for wine aroma, wine color, and microbiological stability. Yeast are known to play a crucial role in production and utilization of acetaldehyde during fermentations but comparative quantitative data are scarce. This research evaluated the acetaldehyde metabolism of 26 yeast strains, including commercial Saccharomyces and non-Saccharomyces, in a reproducible resting cell model system. Acetaldehyde kinetics and peak values were highly genus, species, and strain dependent. Peak acetaldehyde values varied from 2.2 to 189.4 mg l(-1) and correlated well (r(2) = 0.92) with the acetaldehyde production yield coefficients that ranged from 0.4 to 42 mg acetaldehyde per g of glucose in absence of SO(2). S. pombe showed the highest acetaldehyde production yield coefficients and peak values. All other non-Saccharomyces species produced significantly less acetaldehyde than the S. cerevisiae strains and were less affected by SO(2) additions. All yeast strains could degrade acetaldehyde as sole substrate, but the acetaldehyde degradation rates did not correlate with acetaldehyde peak values or acetaldehyde production yield coefficients in incubations with glucose as sole substrate.

  3. The ethanol metabolite acetaldehyde induces water and salt intake via two distinct pathways in the central nervous system of rats.

    PubMed

    Ujihara, Izumi; Hitomi, Suzuro; Ono, Kentaro; Kakinoki, Yasuaki; Hashimoto, Hirofumi; Ueta, Yoichi; Inenaga, Kiyotoshi

    2015-12-01

    The sensation of thirst experienced after heavy alcohol drinking is widely regarded as a consequence of ethanol (EtOH)-induced diuresis, but EtOH in high doses actually induces anti-diuresis. The present study was designed to investigate the introduction mechanism of water and salt intake after heavy alcohol drinking, focusing on action of acetaldehyde, a metabolite of EtOH and a toxic substance, using rats. The aldehyde dehydrogenase (ALDH) inhibitor cyanamide was used to mimic the effect of prolonged acetaldehyde exposure because acetaldehyde is quickly degraded by ALDH. Systemic administration of a high-dose of EtOH at 2.5 g/kg induced water and salt intake with anti-diuresis. Cyanamide enhanced the fluid intake following EtOH and acetaldehyde administration. Systemic administration of acetaldehyde with cyanamide suppressed blood pressure and increased plasma renin activity. Blockade of central angiotensin receptor AT1R suppressed the acetaldehyde-induced fluid intake and c-Fos expression in the circumventricular organs (CVOs), which form part of dipsogenic mechanism in the brain. In addition, central administration of acetaldehyde together with cyanamide selectively induced water but not salt intake without changes in blood pressure. In electrophysiological recordings from slice preparations, acetaldehyde specifically excited angiotensin-sensitive neurons in the CVO. These results suggest that acetaldehyde evokes the thirst sensation following heavy alcohol drinking, by two distinct and previously unsuspected mechanisms, independent of diuresis. First acetaldehyde indirectly activates AT1R in the dipsogenic centers via the peripheral renin-angiotensin system following the depressor response and induces both water and salt intake. Secondly acetaldehyde directly activates neurons in the dipsogenic centers and induces only water intake.

  4. NASOPHARYNGEAL CONCENTRATIONS IN THE HUMAN VOLUNTEER BREATHING ACETONE

    EPA Science Inventory

    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 ...

  5. Controlling tunnelling in methane loss from acetone ions by deuteration.

    PubMed

    Bodi, Andras; Baer, Tomas; Wells, Nancy K; Fakhoury, Daniel; Klecyngier, David; Kercher, James P

    2015-11-21

    Energetic acetone cations decay by methane or methyl radical loss. Although the methane-loss barrier to form the ketene cation is higher and the activation entropy is lower, it has a significant branching ratio at low energies thanks to quantum tunnelling. H-atom tunnelling can be selectively quenched and the methane-loss channel suppressed quantitatively by deuteration.

  6. Photo-catalytic oxidation of acetone on a TiO2 powder: An in situ FTIR investigation

    SciTech Connect

    Szanyi, János; Kwak, Ja Hun

    2015-09-01

    In situ transmission infrared spectroscopy was used to investigate the photo-oxidation of acetone on a commercial, oxidized TiO2 (P25) powder catalyst under UV irradiation at ambient temperature, in the absence and presence of gas phase O2. The photochemistry of a number of organic molecules (1-butanone, methanol and acetic acid,) under the same conditions was also studied in order to identify reaction intermediates and products formed in the photo-oxidation of acetone. Under anaerobic conditions (in the absence of gas phase oxygen) limited extent of photo-oxidation of acetone took place on the oxidized TiO2 sample. In the presence of O2 in the gas phase, however, acetone was completely converted to acetates and formates, and ultimately CO2. The initial step in the sequence of photo-induced reactions is the ejection of a methyl radical, resulting in the formation of surface acetates (from the acetyl group) and formates (from the methyl radicals). Acetate ions are also converted to formates, that, in turn, photo-oxidized to CO2. Under the experimental conditions applied the accumulation of carbonates and bicarbonates were observed on the TiO2 surface as the photo-oxidation of acetone proceeded (this was also observed during the course of photo-oxidation of all the other organics studied here). When the initial radical ejection step produced hydrocarbons containing more than one C atoms (as in the case in 2-butanone and mesytil oxide), the formation of aldehydes on the catalyst surface was also observed as a result of secondary reactions. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. JHK also acknowledges the support of this work by the 2014 Research Fund of UNIST (Ulsan National Institute of Science and Technology, Ulsan, Korea). The authors thank M

  7. Redirection of the Reaction Specificity of a Thermophilic Acetolactate Synthase toward Acetaldehyde Formation

    PubMed Central

    Cheng, Maria; Yoshiyasu, Hayato; Okano, Kenji; Ohtake, Hisao; Honda, Kohsuke

    2016-01-01

    Acetolactate synthase and pyruvate decarboxylase are thiamine pyrophosphate-dependent enzymes that convert pyruvate into acetolactate and acetaldehyde, respectively. Although the former are encoded in the genomes of many thermophiles and hyperthermophiles, the latter has been found only in mesophilic organisms. In this study, the reaction specificity of acetolactate synthase from Thermus thermophilus was redirected to catalyze acetaldehyde formation to develop a thermophilic pyruvate decarboxylase. Error-prone PCR and mutant library screening led to the identification of a quadruple mutant with 3.1-fold higher acetaldehyde-forming activity than the wild-type. Site-directed mutagenesis experiments revealed that the increased activity of the mutant was due to H474R amino acid substitution, which likely generated two new hydrogen bonds near the thiamine pyrophosphate-binding site. These hydrogen bonds might result in the better accessibility of H+ to the substrate-cofactor-enzyme intermediate and a shift in the reaction specificity of the enzyme. PMID:26731734

  8. Impact of bioethanol fuel implementation in transport based on modelled acetaldehyde concentration in the urban environment.

    PubMed

    Sundvor, Ingrid; López-Aparicio, Susana

    2014-10-15

    This study shows the results obtained from emission and air dispersion modelling of acetaldehyde in the city of Oslo and associated with the circulation of bioethanol vehicles. Two scenarios of bioethanol implementation, both realistic and hypothetical, have been considered under winter conditions; 1) realistic baseline scenario, which corresponds to the current situation in Oslo where one bus line is running with bioethanol (E95; 95% ethanol-5% petrol) among petrol and diesel vehicles; and 2) a hypothetical scenario characterized by a full implementation of high-blend bioethanol (i.e. E85) as fuel for transportation, and thus an entire bioethanol fleet. The results indicate that a full implementation of bioethanol will have a certain impact on urban air quality due to direct emissions of acetaldehyde. Acetaldehyde emissions are estimated to increase by 233% and concentration levels increase up to 650% with regard to the baseline.

  9. Redirection of the Reaction Specificity of a Thermophilic Acetolactate Synthase toward Acetaldehyde Formation.

    PubMed

    Cheng, Maria; Yoshiyasu, Hayato; Okano, Kenji; Ohtake, Hisao; Honda, Kohsuke

    2016-01-01

    Acetolactate synthase and pyruvate decarboxylase are thiamine pyrophosphate-dependent enzymes that convert pyruvate into acetolactate and acetaldehyde, respectively. Although the former are encoded in the genomes of many thermophiles and hyperthermophiles, the latter has been found only in mesophilic organisms. In this study, the reaction specificity of acetolactate synthase from Thermus thermophilus was redirected to catalyze acetaldehyde formation to develop a thermophilic pyruvate decarboxylase. Error-prone PCR and mutant library screening led to the identification of a quadruple mutant with 3.1-fold higher acetaldehyde-forming activity than the wild-type. Site-directed mutagenesis experiments revealed that the increased activity of the mutant was due to H474R amino acid substitution, which likely generated two new hydrogen bonds near the thiamine pyrophosphate-binding site. These hydrogen bonds might result in the better accessibility of H+ to the substrate-cofactor-enzyme intermediate and a shift in the reaction specificity of the enzyme.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Genetic-epidemiological evidence for the role of acetaldehyde in cancers related to alcohol drinking.

    PubMed

    Eriksson, C J Peter

    2015-01-01

    Alcohol drinking increases the risk for a number of cancers. Currently, the highest risk (Group 1) concerns oral cavity, pharynx, larynx, esophagus, liver, colorectum, and female breast, as assessed by the International Agency for Research on Cancer (IARC). Alcohol and other beverage constituents, their metabolic effects, and alcohol-related unhealthy lifestyles have been suggested as etiological factors. The aim of the present survey is to evaluate the carcinogenic role of acetaldehyde in alcohol-related cancers, with special emphasis on the genetic-epidemiological evidence. Acetaldehyde, as a constituent of alcoholic beverages, and microbial and endogenous alcohol oxidation well explain why alcohol-related cancers primarily occur in the digestive tracts and other tissues with active alcohol and acetaldehyde metabolism. Genetic-epidemiological research has brought compelling evidence for the causality of acetaldehyde in alcohol-related cancers. Thus, IARC recently categorized alcohol-drinking-related acetaldehyde to Group 1 for head and neck and esophageal cancers. This is probably just the tip of the iceberg, since more recent epidemiological studies have also shown significant positive associations between the aldehyde dehydrogenase ALDH2 (rs671)*2 allele (encoding inactive enzyme causing high acetaldehyde elevations) and gastric, colorectal, lung, and hepatocellular cancers. However, a number of the current studies lack the appropriate matching or stratification of alcohol drinking in the case-control comparisons, which has led to erroneous interpretations of the data. Future studies should consider these aspects more thoroughly. The polymorphism phenotypes (flushing and nausea) may provide valuable tools for future successful health education in the prevention of alcohol-drinking-related cancers.

  12. EPAC activation inhibits acetaldehyde-induced activation and proliferation of hepatic stellate cell via Rap1.

    PubMed

    Yang, Yan; Yang, Feng; Wu, Xiaojuan; Lv, Xiongwen; Li, Jun

    2016-05-01

    Hepatic stellate cells (HSCs) activation represents an essential event during alcoholic liver fibrosis (ALF). Previous studies have demonstrated that the rat HSCs could be significantly activated after exposure to 200 μmol/L acetaldehyde for 48 h, and the cAMP/PKA signaling pathways were also dramatically upregulated in activated HSCs isolated from alcoholic fibrotic rat liver. Exchange protein activated by cAMP (EPAC) is a family of guanine nucleotide exchange factors (GEFs) for the small Ras-like GTPases Rap, and is being considered as a vital mediator of cAMP signaling in parallel with the principal cAMP target protein kinase A (PKA). Our data showed that both cAMP/PKA and cAMP/EPAC signaling pathways were involved in acetaldehyde-induced HSCs. Acetaldehyde could reduce the expression of EPAC1 while enhancing the expression of EPAC2. The cAMP analog Me-cAMP, which stimulates the EPAC/Rap1 pathway, could significantly decrease the proliferation and collagen synthesis of acetaldehyde-induced HSCs. Furthermore, depletion of EPAC2, but not EPAC1, prevented the activation of HSC measured as the production of α-SMA and collagen type I and III, indicating that EPAC1 appears to have protective effects on acetaldehyde-induced HSCs. Curiously, activation of PKA or EPAC perhaps has opposite effects on the synthesis of collagen and α-SMA: EPAC activation by Me-cAMP increased the levels of GTP-bound (activated) Rap1 while PKA activation by Phe-cAMP had no significant effects on such binding. These results suggested that EPAC activation could inhibit the activation and proliferation of acetaldehyde-induced HSCs via Rap1.

  13. In vitro expression of Candida albicans alcohol dehydrogenase genes involved in acetaldehyde metabolism.

    PubMed

    Bakri, M M; Rich, A M; Cannon, R D; Holmes, A R

    2015-02-01

    Alcohol consumption is a risk factor for oral cancer, possibly via its conversion to acetaldehyde, a known carcinogen. The oral commensal yeast Candida albicans may be one of the agents responsible for this conversion intra-orally. The alcohol dehydrogenase (Adh) family of enzymes are involved in acetaldehyde metabolism in yeast but, for C. albicans it is not known which family member is responsible for the conversion of ethanol to acetaldehyde. In this study we determined the expression of mRNAs from three C. albicans Adh genes (CaADH1, CaADH2 and CaCDH3) for cells grown in different culture media at different growth phases by Northern blot analysis and quantitative reverse transcription polymerase chain reaction. CaADH1 was constitutively expressed under all growth conditions but there was differential expression of CaADH2. CaADH3 expression was not detected. To investigate whether CaAdh1p or CaAdh2p can contribute to alcohol catabolism in C. albicans, each gene from the reference strain C. albicans SC5314 was expressed in Saccharomyces cerevisiae. Cell extracts from an CaAdh1p-expressing S. cerevisiae recombinant, but not an CaAdh2p-expressing recombinant, or an empty vector control strain, possessed ethanol-utilizing Adh activity above endogenous S. cerevisiae activity. Furthermore, expression of C. albicans Adh1p in a recombinant S. cerevisiae strain in which the endogenous ScADH2 gene (known to convert ethanol to acetaldehyde in this yeast) had been deleted, conferred an NAD-dependent ethanol-utilizing, and so acetaldehyde-producing, Adh activity. We conclude that CaAdh1p is the enzyme responsible for ethanol use under in vitro growth conditions, and may contribute to the intra-oral production of acetaldehyde.

  14. Acetaldehyde Induces Cytotoxicity of SH-SY5Y Cells via Inhibition of Akt Activation and Induction of Oxidative Stress.

    PubMed

    Yan, Tingting; Zhao, Yan; Zhang, Xia

    2016-01-01

    Excessive alcohol consumption can lead to brain tissue damage and cognitive dysfunction. It has been shown that heavy drinking is associated with an earlier onset of neurodegenerative diseases such as Alzheimer's disease. Acetaldehyde, the most toxic metabolite of ethanol, is speculated to mediate the brain tissue damage and cognitive dysfunction induced by the chronic excessive consumption of alcohol. However, the exact mechanisms by which acetaldehyde induces neurotoxicity are not totally understood. In this study, we investigated the cytotoxic effects of acetaldehyde in SH-SY5Y cells and found that acetaldehyde induced apoptosis of SH-SY5Y cells by downregulating the expression of antiapoptotic Bcl-2 and Bcl-xL and upregulating the expression of proapoptotic Bax. Acetaldehyde treatment led to a significant decrease in the levels of activated Akt and cyclic AMP-responsive element binding protein (CREB). In addition, acetaldehyde induced the activation of p38 mitogen-activated protein kinase (MAPK) while inhibiting the activation of extracellular signal-regulated kinases (ERKs, p44/p42MAPK). Meanwhile, acetaldehyde treatment caused an increase in the production of reactive oxygen species and elevated the oxidative stress in SH-SY5Y cells. Therefore, acetaldehyde induces cytotoxicity of SH-SY5Y cells via promotion of apoptotic signaling, inhibition of cell survival pathway, and induction of oxidative stress.

  15. Betulin, betulinic acid and butein are inhibitors of acetaldehyde-induced activation of liver stellate cells.

    PubMed

    Szuster-Ciesielska, Agnieszka; Plewka, Krzysztof; Kandefer-Szerszeń, Martyna

    2011-01-01

    Liver fibrosis has been reported to be inhibited in vivo by oleanolic and ursolic acids; however, the activity of other triterpenes like betulin and betulinic acid has not been examined. Butein has also been reported to prevent and partly reverse liver fibrosis in vivo, although its mechanism of action is poorly understood. Therefore, the aim of this study was to determine the antifibrotic potential of butein, betulin, and betulinic acid and examine their mechanisms of action in vitro. This study was conducted in rat stellate cells (HSCs) that were treated with acetaldehyde, which is the most reactive product of ethanol metabolism. Butein, betulin, and betulinic acid were preincubated with rat HSCs at non-toxic concentrations. Treatment effects were measured in regard to acetaldehyde-induced toxicity and cell migration, and several markers of HSC activation were evaluated, including smooth muscle α-actin (α-SMA) and procollagen I expression. In addition, changes in the release of reactive oxygen species (ROS) and cytokines such as tumor necrosis factor-α (TNF-α) and tumor growth factor-β1 (TGF-β1) and changes in the production of metalloproteinase-2 (MMP-2) and tissue inhibitors of metalloproteinases (TIMP-1 and TIMP-2) were determined. In vitro, HSCs were protected against acetaldehyde-induced toxicity by betulin but not by betulinic acid and butein. However, butein, betulin, and betulinic acid inhibited the production of ROS by HSCs treated with acetaldehyde and inhibited their migration. Butein also inhibited acetaldehyde-induced TGF-β1 production. Butein, betulin, and betulinic acid down-regulated acetaldehyde-induced production of TIMP-1 and TIMP-2. Betulin decreased the acetaldehyde-induced activity of MMP-2, but butein and betulinic acid did not. The results indicated that butein, betulin, and betulinic acid inhibited the acetaldehyde-induced activation of HSCs. Each drug functioned in a different manner, whereby some were acting as either

  16. Inhibition of intracolonic acetaldehyde production and alcoholic fermentation in rats by ciprofloxacin.

    PubMed

    Visapää, J P; Jokelainen, K; Nosova, T; Salaspuro, M

    1998-08-01

    Heavy drinking is associated with many gastrointestinal symptoms and diseases, such as rapid intestinal transit time, diarrhea, colon polyps, and colorectal cancer. Acetaldehyde produced from ethanol by intestinal microbes has recently been suggested to be one of the pathogenetic factors related to alcohol-associated gastrointestinal morbidity. Furthermore, acetaldehyde is absorbed from the colon into portal blood and may thus contribute to the development of alcoholic liver injury. The present study was aimed to investigate the significance of gut aerobic flora in intracolonic acetaldehyde formation. For this study, 58 male Wistar rats (aged 9 to 11 weeks) were used. Half of the rats received ciprofloxacin for four consecutive days. Control rats (n = 29) received standard chow. On the fifth day of treatment, 1.5 g/kg body weight of ethanol was administered intraperitoneally to 19 rats receiving ciprofloxacin and 19 control rats. Ten ciprofloxacin-treated and 10 control rats received equal volumes of physiological saline intraperitoneally. Two hours after the injection of ethanol or saline, the samples of colonic contents and blood were obtained. Acetaldehyde and ethanol levels of the samples were determined by headspace gas chromatography. The intracolonic acetaldehyde level 2 hr after ethanol administration was 483+/-169 microM (maximum: 2.7 mM). High intracolonic acetaldehyde after ethanol injection was significantly reduced by ciprofloxacin treatment. After ciprofloxacin, intracolonic acetaldehyde levels before and after the injection of ethanol were 25+/-4.8 and 23+/-15 microM, respectively. Ciprofloxacin treatment resulted also in significantly higher blood (p < 0.005) and intracolonic (p < 0.0001) ethanol levels than in the control animals. Furthermore, ciprofloxacin treatment totally abolished the formation of endogenous ethanol in the large intestine. This study demonstrates that alcoholic fermentation and intracoIonic acetaldehyde production can be

  17. Quantification of DNA adducts in lungs, liver and brain of rats exposed to acetaldehyde.

    PubMed

    Garcia, Camila C M; Batista, Guilherme L; Freitas, Florêncio P; Lopes, Fernando S; Sanchez, Angélica B; Gutz, Ivano G R; Di Mascio, Paolo; Medeiros, Marisa H G

    2014-10-01

    Air pollution is a major risk for human health. Acetaldehyde is an environmental pollutant present in tobacco smoke, vehicle exhaust and several food products. Formation of DNA adducts has been regarded as a critical factor in the mechanisms of acetaldehyde mutagenicity and carcinogenesis. Acetaldehyde reacts with 2'-deoxyguanosine in DNA to primarily form N(2)-ethylidene-2'-deoxyguanosine (N(2)-ethylidene-dGuo). The subsequent reaction of N(2)-ethylidene-dGuo with another molecule of acetaldehyde gives rise to 1,N(2)-propano-2´-deoxyguanosine (1,N(2)-propanodGuo). In this study, on-line reverse-phase high-performance liquid chromatography (HPLC) separation with tandem mass spectrometry detection was utilized for the accurate quantification of 1,N(2)-propanodGuo and 1,N(2)-etheno-2'-deoxyguanosine (1,N(2)-edGuo) in tissues of rats exposed to 12 ppb, 33 ppb and 96 ppb acetaldehyde in atmospheric air for 50 days. A significant increase in the levels of 1,N(2)-propanodGuo was observed in lung tissues of rats exposed to 12 ppb (7.8/10(8) dGuo); 33 ppb (8.9/10(8) dGuo) and 96 ppb (11.6/10(8) dGuo) compared to controls (4.2/10(8) dGuo). For comparative purposes, the levels of 1,N(2)-etheno-2'-deoxyguanosine (1,N(2)-edGuo), which is produced from a,b-unsaturated aldehydes formed during the lipid peroxidation process were also measured. Elevated levels of 1,N(2)-edGuo were observed only in lung tissues of animals exposed to 96 ppb acetaldehyde. 1,N(2)-propanodGuo also differed quantitatively in liver but not in brain. The monitoring of 1,N(2)-propanodGuo levels in tissues provides important information on acetaldehyde genotoxicity and may contribute to the elucidation of the mechanisms associated with acetaldehyde exposure and cancer risk. Supported byFAPESP:2011/10048-5, CAPES, INCT Redoxoma:573530/2008-4,NAP Redoxoma: 2011.1.9352.1.8, CEPID Redoxoma:2013/07937-8.

  18. OTEC energy via methanol production

    SciTech Connect

    Avery, W.H.; Richards, D.; Niemeyer, W.G.; Shoemaker, J.D.

    1983-01-01

    The conceptual design of an 160 MW/sub e/ OTEC plantship has been documented; it is designed to produce 1000 tonne/day of fuel-grade methanol from coal slurry shipped to the plantship, using oxygen and hydrogen from the on-board electrolysis of water. Data and components are used that were derived by Brown and Root Development, Inc. (BARDI) in designing a barge-mounted plant to make methanol from natural gas for Litton Industries and in the design and construction of a coal-to-ammonia demonstration plant in operation at Muscle Shoals, Alabama, for the Tennessee Valley Authority (TVA). The OTEC-methanol plant design is based on the use of the Texaco gasifier and Lurgi synthesis units. The sale price of OTEC methanol delivered to port from this first-of-a-kind plant is estimated to be marginally competitive with methanol from other sources at current market prices.

  19. Measurement of the diffusion coefficient of acetone in succinonitrile at its melting point

    NASA Technical Reports Server (NTRS)

    Chopra, M. A.; Glicksman, M. E.; Singh, N. B.

    1988-01-01

    The diffusion coefficient of acetone in liquid succinonitrile at 331.1 K was determined using the method of McBain and Dawson (1935). Only dilute mixtures of SCN-acetone were studied. The interdiffusion constant was determined to be 0.0000127 sq cm/s and was essentially independent of the acetone concentration over the range investigated (0.5 to 18 mol pct acetone).

  20. California methanol assessment. Volume 1: Summary report

    NASA Technical Reports Server (NTRS)

    Otoole, R.; Dutzi, E.; Gershman, R.; Heft, R.; Kalema, W.; Maynard, D.

    1983-01-01

    The near term methanol industry, the competitive environment, long term methanol market, the transition period, air quality impacts of methanol, roles of the public and private sectors are considered.

  1. The role of acetaldehyde outside ethanol metabolism in the carcinogenicity of alcoholic beverages: evidence from a large chemical survey.

    PubMed

    Lachenmeier, Dirk W; Sohnius, Eva-Maria

    2008-08-01

    Acetaldehyde is a volatile compound naturally found in alcoholic beverages, and it is regarded as possibly being carcinogenic to humans (IARC Group 2B). Acetaldehyde formed during ethanol metabolism is generally considered as a source of carcinogenicity in alcoholic beverages. However, no systematic data is available about its occurrence in alcoholic beverages and the carcinogenic potential of human exposure to this directly ingested form of acetaldehyde outside ethanol metabolism. In this study, we have analysed and evaluated a large sample collective of different alcoholic beverages (n=1,555). Beer (9+/-7 mg/l, range 0-63 mg/l) had significantly lower acetaldehyde contents than wine (34+/-34 mg/l, range 0-211 mg/l), or spirits (66+/-101 mg/l, range 0-1,159 mg/l). The highest acetaldehyde concentrations were generally found in fortified wines (118+/-120 mg/l, range 12-800 mg/l). Assuming an equal distribution between the beverage and saliva, the residual acetaldehyde concentrations in the saliva after swallowing could be on average 195 microM for beer, 734 microM for wine, 1,387 microM for spirits, or 2,417 microM for fortified wine, which are above levels previously regarded as potentially carcinogenic. Further research is needed to confirm the carcinogenic potential of directly ingested acetaldehyde. Until then, some possible preliminary interventions include the reduction of acetaldehyde in the beverages by improvement in production technology or the use of acetaldehyde binding additives. A re-evaluation of the 'generally recognized as safe' status of acetaldehyde is also required, which does not appear to be in agreement with its toxicity and carcinogenicity.

  2. Evaluation of unbound free heme in plant cells by differential acetone extraction.

    PubMed

    Espinas, Nino A; Kobayashi, Koichi; Takahashi, Shigekazu; Mochizuki, Nobuyoshi; Masuda, Tatsuru

    2012-07-01

    Heme functions not only as a prosthetic group of hemoproteins but also as a regulatory molecule, suggesting the presence of 'free' heme. Classically, total non-covalently bound heme is extracted from plant samples with acidic acetone after removal of pigments with basic and neutral acetone. Earlier work proposed that free heme can be selectively extracted into basic acetone. Using authentic hemoproteins, we confirmed that acidic acetone can quantitatively extract heme, while no heme was extracted into neutral acetone. Meanwhile, a certain amount of heme was extracted into basic acetone from hemoglobin and myoglobin. Moreover, basic acetone extracted loosely bound heme from bovine serum albumin, implying that the nature of hemoproteins largely influences heme extraction into basic acetone. Using a highly sensitive heme assay, we found that basic and neutral acetone can extract low levels of heme from plant samples. In addition, neutral acetone quantitatively extracted free heme when it was externally added to plant homogenates. Furthermore, the level of neutral acetone-extractable heme remained unchanged by precursor (5-aminolevulinic acid) feeding, while increased by norflurazon treatment which abolishes chloroplast biogenesis. However, changes in these heme levels did not correlate to genomes uncoupled phenotypes, suggesting that the level of unbound free heme would not affect retrograde signaling from plastids to the nucleus. The present data demonstrate that the combination of single-step acetone extraction following a sensitive heme assay is the ideal method for determining total and free heme in plants.

  3. Seasonal variability of upper tropospheric acetone using ACE-FTS observations and LMDz-INCA model simulations

    NASA Astrophysics Data System (ADS)

    Dufour, Gaëlle; Harrison, Jeremy; Szopa, Sophie; Bernath, Peter

    2014-05-01

    The vertically-resolved distributions of oxygenated organic compounds (oVOCs) are mainly inferred from surface and airborne measurements with limited spatial and temporal coverage. This results in a limited understanding of the atmospheric budget of these compounds and of their impact on the upper tropospheric chemistry. In the last decade, satellite observations which complement in-situ measurements have become available, providing global distributions of several oVOCs. For example, Scisat-1, also known as the Atmospheric Chemistry Experiment (ACE) has measured several oVOCs including methanol and formaldehyde. ACE is a Canadian-led satellite mission for remote sensing of the Earth's atmosphere that has been in operation since 2004. The primary instrument on board is a Fourier transform spectrometer (FTS) featuring broad spectral coverage in the infrared (750-4400 cm-1) with high spectral resolution (0.02 cm-1). The FTS instrument can measure down to 5 km altitude with a high signal-to-noise ratio using solar occultation. The ACE-FTS has the ability to measure seasonal and height-resolved distributions of minor tropospheric constituents on a near-global scale and provides the opportunity to evaluate our understanding of important atmospheric oxygenated organic species. ACE-FTS acetone retrievals will be presented. The spatial distribution and seasonal variability of acetone will be described and compared to LMDz-INCA model simulations.

  4. Enhanced Acetone Sensing Characteristics of ZnO/Graphene Composites.

    PubMed

    Zhang, Hao; Cen, Yuan; Du, Yu; Ruan, Shuangchen

    2016-11-09

    ZnO/graphene (ZnO-G) hybrid composites are prepared via hydrothermal synthesis with graphite, N-methyl-pyrrolidone (NMP), and Zn(NO₃)₂·6H₂O as the precursors. The characterizations, including X-ray diffraction (XRD), thermogravimetric analyses (TGA), Raman spectroscopy, and transmission electron microscopy (TEM) indicate the formation of ZnO-G. Gas sensors were fabricated with ZnO-G composites and ZnO as sensing material, indicating that the response of the ZnO towards acetone was significantly enhanced by graphene doping. It was found that the ZnO-G sensor exhibits remarkably enhanced response of 13.3 at the optimal operating temperature of 280 °C to 100 ppm acetone, an improvement from 7.7 with pure ZnO.

  5. Economic evaluation of the acetone-butane fermentation

    SciTech Connect

    Lenz, T.G.; Moreira, A.R.

    1980-01-01

    The economics of producing acetone as 1-butanol via fermentation have been examined for a 45 x 1 kg of solvents/year plant. For a molasses substrate the total annual production costs were approximately $39 million vs. a total annual income of $36 million, with approximatley $20 million total required capital. Molasses cost of approximately $24.4 million/year was critical to these economics. Liquid whey was next evaluated as an alternative feed. Whey feed saved approximately 11 million dollars annually in feed costs and yielded approximately 8 million net additional annual revenues from protein sale. The primary differences gave an annual gross profit of approximately $15 million for the whey case and resulted in a discounted cash flow rate return of 29%. Waste-based acetone-butanol production via fermentation deserves further attention in view of the attractive whey-based economics and the excellent potential of butanol as a fuel extender, especially for diesohol blending.

  6. Enhanced Acetone Sensing Characteristics of ZnO/Graphene Composites

    PubMed Central

    Zhang, Hao; Cen, Yuan; Du, Yu; Ruan, Shuangchen

    2016-01-01

    ZnO/graphene (ZnO-G) hybrid composites are prepared via hydrothermal synthesis with graphite, N-methyl-pyrrolidone (NMP), and Zn(NO3)2·6H2O as the precursors. The characterizations, including X-ray diffraction (XRD), thermogravimetric analyses (TGA), Raman spectroscopy, and transmission electron microscopy (TEM) indicate the formation of ZnO-G. Gas sensors were fabricated with ZnO-G composites and ZnO as sensing material, indicating that the response of the ZnO towards acetone was significantly enhanced by graphene doping. It was found that the ZnO-G sensor exhibits remarkably enhanced response of 13.3 at the optimal operating temperature of 280 °C to 100 ppm acetone, an improvement from 7.7 with pure ZnO. PMID:27834870

  7. BIOGENIC SOURCES OF FORMALDEHYDE AND ACETALDEHYDE DURING SUMMER AND WINTER CONDITIONS

    EPA Science Inventory

    Photochemical modeling estimated contributions to ambient concentrations of formaldehyde and acetaldehyde from biogenic emissions over the continental United States during January 2001 (Eos Trans. AGU, 83(47), Fall Meet. Suppl., Abstract A52B-0117). Results showed that maximum co...

  8. Regional Sources of Atmospheric Formaldehyde and Acetaldehyde, and Implications for Atmospheric Modeling

    EPA Science Inventory

    Formaldehyde and acetaldehyde concentrations over the Eastern half of the United States are simulated with a 3-D air quality model to identify the most important chemical precursors under January and July conditions. We find that both aldehydes primarily result from photochemical...

  9. Development of industrial brewing yeast with low acetaldehyde production and improved flavor stability.

    PubMed

    Wang, Jinjing; Shen, Nan; Yin, Hua; Liu, Chunfeng; Li, Yongxian; Li, Qi

    2013-02-01

    Higher acetaldehyde concentration in beer is one of the main concerns of current beer industry in China. Acetaldehyde is always synthesized during beer brewing by the metabolism of yeast. Here, using ethanol as the sole carbon source and 4-methylpyrazole as the selection marker, we constructed a new mutant strain with lower acetaldehyde production and improved ethanol tolerance via traditional mutagenesis strategy. European Brewery Convention tube fermentation tests comparing the fermentation broths of mutant strain and industrial brewing strain showed that the acetaldehyde concentration of mutant strain was 81.67 % lower, whereas its resistant staling value was 1.0-fold higher. Owing to the mutation, the alcohol dehydrogenase activity of the mutant strain decreased to about 30 % of the wild-type strain. In the meantime, the fermentation performance of the newly screened strain has little difference compared with the wild-type strain, and there are no safety problems regarding the industrial usage of the mutant strain. Therefore, we suggest that the newly screened strain could be directly applied to brewing industry.

  10. Involvement of the endogenous opioid system in the psychopharmacological actions of ethanol: the role of acetaldehyde

    PubMed Central

    Font, Laura; Luján, Miguel Á.; Pastor, Raúl

    2013-01-01

    Significant evidence implicates the endogenous opioid system (EOS) (opioid peptides and receptors) in the mechanisms underlying the psychopharmacological effects of ethanol. Ethanol modulates opioidergic signaling and function at different levels, including biosynthesis, release, and degradation of opioid peptides, as well as binding of endogenous ligands to opioid receptors. The role of β-endorphin and µ-opioid receptors (OR) have been suggested to be of particular importance in mediating some of the behavioral effects of ethanol, including psychomotor stimulation and sensitization, consumption and conditioned place preference (CPP). Ethanol increases the release of β-endorphin from the hypothalamic arcuate nucleus (NArc), which can modulate activity of other neurotransmitter systems such as mesolimbic dopamine (DA). The precise mechanism by which ethanol induces a release of β-endorphin, thereby inducing behavioral responses, remains to be elucidated. The present review summarizes accumulative data suggesting that the first metabolite of ethanol, the psychoactive compound acetaldehyde, could participate in such mechanism. Two lines of research involving acetaldehyde are reviewed: (1) implications of the formation of acetaldehyde in brain areas such as the NArc, with high expression of ethanol metabolizing enzymes and presence of cell bodies of endorphinic neurons and (2) the formation of condensation products between DA and acetaldehyde such as salsolinol, which exerts its actions via OR. PMID:23914161

  11. 40 CFR 721.10662 - Acetaldehyde, substituted-, reaction products with 2-butyne-1, 4-diol (generic).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10662 Acetaldehyde, substituted-, reaction products with 2-butyne-1, 4-diol (generic). (a) Chemical substance and significant new...

  12. Determinations of ethanol, acetaldehyde and acetate in blood and urine during alcohol oxidation in man.

    PubMed

    Tsukamoto, S; Muto, T; Nagoya, T; Shimamura, M; Saito, M; Tainaka, H

    1989-01-01

    Blood and urine samples were analyzed for ethanol, acetaldehyde and acetate during alcohol oxidation in Japanese men by head space gas chromatography, following the consumption of 16 ml/kg of beer during a 20 min period. The maximum level of blood/urine ethanol was found to be 15-17 mM (20-22 mM), while that of acetaldehyde in a flusher and in non-flushers was 20 microM (52 microM) and 2-5 microM (10-13 microM), respectively. Acetate levels in these groups ranged from 0.2 mM (0.1 mM) to 0.8 mM (1.0 mM). Blood ethanol levels were dose dependent, whereas acetaldehyde and acetate levels reflected individual metabolic rates. The relative concentrations of ethanol and acetaldehyde in blood and that of acetate in alcohol metabolism could be summarized as follows: 7500 (15 mM): 1-3 (2-5 microM); 250-400 (0.5-0.8 mM) for non-flushers; and 7500 (15 mM): 5-10 (10-20 microM): 250-400 (0.5-0.8 mM) for a flusher.

  13. 40 CFR 721.10662 - Acetaldehyde, substituted-, reaction products with 2-butyne-1, 4-diol (generic).

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Acetaldehyde, substituted-, reaction...-, reaction products with 2-butyne-1, 4-diol (generic). (a) Chemical substance and significant new uses...-, reaction products with 2-butyne-1, 4-diol (PMN P-11-204) is subject to reporting under this section for...

  14. Inhibition by ethanol, acetaldehyde and trifluoroethanol of reactions catalysed by yeast and horse liver alcohol dehydrogenases.

    PubMed Central

    Dickenson, C J; Dickinson, F M

    1978-01-01

    1. Produced inhibition by ethanol of the acetaldehyde-NADH reaction, catalysed by the alcohol dehydrogenases from yeast and horse liver, was studied at 25 degrees C and pH 6-9. 2. The results with yeast alcohol dehydrogenase are generally consistent with the preferred-pathway mechanism proposed previously [Dickenson & Dickinson (1975) Biochem. J. 147, 303-311]. The observed hyperbolic inhibition by ethanol of the maximum rate of acetaldehyde reduction confirms the existence of the alternative pathway involving an enzyme-ethanol complex. 3. The maximum rate of acetaldehyde reduction with horse liver alcohol dehydrogenase is also subject to hyperbolic inhibition by ethanol. 4. The measured inhibition constants for ethanol provide some of the information required in the determination of the dissociation constant for ethanol from the active ternary complex. 5. Product inhibition by acetaldehyde of the ethanol-NAD+ reaction with yeast alcohol dehydrogenase was examined briefly. The results are consistent with the proposed mechanism. However, the nature of the inhibition of the maximum rate cannot be determined within the accessible range of experimental conditions. 6. Inhibition of yeast alcohol dehydrogenase by trifluoroethanol was studied at 25 degrees C and pH 6-10. The inhibition was competitive with respect to ethanol in the ethanol-NAD+ reaction. Estimates were made of the dissociation constant for trifluoroethanol from the enzyme-NAD+-trifluoroethanol complex in the range pH6-10. PMID:208509

  15. Single passive direct methanol fuel cell supplied with pure methanol

    NASA Astrophysics Data System (ADS)

    Feng, Ligang; Zhang, Jing; Cai, Weiwei; Liang, Liang; Xing, Wei; Liu, Changpeng

    2011-03-01

    A new single passive direct methanol fuel cell (DMFC) supplied with pure methanol is designed, assembled and tested using a pervaporation membrane (PM) to control the methanol transport. The effect of the PM size on the fuel cell performances and the constant current discharge of the fuel cell with one-fueling are studied. The results show that the fuel cell with PM 9 cm2 can yield a maximum power density of about 21 mW cm-2, and a stable performances at a discharge current of 100 mA can last about 45 h. Compared with DMFC supplied with 3 M methanol solution, the energy density provided by this new DMFC has increased about 6 times.

  16. Effect of Coadsorbed Water on the Photodecomposition of Acetone on TiO2(110)

    SciTech Connect

    Henderson, Michael A.

    2008-06-10

    The influence of coadsorbed water on the photodecomposition of acetone on TiO2 was examined using temperature programmed desorption (TPD) and the rutile TiO2(110) surface as a model photocatalyst. Of the two major influences ascribed to water in the heterogeneous photocatalysis literature (promotion via OH radical supply and inhibition due to site blocking), only the negative influence of water was observed. As long as the total water and acetone coverage was maintained well below the first layer saturation coverage (‘1 ML’), little inhibition of acetone photodecomposition was observed. However, as the total water+acetone coverage exceeded 1 ML, acetone was preferentially displaced from the first layer to physisorbed states by water and the extent of acetone photodecomposition attenuated. The displacement originated from water compressing acetone into high coverage regions where increased acetone-acetone repulsions caused displacement from the first layer. The immediate product of acetone photodecomposition was adsorbed acetate, which occupies twice as many surface sites per molecule as compared to acetone. Since the acetate intermediate was more stable on the TiO2(110) surface than either water or acetone (as gauged by TPD) and since its photodecomposition rate was less than that of acetone, additional surface sites were not opened up during acetone photodecomposition for previously displaced acetone molecules to re-enter the first layer. Results in this study suggest that increased molecular-level repulsions between organic molecules brought about by increased water coverage are as influential in the inhibiting effect of water on photooxidation rates as are water-organic repulsions.

  17. Pervaporation of ethanol and acetone above normal boiling temperatures

    SciTech Connect

    Windmoeller, D.; Galembeck, F. )

    1992-08-01

    Pervaporation experiments were performed at higher than normal feed liquid boiling temperatures by applying pressure to the feed compartment. Ethanol, acetone, and aqueous ethanol solutions were pervaporated through silicone rubber dense membranes. Large increases were observed in the permeate flow as the temperature rose above the liquid boiling temperature. Separation factors in aqueous ethanol pervaporation are not affected by these increases in permeate output, and they are in the same range as those obtained in conventional pervaporation.

  18. Reverse osmosis application for butanol-acetone fermentation

    SciTech Connect

    Garcia, A.; Iannotti, E.L.; Fischer, J.R.

    1984-01-01

    The problems of dilute solvent concentration in butanol-acetone fermentation can be solved by using reverse osmosis to dewater the fermentation liquor. Polyamide membranes exhibited butanol rejection rates as high as 85%. Optimum rejection of butanol occurs at a pressure of approximately 5.5 to 6.5 MPa and hydraulic recoveries of 50-70%. Flux ranged from 0.5 to 1.8 l.

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

    PubMed

    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).

  20. Methanol crossover in direct methanol fuel cell systems.

    SciTech Connect

    Pivovar, B. S.; Bender, G.; Davey, J. R.; Zelenay, P.

    2003-01-01

    Direct methanol fuel cells (DMFCs) are currently being investigated for a number of different applications from several milliwatts to near kilowatt size scales (cell phones, laptops, auxiliary power units, etc .). Because methanol has a very high energy density, over 6000 W hr/kg, a DMFC can possibly have greatly extended lifetimes compared to the batteries, doesn't present the storage problems associated with hydrogen fuel cells and can possibly operate more efficiently and cleanly than internal combustion engines.

  1. Pueraria lobata (Kudzu root) hangover remedies and acetaldehyde-associated neoplasm risk.

    PubMed

    McGregor, Neil R

    2007-11-01

    Recent introduction of several commercial Kudzu root (Pueraria lobata) containing hangover remedies has occurred in western countries. The available data is reviewed to assess if there are any potential concerns in relationship to the development of neoplasm if these products are used chronically. The herb Pueraria has two components that are used as traditional therapies; Pueraria lobata, the root based herb and Pueraria flos, the flower based herb. Both of these herbal components have different traditional claims and constituents. Pueraria flos, which enhances acetaldehyde removal, is the traditional hangover remedy. Conversely, Pueraria lobata is a known inhibitor of mitochondrial aldehyde dehydrogenase (ALDH2) and increases acetaldehyde. Pueraria lobata is being investigated for use as an aversion therapy for alcoholics due to these characteristics. Pueraria lobata is not a traditional hangover therapy yet has been accepted as the registered active component in many of these hangover products. The risk of development of acetaldehyde pathology, including neoplasms, is associated with genetic polymorphism with enhanced alcohol dehydrogenase (ADH) or reduced ALDH activity leading to increased acetaldehyde levels in the tissues. The chronic usage of Pueraria lobata at times of high ethanol consumption, such as in hangover remedies, may predispose subjects to an increased risk of acetaldehyde-related neoplasm and pathology. The guidelines for Disulfiram, an ALDH2 inhibitor, provide a set of guidelines for use with the herb Pueraria lobata. Pueraria lobata appears to be an inappropriate herb for use in herbal hangover remedies as it is an inhibitor of ALDH2. The recommendations for its use should be similar to those for the ALDH2 inhibitor, Disulfiram.

  2. Abundances of ethylene oxide and acetaldehyde in hot molecular cloud cores

    NASA Technical Reports Server (NTRS)

    Nummelin, A.; Dickens, J. E.; Bergman, P.; Hjalmarson, A.; Irvine, W. M.; Ikeda, M.; Ohishi, M.

    1998-01-01

    We have searched for millimetre-wave line emission from ethylene oxide (c-C2H4O) and its structural isomer acetaldehyde (CH3CHO) in 11 molecular clouds using SEST. Ethylene oxide and acetaldehyde were detected through multiple lines in the hot cores NGC 6334F, G327.3-0.6, G31.41+0.31, and G34.3+0.2. Acetaldehyde was also detected towards G10.47+0.03, G322.2+0.6, and Orion 3'N, and one ethylene oxide line was tentatively detected in G10.47+0.03. Column densities and rotational excitation temperatures were derived using a procedure which fits the observed line intensifies by finding the minimum chi 2-value. The resulting rotational excitation temperatures of ethylene oxide and acetaldehyde are in the range 16-38 K, indicating that these species are excited in the outer, cooler parts of the hot cores or that the excitation is significantly subthermal. For an assumed source size of 20", the deduced column densities are (0.6-1)x10(14) cm-2 for ethylene oxide and (2-5)x10(14) cm-2 for acetaldehyde. The fractional abundances with respect to H2 are X[c-C2H4O]=(2-6)xl0(-10), and X[CH3CHO]=(0.8-3)x10(-9). The ratio X[CH3CHO]/X[c-C2H4O] varies between 2.6 (NGC 6334F) and 8.5 (G327.3-0.6). We also detected and analysed multiple transitions of CH3OH, CH3OCH3, C2H5OH, and HCOOH. The chemical, and possibly evolutionary, states of NGC 6334F, G327.3-0.6, G31.41+0.31, and G34.3+0.2 seem to be very similar.

  3. Methanol Oxidation on Pt3Sn(111) for Direct Methanol Fuel Cells: Methanol Decomposition.

    PubMed

    Lu, Xiaoqing; Deng, Zhigang; Guo, Chen; Wang, Weili; Wei, Shuxian; Ng, Siu-Pang; Chen, Xiangfeng; Ding, Ning; Guo, Wenyue; Wu, Chi-Man Lawrence

    2016-05-18

    PtSn alloy, which is a potential material for use in direct methanol fuel cells, can efficiently promote methanol oxidation and alleviate the CO poisoning problem. Herein, methanol decomposition on Pt3Sn(111) was systematically investigated using periodic density functional theory and microkinetic modeling. The geometries and energies of all of the involved species were analyzed, and the decomposition network was mapped out to elaborate the reaction mechanisms. Our results indicated that methanol and formaldehyde were weakly adsorbed, and the other derivatives (CHxOHy, x = 1-3, y = 0-1) were strongly adsorbed and preferred decomposition rather than desorption on Pt3Sn(111). The competitive methanol decomposition started with the initial O-H bond scission followed by successive C-H bond scissions, (i.e., CH3OH → CH3O → CH2O → CHO → CO). The Brønsted-Evans-Polanyi relations and energy barrier decomposition analyses identified the C-H and O-H bond scissions as being more competitive than the C-O bond scission. Microkinetic modeling confirmed that the vast majority of the intermediates and products from methanol decomposition would escape from the Pt3Sn(111) surface at a relatively low temperature, and the coverage of the CO residue decreased with an increase in the temperature and decrease in partial methanol pressure.

  4. Formation of 2-propanol in condensed molecular films of acetaldehyde following electron impact ionisation-induced proton transfer*

    NASA Astrophysics Data System (ADS)

    Borrmann, Tobias; Swiderek, Petra

    2016-06-01

    Experimental studies on thin condensed layers of acetaldehyde have previously revealed that electron exposure at an energy above the ionisation threshold leads to formation of 2-propanol. However, the mechanism of this reaction remained unclear. Therefore, a computational approach is used to explore the electron-induced reactions of acetaldehyde yielding 2-propanol. Starting from hydrogen-bonded dimers of acetaldehyde we show that the initial ionisation event triggers proton transfer between the two acetaldehyde moieties resulting in a hydrogen-bonded complex of a [OCCH3] radical and a protonated acetaldehyde cation. Given an excess energy of up to 0.75 eV and a favourable arrangement, a methyl radical released upon dissociation of the CC bond within the [OCCH3] radical can migrate to the carbonyl carbon of the protonated acetaldehyde cation. This produces a 2-propanol radical cation and CO. Neutral 2-propanol is then obtained by recombination with a second electron. A mechanism involving ionisation-driven proton transfer is thus proposed as pathway to the formation of 2-propanol during electron exposure of condensed layers of acetaldehyde.

  5. Modeling of experimental treatment of acetaldehyde-laden air and phenol-containing water using corona discharge technique.

    PubMed

    Faungnawakij, Kajornsak; Sano, Noriaki; Charinpanitkul, Tawatchai; Tanthapanichakoon, Wiwut

    2006-03-01

    Acetaldehyde-laden air and phenol-contaminated water were experimentally treated using corona discharge reactions and gas absorption in a single water-film column. Mathematical modeling of the combined treatment was developed in this work. Efficient removal of the gaseous acetaldehyde was achieved while the corona discharge reactions produced short-lived species such as O and O- as well as ozone. Direct contact of the radicals and ions with water was known to produce aqueous OH radical, which contributes to the decomposition of organic contaminants: phenol, absorbed acetaldehyde, and intermediate byproducts in the water. The influence of initial phenol concentration ranging from 15 to 50 mg L(-1) and that of influent acetaldehyde ranging from 0 to 200 ppm were experimentally investigated and used to build the math model. The maximum energetic efficiency of TOC, phenol, and acetaldehyde were obtained at 25.6 x 10(-9) mol carbon J(-1), 25.0 x 10(-9) mol phenol J(-1), and 2.0 x 10(-9) mol acetaldehyde J(-1), respectively. The predictions for the decomposition of acetaldehyde, phenol, and their intermediates were found to be in good agreement with the experimental results.

  6. Methanol unity frays, discounting returns

    SciTech Connect

    Morris, G.D.L.

    1997-02-05

    This article reviews the price variation in methanol for February 1997 and how the company Methanex compares to other producers. The discrepancy between posting prices and transaction prices is noted.

  7. Molecular interaction forces in acetone + ethanol binary liquid solutions: FTIR and theoretical studies

    NASA Astrophysics Data System (ADS)

    Jadhav, Deepali L.; Karthick, N. K.; Kannan, P. P.; Shanmugam, R.; Elangovan, A.; Arivazhagan, G.

    2017-02-01

    FTIR spectra of neat acetone, ethanol and their binary solutions at the molar ratios 0.2:0.8 (ethanol: acetone), 0.4:0.6, 0.6:0.4 and 0.8:0.2 have been recorded at room temperature. Theoretical calculations have also been made on acetone (monomer and dimer), ethanol monomer, dimer, trimer, tetramer, pentamer, hexamer and ethanol - acetone complex molecules. 4:1 (ethanol:acetone), 5:1 and 6:2 complexation through the classical Cdbnd O⋯Hsbnd O and (acetone) Csbnd H⋯Osbnd C(ethanol) hydrogen bonds has been identified. Ethanol rich solutions may consist of ethanol multimers such as tetramer, pentamer and hexamer along with 4:1, 5:1 and 6:2 complex molecules depending upon ethanol concentration. Acetone seems to exist as a mixture of monomer and dimer.

  8. Improvement of 2,4-dinitrophenylhydrazine derivatization method for carbon isotope analysis of atmospheric acetone.

    PubMed

    Wen, Sheng; Yu, Yingxin; Guo, Songjun; Feng, Yanli; Sheng, Guoying; Wang, Xinming; Bi, Xinhui; Fu, Jiamo; Jia, Wanglu

    2006-01-01

    Through simulation experiments of atmospheric sampling, a method via 2,4-dinitrophenylhydrazine (DNPH) derivatization was developed to measure the carbon isotopic composition of atmospheric acetone. Using acetone and a DNPH reagent of known carbon isotopic compositions, the simulation experiments were performed to show that no carbon isotope fractionation occurred during the processes: the differences between the predicted and measured data of acetone-DNPH derivatives were all less than 0.5 per thousand. The results permitted the calculation of the carbon isotopic compositions of atmospheric acetone using a mass balance equation. In this method, the atmospheric acetone was collected by a DNPH-coated silica cartridge, washed out as acetone-DNPH derivatives, and then analyzed by gas chromatography/combustion/isotope ratio mass spectrometry (GC/C/IRMS). Using this method, the first available delta13C data of atmospheric acetone are presented.

  9. Calcium Channels and Oxidative Stress Mediate a Synergistic Disruption of Tight Junctions by Ethanol and Acetaldehyde in Caco-2 Cell Monolayers.

    PubMed

    Samak, Geetha; Gangwar, Ruchika; Meena, Avtar S; Rao, Roshan G; Shukla, Pradeep K; Manda, Bhargavi; Narayanan, Damodaran; Jaggar, Jonathan H; Rao, RadhaKrishna

    2016-12-13

    Ethanol is metabolized into acetaldehyde in most tissues. In this study, we investigated the synergistic effect of ethanol and acetaldehyde on the tight junction integrity in Caco-2 cell monolayers. Expression of alcohol dehydrogenase sensitized Caco-2 cells to ethanol-induced tight junction disruption and barrier dysfunction, whereas aldehyde dehydrogenase attenuated acetaldehyde-induced tight junction disruption. Ethanol up to 150 mM did not affect tight junction integrity or barrier function, but it dose-dependently increased acetaldehyde-mediated tight junction disruption and barrier dysfunction. Src kinase and MLCK inhibitors blocked this synergistic effect of ethanol and acetaldehyde on tight junction. Ethanol and acetaldehyde caused a rapid and synergistic elevation of intracellular calcium. Calcium depletion by BAPTA or Ca(2+)-free medium blocked ethanol and acetaldehyde-induced barrier dysfunction and tight junction disruption. Diltiazem and selective knockdown of TRPV6 or CaV1.3 channels, by shRNA blocked ethanol and acetaldehyde-induced tight junction disruption and barrier dysfunction. Ethanol and acetaldehyde induced a rapid and synergistic increase in reactive oxygen species by a calcium-dependent mechanism. N-acetyl-L-cysteine and cyclosporine A, blocked ethanol and acetaldehyde-induced barrier dysfunction and tight junction disruption. These results demonstrate that ethanol and acetaldehyde synergistically disrupt tight junctions by a mechanism involving calcium, oxidative stress, Src kinase and MLCK.

  10. Calcium Channels and Oxidative Stress Mediate a Synergistic Disruption of Tight Junctions by Ethanol and Acetaldehyde in Caco-2 Cell Monolayers

    PubMed Central

    Samak, Geetha; Gangwar, Ruchika; Meena, Avtar S.; Rao, Roshan G.; Shukla, Pradeep K.; Manda, Bhargavi; Narayanan, Damodaran; Jaggar, Jonathan H.; Rao, RadhaKrishna

    2016-01-01

    Ethanol is metabolized into acetaldehyde in most tissues. In this study, we investigated the synergistic effect of ethanol and acetaldehyde on the tight junction integrity in Caco-2 cell monolayers. Expression of alcohol dehydrogenase sensitized Caco-2 cells to ethanol-induced tight junction disruption and barrier dysfunction, whereas aldehyde dehydrogenase attenuated acetaldehyde-induced tight junction disruption. Ethanol up to 150 mM did not affect tight junction integrity or barrier function, but it dose-dependently increased acetaldehyde-mediated tight junction disruption and barrier dysfunction. Src kinase and MLCK inhibitors blocked this synergistic effect of ethanol and acetaldehyde on tight junction. Ethanol and acetaldehyde caused a rapid and synergistic elevation of intracellular calcium. Calcium depletion by BAPTA or Ca2+-free medium blocked ethanol and acetaldehyde-induced barrier dysfunction and tight junction disruption. Diltiazem and selective knockdown of TRPV6 or CaV1.3 channels, by shRNA blocked ethanol and acetaldehyde-induced tight junction disruption and barrier dysfunction. Ethanol and acetaldehyde induced a rapid and synergistic increase in reactive oxygen species by a calcium-dependent mechanism. N-acetyl-L-cysteine and cyclosporine A, blocked ethanol and acetaldehyde-induced barrier dysfunction and tight junction disruption. These results demonstrate that ethanol and acetaldehyde synergistically disrupt tight junctions by a mechanism involving calcium, oxidative stress, Src kinase and MLCK. PMID:27958326

  11. Indonesia to build methanol plant

    SciTech Connect

    Alperowicz, N.

    1992-08-05

    P.T. Kaltim Methanol Industri (Jakarta), a company set up to build a new methanol plant in Indonesia, expects to award contracts for the construction of a new plant, Indonesia's second methanol unit, by the end of this year. P.T. Kaltim Methanol is a private company owned by P.T. Humpuss, an industrial group active in transport, airlines, and shipping of LNG and methanol. The 2,000-m.t./day plant will be built at Bontang, Kalimantan Island, close to the fertilizer producer P.T. Pupuk Kaltim and near the country's largest natural gas reserves. The site is also a deepsea port, handy for transportation of ready product. Three groups are in discussions with the investor on plant supply as well as methanol offtake deals. They are H G/Kockner; John Brown/Davy/Lucky Goldstar, offering the ICI process independently; and Lurgi/Metallgesellschaft (MG), proposing the Lurgi process. At least 60% of the output is expected to be exported, and both ICI and MG are understood to be interested in selling product from the future plant. Japan, Southeast Asia, and the US are targeted.

  12. Acute methanol toxicity in minipigs

    SciTech Connect

    Dorman, D.C.; Dye, J.A.; Nassise, M.P.; Ekuta, J.; Bolon, B.

    1993-01-01

    The pig has been proposed as a potential animal model for methanol-induced neuro-ocular toxicosis in humans because of its low liver tetrahydrofolate levels and slower rate of formate metabolism compared to those of humans. To examine the validity of this animal model, 12 4-month-old female minipigs (minipig YU) were given a single oral dose of water or methanol at 1.0, 2.5, or 5.0 g/kg body wt by gavage (n = 3 pigs/dose). Dose-dependent signs of acute methanol intoxication, which included mild CNS depression, tremors, ataxia, and recumbency, developed within 0.5 to 2.0 hr, and resolved by 52 hr. Methanol- and formate-dosed pigs did not develop optic nerve lesions, toxicologically significant formate accumulation, or metabolic acidosis. Based on results following a single dose, female minipigs do not appear to be overtly sensitive to methanol and thus may not be a suitable animal model for acute methanol-induced neuroocular toxicosis.

  13. Global atmospheric budget of acetaldehyde: 3-D model analysis and constraints from in-situ and satellite observations

    NASA Astrophysics Data System (ADS)

    Millet, D. B.; Guenther, A.; Siegel, D. A.; Nelson, N. B.; Singh, H. B.; de Gouw, J. A.; Warneke, C.; Williams, J.; Eerdekens, G.; Sinha, V.; Karl, T.; Flocke, F.; Apel, E.; Riemer, D. D.; Palmer, P. I.; Barkley, M.

    2010-04-01

    We construct a global atmospheric budget for acetaldehyde using a 3-D model of atmospheric chemistry (GEOS-Chem), and use an ensemble of observations to evaluate present understanding of its sources and sinks. Hydrocarbon oxidation provides the largest acetaldehyde source in the model (128 Tg a-1, a factor of 4 greater than the previous estimate), with alkanes, alkenes, and ethanol the main precursors. There is also a minor source from isoprene oxidation. We use an updated chemical mechanism for GEOS-Chem, and photochemical acetaldehyde yields are consistent with the Master Chemical Mechanism. We present a new approach to quantifying the acetaldehyde air-sea flux based on the global distribution of light absorption due to colored dissolved organic matter (CDOM) derived from satellite ocean color observations. The resulting net ocean emission is 57 Tg a-1, the second largest global source of acetaldehyde. A key uncertainty is the acetaldehyde turnover time in the ocean mixed layer, with quantitative model evaluation over the ocean complicated by known measurement artifacts in clean air. Simulated concentrations in surface air over the ocean generally agree well with aircraft measurements, though the model tends to overestimate the vertical gradient. PAN:NOx ratios are well-simulated in the marine boundary layer, providing some support for the modeled ocean source. We introduce the Model of Emissions of Gases and Aerosols from Nature (MEGANv2.1) for acetaldehyde and ethanol and use it to quantify their net flux from living terrestrial plants. Including emissions from decaying plants the total direct acetaldehyde source from the land biosphere is 23 Tg a-1. Other terrestrial acetaldehyde sources include biomass burning (3 Tg a-1) and anthropogenic emissions (2 Tg a-1). Simulated concentrations in the continental boundary layer are generally unbiased and capture the spatial gradients seen in observations over North America, Europe, and tropical South America. However

  14. Global atmospheric budget of acetaldehyde: 3-D model analysis and constraints from in-situ and satellite observations

    NASA Astrophysics Data System (ADS)

    Millet, D. B.; Guenther, A.; Siegel, D. A.; Nelson, N. B.; Singh, H. B.; de Gouw, J. A.; Warneke, C.; Williams, J.; Eerdekens, G.; Sinha, V.; Karl, T.; Flocke, F.; Apel, E.; Riemer, D. D.; Palmer, P. I.; Barkley, M.

    2009-11-01

    We construct a global atmospheric budget for acetaldehyde using a 3-D model of atmospheric chemistry (GEOS-Chem), and use an ensemble of observations to evaluate present understanding of its sources and sinks. Hydrocarbon oxidation provides the largest acetaldehyde source in the model (130 Tg a-1), with alkanes, alkenes, ethanol, and isoprene the main precursors. We use an updated chemical mechanism for GEOS-Chem, and photochemical acetaldehyde yields are consistent with the Master Chemical Mechanism. We apply SeaWiFS satellite observations to define the global distribution of light absorption due to marine dissolved organic matter (DOM), and estimate the corresponding sea-to-air acetaldehyde flux based on measured photoproduction rates from DOM. The resulting net ocean emission is 58 Tg a-1, the second largest global source of acetaldehyde. Quantitative model evaluation over the ocean is complicated by known measurement artifacts in clean air. Simulated concentrations in surface air over the ocean generally agree well with aircraft measurements, though the model tends to overestimate the vertical gradient. PAN:NOx ratios are well-simulated in the marine boundary layer, providing some support for the modeled ocean source. A key uncertainty is the acetaldehyde turnover time in the ocean mixed layer. We introduce the Model of Emissions of Gases and Aerosols from Nature (MEGANv2.1) for acetaldehyde and ethanol and use it to quantify their net flux from living terrestrial plants. Including emissions from decaying plants the total direct acetaldehyde source from the land biosphere is 22 Tg a-1. Other terrestrial acetaldehyde sources include biomass burning (3 Tg a-1) and anthropogenic emissions (2 Tg a-1). Simulated concentrations in the continental boundary layer are generally unbiased and capture the spatial gradients seen in observations over North America, Europe, and tropical South America. However, the model underestimates acetaldehyde levels in urban outflow

  15. Insights into Acetone Photochemistry on Rutile TiO2(110). 1. Off-Normal CH3 Ejection from Acetone Diolate.

    SciTech Connect

    Petrik, Nikolay G.; Henderson, Michael A.; Kimmel, Gregory A.

    2015-06-04

    Thermal- and photon-stimulated reactions of acetone co-adsorbed with oxygen on rutile TiO2(110) surface are studied with infrared reflection-adsorption spectroscopy (IRAS) combined with temperature programmed desorption and angle-resolved photon stimulated desorption. IRAS results show that n2-acetone diolate ((CH3)2COO) is produced via thermally-activated reactions between the chemisorbed oxygen with co-adsorbed acetone. Formation of acetone diolate is also consistent with 18O / 16O isotopic exchange experiments. During UV irradiation at 30 K, CH3 radicals are ejected from the acetone diolate with a distribution that is peaked at .-. +- 66 degrees from the surface normal along the azimuth (i.e. perpendicular to the rows of bridging oxygen and Ti5c ions). This distribution is also consistent with the orientation of the C–CH3 bonds in the n2-acetone diolate on TiO2(110). The acetone diolate peaks disappear from the IRAS spectra after UV irradiation and new peaks are observed and associated with n2-acetate. The data presented here demonstrate direct signatures of the proposed earlier 2-step mechanism for acetone photooxidation on TiO2(110)

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

    PubMed

    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.

  17. Ion/molecule reactions of 2-chloro- and 2-bromopropene radical cations with methanol and ethanol--FT-ICR spectrometry and DFT calculations

    NASA Astrophysics Data System (ADS)

    Grützmacher, Hans-Friedrich; Büchner, Michael; Zipse, Hendrik

    2005-02-01

    Continuing the studies of ion/molecule reactions of haloalkene radical cations with nucleophiles, the reactions of the radical cations of 2-chloropropene, 1+, and 2-bromopropene. 2+, with methanol and ethanol, respectively, have been investigated by FT-ICR spectrometry and by computational analysis using DFT calculation (BHLYP/6-311 + G(2d,p)//BHLYP/6-31 + G(d) level). Only slow reactions (reaction efficiency <1%) are observed for 1+/methanol and 2+/methanol. Slow proton transfer is the main process for 1+/methanol besides minor addition of methanol to 1+ followed by loss of HCl or Cl. Addition of methanol accompanied by loss of Br is the exclusive process observed for 2+/methanol. In contrast, both 1+ and 2+ react efficiently with ethanol yielding protonated acetaldehyde as the exclusive (1+) or by far dominant (2+) primary reaction product. The computational analysis of these ion/molecule reactions shows that in the case of 1+/methanol and 2+/methanol all processes are either endothermic or blocked by large activation energies. Nonetheless, addition of methanol to the ionized CC double bond of 1+ or 2+ is exothermic, yielding in each case a pair of isomeric [beta]-distonic methoxonium ions. A new reaction mechanism has been found for the HX (X = Cl, Br) elimination from the less stable isomer of the distonic intermediates. Further, an energetically favorable transition state has been detected for hydrogen atom transfer from the [alpha]-CH2 group of alcohol to the halogenoalkene radical cations. These findings lead to a revised mechanism of the oxidation process and provide a plausible explanation for the excessive H/D exchange between 1+ and CD3OH during their slow reaction.

  18. Unusual case of methanol poisoning

    SciTech Connect

    Shapiro, L.; Henderson, M. . Dept. of Chemical Pathology); Madi, S.; Mellor, L. . Dept. of Medicine, and Pharmacy)

    1993-01-09

    A 31-year-old man with a history of alcohol abuse presented to the accident and emergency department complaining of blurred vision. 4 h previously he had drunk 300 mL de-icer fluid. Electrolytes, urea, creatinine, glucose, and blood-gas analysis were normal. Measured osmolality, however, was 368 mosmol/kg with a calculated osmolality of 300 mosmol/kg, which indicated a greatly increased osmolar gap. He was therefore given 150 mL whisky and admitted. Methanol was later reported as 200 mg/dL. Ethylene glycol was not detected, but another glycol, propylene glycol, was present at 47 mg/dL. 10 h after ingestion an intravenous infusion of ethanol was started and he was hemodialysed for 7 h. After dialysis he was given a further 100 mL whisky and the rate of ethanol infusion was reduced to 11 g per h. Methanol and ethanol were measured twice daily until methanol was under 10/mg/dL: The recommendation is that blood ethanol be maintained between 100 and 200 mg/dL during treatment of methanol poisoning. This concentration was not achieved, presumably because of the high rate of ethanol metabolism often found in alcoholics. Antifreeze solutions commonly contain methanol and ethylene glycol. Sometimes propylene glycol is substituted because it has properties similar to those of ethylene glycol but is less toxic. The authors postulate that propylene glycol inhibited the metabolism of methanol in the patient, thus sparing him from the toxic effects of methanol.

  19. A sensitivity analysis of key natural factors in the modeled global acetone budget

    NASA Astrophysics Data System (ADS)

    Brewer, J. F.; Bishop, M.; Kelp, M.; Keller, C. A.; Ravishankara, A. R.; Fischer, E. V.

    2017-02-01

    Acetone is one of the most abundant carbonyl compounds in the atmosphere, and it serves as an important source of HOx (OH + HO2) radicals in the upper troposphere and a precursor for peroxyacetyl nitrate. We present a global sensitivity analysis targeted at several major natural source and sink terms in the global acetone budget to find the input factor or factors to which the simulated acetone mixing ratio was most sensitive. The ranges of input factors were taken from literature. We calculated the influence of these factors in terms of their elementary effects on model output. Of the six factors tested here, the four factors with the highest contribution to total global annual model sensitivity are direct emissions of acetone from the terrestrial biosphere, acetone loss to photolysis, the concentration of acetone in the ocean mixed layer, and the dry deposition of acetone to ice-free land. The direct emissions of acetone from the terrestrial biosphere are globally important in determining acetone mixing ratios, but their importance varies seasonally outside the tropics. Photolysis is most influential in the upper troposphere. Additionally, the influence of the oceanic mixed layer concentrations are relatively invariant between seasons, compared to the other factors tested. Monoterpene oxidation in the troposphere, despite the significant uncertainties in acetone yield in this process, is responsible for only a small amount of model uncertainty in the budget analysis.

  20. Molybdenum disulfide catalyzed tungsten oxide for on-chip acetone sensing

    NASA Astrophysics Data System (ADS)

    Li, Hong; Ahn, Sung Hoon; Park, Sangwook; Cai, Lili; Zhao, Jiheng; He, Jiajun; Zhou, Minjie; Park, Joonsuk; Zheng, Xiaolin

    2016-09-01

    Acetone sensing is critical for acetone leak detection and holds a great promise for the noninvasive diagnosis of diabetes. It is thus highly desirable to develop a wearable acetone sensor that has low cost, miniature size, sub-ppm detection limit, great selectivity, as well as low operating temperature. In this work, we demonstrate a cost-effective on-chip acetone sensor with excellent sensing performances at 200 °C using molybdenum disulfide (MoS2) catalyzed tungsten oxide (WO3). The WO3 based acetone sensors are first optimized via combined mesoscopic nanostructuring and silicon doping. Under the same testing conditions, our optimized mesoporous silicon doped WO3 [Si:WO3(meso)] sensor shows 2.5 times better sensitivity with ˜1000 times smaller active device area than the state-of-art WO3 based acetone sensor. Next, MoS2 is introduced to catalyze the acetone sensing reactions for Si:WO3(meso), which reduces the operating temperature by 100 °C while retaining its high sensing performances. Our miniaturized acetone sensor may serve as a wearable acetone detector for noninvasive diabetes monitoring or acetone leakage detection. Moreover, our work demonstrates that MoS2 can be a promising nonprecious catalyst for catalytic sensing applications.

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

    PubMed

    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.

  2. Acetone PLIF concentration measurements in a submerged round turbulent jet

    NASA Astrophysics Data System (ADS)

    Kravtsov, Z. D.; Chikishev, L. M.; Dulin, V. M.

    2016-10-01

    Transport of passive scalar in near-field of a submerged turbulent jet, was studied experimentally by using the planar laser-induced fluorescence technique. The jet issued from a round pipe with the inner diameter and length of 21 mm and 700 mm, respectively. Three cases of Reynolds numbers were studied: Re=3000, 6000, and 9000. Vapor of acetone, mixed to the jet flow, served as a passive fluorescent tracer. The paper describes data processing utilized to convert intensity of fluorescence images to the instantaneous concentration.

  3. Acetaldehyde as an Intermediate in the Electroreduction of Carbon Monoxide to Ethanol on Oxide‐Derived Copper

    PubMed Central

    Bertheussen, Erlend; Verdaguer‐Casadevall, Arnau; Ravasio, Davide; Montoya, Joseph H.; Trimarco, Daniel B.; Roy, Claudie; Meier, Sebastian; Wendland, Jürgen; Nørskov, Jens K.

    2015-01-01

    Abstract Oxide‐derived copper (OD‐Cu) electrodes exhibit unprecedented CO reduction performance towards liquid fuels, producing ethanol and acetate with >50 % Faradaic efficiency at −0.3 V (vs. RHE). By using static headspace‐gas chromatography for liquid phase analysis, we identify acetaldehyde as a minor product and key intermediate in the electroreduction of CO to ethanol on OD‐Cu electrodes. Acetaldehyde is produced with a Faradaic efficiency of ≈5 % at −0.33 V (vs. RHE). We show that acetaldehyde forms at low steady‐state concentrations, and that free acetaldehyde is difficult to detect in alkaline solutions using NMR spectroscopy, requiring alternative methods for detection and quantification. Our results represent an important step towards understanding the CO reduction mechanism on OD‐Cu electrodes. PMID:26692282

  4. Acetaldehyde as an intermediate in the electroreduction of carbon monoxide to ethanol on oxide-derived copper

    SciTech Connect

    Bertheussen, Erlend; Verdaguer-Casadevall, Arnau; Ravasio, Davide; Montoya, Joseph H.; Trimarco, Daniel B.; Roy, Claudie; Meier, Sebastian; Wendland, Jürgen; Nørskov, Jens K.; Stephens, Ifan E. L.; Chorkendorff, Ib

    2015-12-21

    Oxide-derived copper (OD-Cu) electrodes exhibit unprecedented CO reduction performance towards liquid fuels, producing ethanol and acetate with >50 % Faradaic efficiency at -0.3 V (vs. RHE). By using static headspace-gas chromatography for liquid phase analysis, we identify acetaldehyde as a minor product and key intermediate in the electroreduction of CO to ethanol on OD-Cu electrodes. Acetaldehyde is produced with a Faradaic efficiency of ≈5 % at -0.33 V (vs. RHE). We show that acetaldehyde forms at low steady-state concentrations, and that free acetaldehyde is difficult to detect in alkaline solutions using NMR spectroscopy, requiring alternative methods for detection and quantification. Our results indicate an important step towards understanding the CO reduction mechanism on OD-Cu electrodes.

  5. Acetaldehyde as an intermediate in the electroreduction of carbon monoxide to ethanol on oxide-derived copper

    DOE PAGES

    Bertheussen, Erlend; Verdaguer-Casadevall, Arnau; Ravasio, Davide; ...

    2015-12-21

    Oxide-derived copper (OD-Cu) electrodes exhibit unprecedented CO reduction performance towards liquid fuels, producing ethanol and acetate with >50 % Faradaic efficiency at -0.3 V (vs. RHE). By using static headspace-gas chromatography for liquid phase analysis, we identify acetaldehyde as a minor product and key intermediate in the electroreduction of CO to ethanol on OD-Cu electrodes. Acetaldehyde is produced with a Faradaic efficiency of ≈5 % at -0.33 V (vs. RHE). We show that acetaldehyde forms at low steady-state concentrations, and that free acetaldehyde is difficult to detect in alkaline solutions using NMR spectroscopy, requiring alternative methods for detection and quantification.more » Our results indicate an important step towards understanding the CO reduction mechanism on OD-Cu electrodes.« less

  6. The role of acetaldehyde and glycerol in the adaptation to ethanol stress of Saccharomyces cerevisiae and other yeasts.

    PubMed

    Vriesekoop, Frank; Haass, Cornelia; Pamment, Neville B

    2009-05-01

    Ethanol inhibition is a commonly encountered stress condition during typical yeast fermentations and often results in reduced fermentation rates and production yields. While past studies have shown that acetaldehyde addition has a significant ameliorating effect on the growth of ethanol-stressed Saccharomyces cerevisiae, this study investigated the potential ameliorating effect of acetaldehyde on a wide range of ethanol-stressed yeasts. Acetaldehyde does not appear to be a universal ameliorating agent for yeasts exposed to ethanol stress. It is also shown that as a result of an ethanol stress, most yeasts rapidly produce glycerol as an alternative means of NAD(+) regeneration rather than having a specific requirement for glycerol. The results strongly suggest that both ethanol and acetaldehyde exposure have a direct effect on the cellular NAD(+)/NADH ratio, which can manifest itself as modulations in glycerol production.

  7. Acetaldehyde at clinically relevant concentrations inhibits inward rectifier potassium current I(K1) in rat ventricular myocytes.

    PubMed

    Bébarová, M; Matejovič, P; Šimurdová, M; Šimurda, J

    2015-01-01

    Considering the effects of alcohol on cardiac electrical behavior as well as the important role of the inward rectifier potassium current I(K1) in arrhythmogenesis, this study was aimed at the effect of acetaldehyde, the primary metabolite of ethanol, on I(K1) in rat ventricular myocytes. Acetaldehyde induced a reversible inhibition of I(K1) with IC(50) = 53.7+/-7.7 microM at -110 mV; a significant inhibition was documented even at clinically-relevant concentrations (at 3 microM by 13.1+/-3.0 %). The inhibition was voltage-independent at physiological voltages above -90 mV. The I(K1) changes under acetaldehyde may contribute to alcohol-induced alterations of cardiac electrophysiology, especially in individuals with a genetic defect of aldehyde dehydrogenase where the acetaldehyde level may be elevated.

  8. Rapid starting methanol reactor system

    DOEpatents

    Chludzinski, Paul J.; Dantowitz, Philip; McElroy, James F.

    1984-01-01

    The invention relates to a methanol-to-hydrogen cracking reactor for use with a fuel cell vehicular power plant. The system is particularly designed for rapid start-up of the catalytic methanol cracking reactor after an extended shut-down period, i.e., after the vehicular fuel cell power plant has been inoperative overnight. Rapid system start-up is accomplished by a combination of direct and indirect heating of the cracking catalyst. Initially, liquid methanol is burned with a stoichiometric or slightly lean air mixture in the combustion chamber of the reactor assembly. The hot combustion gas travels down a flue gas chamber in heat exchange relationship with the catalytic cracking chamber transferring heat across the catalyst chamber wall to heat the catalyst indirectly. The combustion gas is then diverted back through the catalyst bed to heat the catalyst pellets directly. When the cracking reactor temperature reaches operating temperature, methanol combustion is stopped and a hot gas valve is switched to route the flue gas overboard, with methanol being fed directly to the catalytic cracking reactor. Thereafter, the burner operates on excess hydrogen from the fuel cells.

  9. Methanol conversion to higher hydrocarbons

    SciTech Connect

    Tabak, S.A.

    1994-12-31

    Several indirect options exist for producing chemicals and transportation fuels from coal, natural gas, or biomass. All involve an initial conversion step to synthesis gas (CO and H{sub 2}). Presently, there are two commercial technologies for converting syngas to liquids: Fischer-Tropsch, which yields a range of aliphatic hydrocarbons with molecular weights determined by Schulz-Flory kinetics, and methanol synthesis. Mobil`s diversity of technology for methanol conversion gives the methanol synthesis route flexibility for production of either gasoline, distillate or chemicals. Mobil`s ZSM-5 catalyst is the key in several processes for producing chemicals and transportation fuels from methanol: MTO for light olefins, MTG for gasoline, MOGD for distillates. The MTG process has been commercialized in New Zealand since 1985, producing one-third of the country`s gasoline supply, while MTO and MOGD have been developed and demonstrated at greater than 100 BPD scale. This paper will discuss recent work in understanding methanol conversion chemistry and the various options for its use.

  10. Cytotoxicity and metabolic stress induced by acetaldehyde in human intestinal LS174T goblet-like cells.

    PubMed

    Elamin, Elhaseen; Masclee, Ad; Troost, Freddy; Dekker, Jan; Jonkers, Daisy

    2014-08-01

    There is compelling evidence indicating that ethanol and its oxidative metabolite acetaldehyde can disrupt intestinal barrier function. Apart from the tight junctions, mucins secreted by goblet cells provide an effective barrier. Ethanol has been shown to induce goblet cell injury associated with alterations in mucin glycosylation. However, effects of its most injurious metabolite acetaldehyde remain largely unknown. This study aimed to assess short-term effects of acetaldehyde (0, 25, 50, 75, 100 μM) on functional characteristics of intestinal goblet-like cells (LS174T). Oxidative stress, mitochondrial function, ATP, and intramitochondrial calcium (Ca(2+)) were assessed by dichlorofluorescein, methyltetrazolium, and bioluminescence, MitoTracker green and rhod-2 double-labeling. Membrane integrity and apoptosis were evaluated by measuring lactate dehydrogenase (LDH), caspase 3/7, and cleavage of cytokeratin 18 (CK18). Expression of mucin 2 (MUC2) was determined by cell-based ELISA. Acetaldehyde significantly increased reactive oxygen species generation and decreased mitochondrial function compared with negative controls (P < 0.05). In addition, acetaldehyde dose-dependently decreased ATP levels and induced intramitochondrial Ca(2+) accumulation compared with negative controls (P < 0.05). Furthermore, acetaldehyde induced LDH release and increased caspase3/7 activity and percentage of cells expressing cleaved CK18 and increased MUC2 protein expression compared with negative controls (P < 0.0001). ATP depletion and LDH release could be largely prevented by the antioxidant N-acetylcysteine, suggesting a pivotal role for oxidative stress. Our data demonstrate that acetaldehyde has distinct oxidant-dependent metabolic and cytotoxic effects on LS174T cells that can lead to induction of cellular apoptosis. These effects may contribute to acetaldehyde-induced intestinal barrier dysfunction and subsequently to liver injury.

  11. Photo-tautomerization of acetaldehyde to vinyl alcohol: a potential route to tropospheric acids.

    PubMed

    Andrews, Duncan U; Heazlewood, Brianna R; Maccarone, Alan T; Conroy, Trent; Payne, Richard J; Jordan, Meredith J T; Kable, Scott H

    2012-09-07

    Current atmospheric models underestimate the production of organic acids in the troposphere. We report a detailed kinetic model of the photochemistry of acetaldehyde (ethanal) under tropospheric conditions. The rate constants are benchmarked to collision-free experiments, where extensive photo-isomerization is observed upon irradiation with actinic ultraviolet radiation (310 to 330 nanometers). The model quantitatively reproduces the experiments and shows unequivocally that keto-enol photo-tautomerization, forming vinyl alcohol (ethenol), is the crucial first step. When collisions at atmospheric pressure are included, the model quantitatively reproduces previously reported quantum yields for photodissociation at all pressures and wavelengths. The model also predicts that 21 ± 4% of the initially excited acetaldehyde forms stable vinyl alcohol, a known precursor to organic acid formation, which may help to account for the production of organic acids in the troposphere.

  12. Permanent draft genome of acetaldehyde degradation bacterium, Shewanella sp. YQH10.

    PubMed

    Liu, Yang; Shang, Xiexie; Zeng, Runying

    2015-02-01

    Shewanella sp. YQH10 isolated from mangrove sediment, was a novel species of Shewanella, which has the ability to degrade acetaldehyde. Here, we present an annotated draft genome sequence of Shewanella sp. YQH10, which contains 4,215,794 bp with a G + C content of 48.1%. This information regarding the genetic basis of this bacterium can greatly advance our understanding of the physiology of this species.

  13. Inhibition of advanced glycation endproduct formation by acetaldehyde: role in the cardioprotective effect of ethanol.

    PubMed

    Al-Abed, Y; Mitsuhashi, T; Li, H; Lawson, J A; FitzGerald, G A; Founds, H; Donnelly, T; Cerami, A; Ulrich, P; Bucala, R

    1999-03-02

    Epidemiological studies suggest that there is a beneficial effect of moderate ethanol consumption on the incidence of cardiovascular disease. Ethanol is metabolized to acetaldehyde, a two-carbon carbonyl compound that can react with nucleophiles to form covalent addition products. We have identified a biochemical modification produced by the reaction of acetaldehyde with protein-bound Amadori products. Amadori products typically arise from the nonenzymatic addition of reducing sugars (such as glucose) to protein amino groups and are the precursors to irreversibly bound, crosslinking moieties called advanced glycation endproducts, or AGEs. AGEs accumulate over time on plasma lipoproteins and vascular wall components and play an important role in the development of diabetes- and age-related cardiovascular disease. The attachment of acetaldehyde to a model Amadori product produces a chemically stabilized complex that cannot rearrange and progress to AGE formation. We tested the role of this reaction in preventing AGE formation in vivo by administering ethanol to diabetic rats, which normally exhibit increased AGE formation and high circulating levels of the hemoglobin Amadori product, HbA1c, and the hemoglobin AGE product, Hb-AGE. In this model study, diabetic rats fed an ethanol diet for 4 weeks showed a 52% decrease in Hb-AGE when compared with diabetic controls (P < 0.001). Circulating levels of HbA1c were unaffected by ethanol, pointing to the specificity of the acetaldehyde reaction for the post-Amadori, advanced glycation process. These data suggest a possible mechanism for the so-called "French paradox," (the cardioprotection conferred by moderate ethanol ingestion) and may offer new strategies for inhibiting advanced glycation.

  14. The Distribution of Astronomical Aldehydes - the Case for Extended Emission of Acetaldehyde (CH3CHO).

    NASA Astrophysics Data System (ADS)

    Burkhardt, Andrew; Loomis, Ryan; Dollhopf, Niklaus M.; Corby, Joanna F.; Remijan, Anthony

    2014-06-01

    With the advent of new broadband spectral line interferometric observations, we can now begin to fully characterize the spectra and distribution of complex organic molecules that have been largely ignored since their original detections using single dish telescopes. First detected in 1973, acetaldehyde (CH_3CHO) has been detected in numerous sources including TMC-1, Sgr B2(N) and Orion KL (Gottlieb et al 1973; Mathews et al. 1984; Johansson et al. 1991); yet its distribution within these sources is still not well known. Unlike a number of other molecules observed in these regions, acetaldehyde is not observed to be concentrated in hot core regions toward Sgr B2(N), but to have an extended distribution, a trait shared by other aldehydes (Hollis et al. 2001; Chengalur and Kanekar, 2003). An extended distribution may indicate formation through gas phase ion molecule reactions, or that the distribution is a result of non-thermal processes liberating the molecule off grain surfaces. Meanwhile, a compact distribution may indicate warm grain surface chemistry with subsequent desorption by thermal processes. Spatial maps will also help determine abundance correlations with other related molecules such as formic acid, aiding in the investigation of formation routes. In this talk, we present multiple transition maps of acetaldehyde toward Orion KL using both CARMA and the ALMA Band 6 Science Verification data which show evidence of an extended distribution of acetaldehyde, suggesting a similar formation chemistry in Orion KL as suggested by Chengular and Kanekar (2003) towards Sgr B2(N). In addition, spatial correlations to other molecules in the region will be shown, possibly suggesting a common formation chemistry for some aldehydes.

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

    USGS Publications Warehouse

    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.

  16. Ethanol and acetaldehyde induce similar changes in extracellular levels of glutamate, taurine and GABA in rat anterior cingulate cortex.

    PubMed

    Zuo, Gong Cheng; Yang, Jing Yu; Hao, Yue; Dong, Ying Xu; Wu, Chun Fu

    2007-03-30

    It is controversial regarding to the roles of acetaldehyde and ethanol in the central nervous system. In the present study, the effects of acetaldehyde and ethanol on extracellular levels of glutamate, taurine and GABA in the anterior cingulate cortex (ACC) of freely moving rats were investigated by using the microdialysis technique coupled to high performance liquid chromatography (HPLC) with fluorescent detection. The result showed that glutamate levels were significantly decreased after acute administration of acetaldehyde (AcH, 20 and 100 mg/kg, i.p.), while taurine levels were significantly increased after the higher dose of acetaldehyde (100 mg/kg, i.p.). GABA levels had no changes at any doses of acetaldehyde tested. Interestingly, similar changes of these amino acids were induced by ethanol (EtOH, 3 g/kg, i.p.) when sodium azide (NaN3, 10 mg/kg, i.p.), a catalase inhibitor that can reduce brain ethanol metabolism, was used simultaneously. These findings suggest that acetaldehyde and ethanol have the similar effects on the extracellular output of glutamate, taurine and GABA in the ACC.

  17. Pretreatment of rice straw using a butanone or an acetaldehyde dilute solution explosion for producing ethanol.

    PubMed

    Zhang, Jian; Zhang, Wen-Xue; Yang, Jian; Liu, Yue-Hong; Zhong, Xia; Wu, Zheng-Yun; Kida, Kenji; Deng, Yu

    2012-04-01

    Ethanol conversion from rice straw using butanone and acetaldehyde dilute solution explosions was evaluated based on the optimization of pure water explosion. To decrease residual inhibitor content, the exploded slurry was dried and investigated at different temperature. Using a 0.9-mol/L butanone solution explosion, with the explosion pressure set at 3.1 MPa, the residence time at 7 min, the dried rice straw-to-water ratio at 1:3 (w/w), and the exploded slurry drying temperuture at 90 °C for 8 h, the yields of total sugar, glucose, and xylose were 85%, 88%, 82% (w/w), respectively, and the ethanol productivity was 26.0 g/100 g rice straw dry matter. Moreover, 0.5-mol/L acetaldehyde dilute solution explosion improved the efficiency of enzymatic hydrolysis (EH) and simultaneous saccharification and co-fermentation (SSCF), and the residual inhibitors had negligible effects on EH and SSCF after detoxification by drying. The results suggested that compared with pure water explosions, the use of butanone and of acetaldehyde dilute solution explosions lowered the explosive temperature and improved the sugar yield, although relative crystallinity of the rice straw dry matter was increased after the explosion.

  18. Acetaldehyde Oxime, A Product Formed during the In Vivo Nitrate Reductase Assay of Soybean Leaves 1

    PubMed Central

    Mulvaney, Charlene S.; Hageman, Richard H.

    1984-01-01

    Evolution of nitrogen oxides (NO(x), primarily as nitric oxide) from soybean (Glycine max [L.] Merr.) leaves during purged in vivo nitrate reductase assays had been reported; however, these reports were based on a method that had been used for determination of NO(x) in air. This method also detects other N compounds. Preliminary work led us to doubt that the evolved N was nitric oxide. Studies were undertaken to identify the N compound evolved from the in vivo assay that had been reported as NO(x). Material for identification was obtained by cryogenic trapping and fractional distillation, and by chemical trapping procedures. Mass spectrometry, ultraviolet spectroscopy, and 15N-labeled nitrate were used to identify the compounds evolved and to determine whether these compounds were derived from nitrate. Acetaldehyde oxime was identified as the predominant N compound evolved and this compound is readily detected by the method for NO(x) determination. Substantial quantities of acetaldehyde oxime (16.2 micromoles per gram fresh weight per hour) were evolved during the in vivo assay. Small amounts of nitrous oxide (0.63 micrograms N per gram fresh weight per hour) were evolved, but this compound is not detected as NO(x). Acetaldehyde oxime and nitrous oxide were both produced as a result of nitrate (15NO3−) reduction during the assay. PMID:16663781

  19. Cholesterol Enhances the Toxic Effect of Ethanol and Acetaldehyde in Primary Mouse Hepatocytes

    PubMed Central

    López-Islas, Anayelly; Chagoya-Hazas, Victoria; Pérez-Aguilar, Benjamin; Palestino-Domínguez, Mayrel; Souza, Verónica; Miranda, Roxana U.; Bucio, Leticia; Gómez-Quiroz, Luis Enrique; Gutiérrez-Ruiz, María-Concepción

    2016-01-01

    Obesity and alcohol consumption are risk factors for hepatic steatosis, and both commonly coexist. Our objective was to evaluate the effect of ethanol and acetaldehyde on primary hepatocytes obtained from mice fed for two days with a high cholesterol (HC) diet. HC hepatocytes increased lipid and cholesterol content. HC diet sensitized hepatocytes to the toxic effect of ethanol and acetaldehyde. Cyp2E1 content increased with HC diet, as well as in those treated with ethanol or acetaldehyde, while the activity of this enzyme determined in microsomes increased in the HC and in all ethanol treated hepatocytes, HC and CW. Oxidized proteins were increased in the HC cultures treated or not with the toxins. Transmission electron microscopy showed endoplasmic reticulum (ER) stress and megamitochondria in hepatocytes treated with ethanol as in HC and the ethanol HC treated hepatocytes. ER stress determined by PERK content was increased in ethanol treated hepatocytes from HC mice and CW. Nuclear translocation of ATF6 was observed in HC hepatocytes treated with ethanol, results that indicate that lipids overload and ethanol treatment favor ER stress. Oxidative stress, ER stress, and mitochondrial damage underlie potential mechanisms for increased damage in steatotic hepatocyte treated with ethanol. PMID:26788255

  20. Biochemical retrosynthesis of 2'-deoxyribonucleosides from glucose, acetaldehyde, and a nucleobase.

    PubMed

    Horinouchi, Nobuyuki; Ogawa, Jun; Kawano, Takako; Sakai, Takafumi; Saito, Kyota; Matsumoto, Seiichiro; Sasaki, Mie; Mikami, Yoichi; Shimizu, Sakayu

    2006-08-01

    2'-Deoxyribonucleosides are important as building blocks for the synthesis of antisense drugs, antiviral nucleosides, and 2'-deoxyribonucleotides for polymerase chain reaction. The microbial production of 2'-deoxyribonucleosides from simple materials, glucose, acetaldehyde, and a nucleobase, through the reverse reactions of 2'-deoxyribonucleoside degradation and the glycolytic pathway, was investigated. The glycolytic pathway of baker's yeast yielded fructose 1,6-diphosphate from glucose using the energy of adenosine 5'-triphosphate generated from adenosine 5'-monophosphate through alcoholic fermentation with the yeast. Fructose 1,6-diphosphate was further transformed to 2-deoxyribose 5-phosphate in the presence of acetaldehyde by deoxyriboaldolase-expressing Escherichia coli cells via D-glyceraldehyde 3-phosphate. E. coli transformants expressing phosphopentomutase and nucleoside phosphorylase produced 2'-deoxyribonucleosides from 2-deoxyribose 5-phosphate and a nucleobase via 2-deoxyribose 1-phosphate through the reverse reactions of 2'-deoxyribonucleoside degradation. Coupling of the glycolytic pathway and deoxyriboaldolase-catalyzing reaction efficiently supplied 2-deoxyribose 5-phosphate, which is a key intermediate for 2'-deoxyribonucleoside synthesis. 2'-Deoxyinosine (9.9 mM) was produced from glucose, acetaldehyde, and adenine through three-step reactions via fructose 1,6-diphosphate and then 2-deoxyribose 5-phosphate, the molar yield as to glucose being 17.8%.

  1. Cholesterol Enhances the Toxic Effect of Ethanol and Acetaldehyde in Primary Mouse Hepatocytes.

    PubMed

    López-Islas, Anayelly; Chagoya-Hazas, Victoria; Pérez-Aguilar, Benjamin; Palestino-Domínguez, Mayrel; Souza, Verónica; Miranda, Roxana U; Bucio, Leticia; Gómez-Quiroz, Luis Enrique; Gutiérrez-Ruiz, María-Concepción

    2016-01-01

    Obesity and alcohol consumption are risk factors for hepatic steatosis, and both commonly coexist. Our objective was to evaluate the effect of ethanol and acetaldehyde on primary hepatocytes obtained from mice fed for two days with a high cholesterol (HC) diet. HC hepatocytes increased lipid and cholesterol content. HC diet sensitized hepatocytes to the toxic effect of ethanol and acetaldehyde. Cyp2E1 content increased with HC diet, as well as in those treated with ethanol or acetaldehyde, while the activity of this enzyme determined in microsomes increased in the HC and in all ethanol treated hepatocytes, HC and CW. Oxidized proteins were increased in the HC cultures treated or not with the toxins. Transmission electron microscopy showed endoplasmic reticulum (ER) stress and megamitochondria in hepatocytes treated with ethanol as in HC and the ethanol HC treated hepatocytes. ER stress determined by PERK content was increased in ethanol treated hepatocytes from HC mice and CW. Nuclear translocation of ATF6 was observed in HC hepatocytes treated with ethanol, results that indicate that lipids overload and ethanol treatment favor ER stress. Oxidative stress, ER stress, and mitochondrial damage underlie potential mechanisms for increased damage in steatotic hepatocyte treated with ethanol.

  2. Risk assessment for the Italian population of acetaldehyde in alcoholic and non-alcoholic beverages.

    PubMed

    Paiano, Viviana; Bianchi, Giancarlo; Davoli, Enrico; Negri, Eva; Fanelli, Roberto; Fattore, Elena

    2014-07-01

    Acetaldehyde is a naturally-occurring carcinogenic compound, present in different food items, especially in alcoholic beverages. The aims of this study were to measure acetaldehyde concentration in different beverages consumed in Italy and to estimate the potential cancer risk. The analytical procedure was based on headspace solid-phase microextraction (SPME) and gas chromatography-mass spectrometry (GC-MS), using the isotopic dilution method. The margin of exposure (MOE) approach of the European Food Safety Authority (EFSA) was used for risk characterisation. The highest concentrations (median, min-max) were detected in grappa samples (499, 23.4-1850mg/l), followed by fruit-based liqueurs and spirits (62.0, 5.23-483mg/l) and wine (68.0, 18.1-477mg/l); the lowest were detected in gin (0.91, 0.78-1.90mg/l). The lowest MOE was estimated for high wine consumers (69). These results suggest that regulatory measures and consumer guidance may be necessary for acetaldehyde in beverages.

  3. Acetaldehyde and retinaldehyde-metabolizing enzymes in colon and pancreatic cancers.

    PubMed

    Singh, S; Arcaroli, J; Thompson, D C; Messersmith, W; Vasiliou, V

    2015-01-01

    Colorectal cancer (CRC) and pancreatic cancer are two very significant contributors to cancer-related deaths. Chronic alcohol consumption is an important risk factor for these cancers. Ethanol is oxidized primarily by alcohol dehydrogenases to acetaldehyde, an agent capable of initiating tumors by forming adducts with proteins and DNA. Acetaldehyde is metabolized by ALDH2, ALDH1B1, and ALDH1A1 to acetate. Retinoic acid (RA) is required for cellular differentiation and is known to arrest tumor development. RA is synthesized from retinaldehyde by the retinaldehyde dehydrogenases, specifically ALDH1A1, ALDH1A2, ALDH1A3, and ALDH8A1. By eliminating acetaldehyde and generating RA, ALDHs can play a crucial regulatory role in the initiation and progression of cancers. ALDH1 catalytic activity has been used as a biomarker to identify and isolate normal and cancer stem cells; its presence in a tumor is associated with poor prognosis in colon and pancreatic cancer. In summary, these ALDHs are not only biomarkers for CRC and pancreatic cancer but also play important mechanistic role in cancer initiation, progression, and eventual prognosis.

  4. Synthesis of nanoporous carbohydrate metal-organic framework and encapsulation of acetaldehyde

    NASA Astrophysics Data System (ADS)

    Al-Ghamdi, Saleh; Kathuria, Ajay; Abiad, Mohamad; Auras, Rafael

    2016-10-01

    Gamma cyclodextrin (γ-CD) metal organic frameworks (CDMOFs) were synthesized by coordinating γ-CDs with potassium hydroxide (KOH), referred hereafter as CDMOF-a, and potassium benzoate (C7H5KO2), denoted as CDMOF-b. The obtained CDMOF structures were characterized using nitrogen sorption isotherm, thermo-gravimetric analysis (TGA), X-ray diffraction (XRD), and scanning electron microscopy (SEM). High surface areas were achieved by the γ-CD based MOF structures where the Langmuir specific surface areas (SSA) of CDMOF-a and CDMOF-b were determined as 1376 m2 g-1 and 607 m2 g-1; respectively. The dehydrated CDMOF structures demonstrated good thermal stability up to 250 °C as observed by the TGA studies. XRD results for CDMOF-a and CDMOF-b reveal a body centered-cubic (BCC) and trigonal crystal system; respectively. Due to its accessible porous structure and high surface area, acetaldehyde was successfully encapsulated in CDMOF-b. During the release kinetic studies, we observed peak release of 53 μg of acetaldehyde per g of CDMOF-b, which was 100 times greater than previously reported encapsulation in β-CD. However, aldol condensation reaction occurred during encapsulation of acetaldehyde into CDMOF-a. This research work demonstrates the potential to encapsulate volatile organic compounds in CDMOF-b, and their associated release for applications including food, pharmaceuticals and packaging.

  5. Acetaldehyde and Retinaldehyde-Metabolizing Enzymes in Colon and Pancreatic cancers

    PubMed Central

    Singh, S; Arcaroli, J; Thompson, DC; Messersmith, W; Vasiliou, V

    2015-01-01

    Colorectal (CRC) and pancreatic cancers are two very significant contributors to cancer-related deaths. Chronic alcohol consumption is an important risk factor for these cancers. Ethanol is oxidized primarily by alcohol dehydrogenases to acetaldehyde, an agent capable of initiating tumors by forming adducts with proteins and DNA. Acetaldehyde is metabolized by ALDH2, ALDH1B1 and ALDH1A1 to acetate. Retinoic acid (RA) is required for cellular differentiation and is known to arrest tumor development. RA is synthesized from retinaldehyde by the retinaldehyde dehydrogenases, specifically ALDH1A1, ALDH1A2, ALDH1A3 and ALDH8A1. By eliminating acetaldehyde and generating RA, ALDHs can play a crucial regulatory role in the initiation and progression of cancers. ALDH1 catalytic activity has been used as a biomarker to identify and isolate normal and cancer stem cells; its presence in a tumor is associated with poor prognosis in colon and pancreatic cancer. In summary, these ALDHs are not only biomarkers for CRC and pancreatic cancer but also play important mechanistic role in cancer initiation, progression and eventual prognosis. PMID:25427913

  6. The Effect of Fluorocarbon Surfactant Additives on the Effective Viscosity of Acetone Solutions of Cellulose Diacetate,

    DTIC Science & Technology

    2014-09-26

    34 FOREIGN TECHNOLOGY DIVISION i00 Lfl .. THE EFFECT OF FLUOROCARBON SURFACTANT ADDITIVES ON THE EFFECTIVE VISCOSITY OF ACETONE SOLUTIONS OF CELLULOSE...ADDITIVES ON TH~ .. t- ’_ ition EFFECTIVE VISCOSITY OF ACETONE SOLUTIONS OF CELLULOSE DIACETATE D~rbt~l By: L.A. Shits, N. Yu. Kal’nova Codesuton English...VISCOSITY OF ACETONE SOLUTIONS OF CELLULOSE DIACETATE L. A. Shits, N. Yu. Kal’nova (Institute of Physical Chemistry of the AS USSR, Moscow) ! - The

  7. Application of LaserBreath-001 for breath acetone measurement in subjects with diabetes mellitus

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

    Breath acetone is a promising biomarker of diabetes mellitus. With an integrated standalone, on-site cavity ringdown breath acetone analyzer, LaserBreath-001, we tested breath samples from 23 type 1 diabetic (T1D) patients, 312 type 2 diabetic (T2D) patients, 52 healthy subjects. In the cross-sectional studies, the obtained breath acetone concentrations were higher in the diabetic subjects compared with those in the control group. No correlation between breath acetone and simultaneous BG was observed in the T1D, T2D, and healthy subjects. A moderate positive correlation between the mean individual breath acetone concentrations and the mean individual BG levels was observed in the 20 T1D patients without ketoacidosis. In a longitudinal study, the breath acetone concentrations in a T1D patient with ketoacidosis decreased significantly and remained stable during the 5-day hospitalization. The results from a relatively large number of subjects tested indicate that an elevated mean breath acetone concentration exists in diabetic patients in general. Although many physiological parameters affect breath acetone concentrations, fast (<1 min) and on site breath acetone measurement can be used for diabetic screening and management under a specifically controlled condition.

  8. Fluorometric biosniffer (biochemical gas sensor) for breath acetone as a volatile indicator of lipid metabolism

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

    A fluorometric acetone biosniffer (biochemical gas sensor) for assessment of lipid metabolism utilizing reverse reaction of secondary alcohol dehydrogenase was constructed and evaluated. The biosniffer showed highly sensitivity and selectivity for continuous monitoring of gaseous acetone. The measurement of breath acetone concentration during fasting and aerobic exercise were also investigated. The acetone biosniffer provides a novel analytical tool for noninvasive evaluation of human lipid metabolism and it is also expected to use for the clinical and physiological applications such as monitoring the progression of diabetes.

  9. Isobutanol-methanol mixtures from synthesis gas. Quarterly technical progress report, October 1--December 31, 1995

    SciTech Connect

    Iglesia, E.

    1996-01-10

    A series of Cu{sub 0.5}CeMe(II)O{sub x} catalysts (Me refers to Group II alkali earth elements) have been prepared by coprecipitating the corresponding metal nitrates with potassium carbonate. The bulk composition of the catalyst has been determined by atomic absorption (AA) analysis. High-pressure isobutanol synthesis studies have been carried out over a standard BASF Cs-promoted Cu/ZnO/Al{sub 2}O{sub 3} catalyst. At a CO conversion level of 32%, the isobutanol carbon selectivity is about 5%; whereas that of methanol is 40.2%. A 100% selectivity sum has now been obtained as a result of using response factors measured by the laboratory. The reactions of ethanol and acetic acid over a number of catalysts have been investigated using a temperature programmed surface reaction (TPSR) technique. Ethanol and acetone are the only desorption products observed over Cs-promoted Cu/ZnO/Al{sub 2}O{sub 3} catalysts. Surface acetate ion is believed to be the precursor for acetone formation. Over calcined hydrotalcites, i.e., MgO/Al{sub 2}O{sub 3}, ethylene is formed instead of acetone. The amount of ethylene formed decreases as Mg/Al ratio increases, suggesting a role of aluminum ions in ethanol dehydration reactions.

  10. Near-infrared (NIR) study of hydrogen bonding of methanol molecules in polar and nonpolar solvents: an approach from concentration-dependent molar absorptivity.

    PubMed

    Mikami, Yuho; Ikehata, Akifumi; Hashimoto, Chihiro; Ozaki, Yukihiro

    2014-01-01

    Differences in the hydrogen-bonding states of methanol in polar and nonpolar solvents were studied by using the first overtone of O-H stretching vibrations observed in the near-infrared (NIR) band ranging from 7500 to 6000 cm(-1). To eliminate the absorption of solvents, NIR-inactive nonpolar solvents carbon tetrachloride (CCl4) and tetrachloroethylene (C2Cl4) were chosen, along with deuterium-substituted polar solvents acetone-d6, acetonitrile-d3, 1,4-dioxane-d8, and tetrahydrofuran (THF)-d8. The changes in the hydrogen-bonding states of methanol during mixing with the solvents were estimated using the extended molar absorption spectrum, which was defined as the concentration difference. The extended molar absorption spectra in different concentrations were decomposed into a finite number of independent factors using a multivariate curve resolution-alternating least squares calculation. Two and three such factors were sufficient to reproduce the extended molar absorption spectra for the nonpolar and polar solvents, respectively. The detailed assignments of each factor were estimated using the calculated loadings and scores. A similarity analysis was also applied to the extended molar absorption spectra of methanol and effectively quantified the deviation from the spectrum of pure methanol. The methanol and solvent affinities were also compared.

  11. Air Breathing Direct Methanol Fuel Cell

    DOEpatents

    Ren; Xiaoming

    2003-07-22

    A method for activating a membrane electrode assembly for a direct methanol fuel cell is disclosed. The method comprises operating the fuel cell with humidified hydrogen as the fuel followed by running the fuel cell with methanol as the fuel.

  12. Fatal methanol poisoning: features of liver histopathology.

    PubMed

    Akhgari, Maryam; Panahianpour, Mohammad Hadi; Bazmi, Elham; Etemadi-Aleagha, Afshar; Mahdavi, Amirhosein; Nazari, Saeed Hashemi

    2013-03-01

    Methanol poisoning has become a considerable problem in Iran. Liver can show some features of poisoning after methanol ingestion. Therefore, our concern was to examine liver tissue histopathology in fatal methanol poisoning cases in Iranian population. In this study, 44 cases of fatal methanol poisoning were identified in a year. The histological changes of the liver were reviewed. The most striking features of liver damage by light microscopy were micro-vesicular steatosis, macro-vesicular steatosis, focal hepatocyte necrosis, mild intra-hepatocyte bile stasis, feathery degeneration and hydropic degeneration. Blood and vitreous humor methanol concentrations were examined to confirm the proposed history of methanol poisoning. The majority of cases were men (86.36%). In conclusion, methanol poisoning can cause histological changes in liver tissues. Most importantly in cases with mean blood and vitreous humor methanol levels greater than 127 ± 38.9 mg/dL more than one pathologic features were detected.

  13. Involvement of acetaldehyde in seed deterioration of some recalcitrant woody species through the acceleration of aerobic respiration.

    PubMed

    Akimoto, Toshiyuki; Cho, Shinya; Yoshida, Hiroshi; Furuta, Hiroaki; Esashi, Yohji

    2004-02-01

    The rate of acetaldehyde (Ald) evolution in the deterioration of recalcitrant woody seeds was investigated. Four plant species, Ligustrum japonicum, Quercus serrata, Quercus myrsinaefolia and Camellia japonica, were used for the experiments. Similar to orthodox seeds, all of the recalcitrant seeds used contained Ald in addition to methanol and ethanol, although the amount of Ald in Camellia, a typical oil seed, was very small. These volatiles were accumulated in a container in which Ligustrum and Q. serrata seeds were stored for a short period. Moreover, all of the seeds that had been previously exposed to Ald for only 6 d at 3 or 13 degrees C lost their vigor rapidly in proportion to the concentration of Ald. The occasional removal by decompression of Ald accumulated in the container prolonged the life span of Q. serrata seeds from 4 to 6 months. These findings suggest that a short life span of the hydrated recalcitrant seeds may involve Ald synthesis as in the orthodox seeds. However, the action mechanism of Ald in Ligustrum and Quercus seeds in which storage substances were polysaccharides seems to differ slightly from that in orthodox seeds, because their aerobic respiration was significantly stimulated by exposure to exogenously applied Ald. It was, therefore, thought that the rapid deterioration of some recalcitrant seeds in woody species may result from a decline in vigor, not only due to the denaturation of functional proteins by Ald as in the orthodox seeds but also due to the rapid consumption of direct substrates for the Ald-stimulated aerobic respiration and related co-enzymes within seeds. In contrast, in the oil-bearing Camellia seeds, Ald was slightly produced and their aerobic respiration was not enhanced by Ald, although they were very sensitive to Ald. Desiccation storage of Camellia seeds caused the deterioration of their outer part, which was accelerated by exogenously applied Ald, which suggests that in Camellia Ald acts only to denature the

  14. Expression of Clostridium acetobutylicum ATCC 824 Genes in Escherichia coli for Acetone Production and Acetate Detoxification

    PubMed Central

    Bermejo, Lourdes L.; Welker, Neil E.; Papoutsakis, Eleftherios T.

    1998-01-01

    A synthetic acetone operon (ace4) composed of four Clostridium acetobutylicum ATCC 824 genes (adc, ctfAB, and thl, coding for the acetoacetate decarboxylase, coenzyme A transferase, and thiolase, respectively) under the control of the thl promoter was constructed and was introduced into Escherichia coli on vector pACT. Acetone production demonstrated that ace4 is expressed in E. coli and resulted in the reduction of acetic acid levels in the fermentation broth. Since different E. coli strains vary significantly in their growth characteristics and acetate metabolism, ace4 was expressed in three E. coli strains: ER2275, ATCC 11303, and MC1060. Shake flask cultures of MC1060(pACT) produced ca. 2 mM acetone, while both strains ER2275(pACT) and ATCC 11303(pACT) produced ca. 40 mM acetone. Glucose-fed cultures of strain ATCC 11303(pACT) resulted in a 150% increase in acetone titers compared to those of batch shake flask cultures. External addition of sodium acetate to glucose-fed cultures of ATCC 11303(pACT) resulted in further increased acetone titers. In bioreactor studies, acidic conditions (pH 5.5 versus 6.5) improved acetone production. Despite the substantial acetone evaporation due to aeration and agitation in the bioreactor, 125 to 154 mM acetone accumulated in ATCC 11303(pACT) fermentations. These acetone titers are equal to or higher than those produced by wild-type C. acetobutylicum. This is the first study to demonstrate the ability to use clostridial genes in nonclostridial hosts for solvent production. In addition, acetone-producing E. coli strains may be useful hosts for recombinant protein production in that detrimental acetate accumulation can be avoided. PMID:9501448

  15. Evaluating the Potential Importance of Monoterpene Degradation for Global Acetone Production

    NASA Astrophysics Data System (ADS)

    Kelp, M. M.; Brewer, J.; Keller, C. A.; Fischer, E. V.

    2015-12-01

    Acetone is one of the most abundant volatile organic compounds (VOCs) in the atmosphere, but estimates of the global source of acetone vary widely. A better understanding of acetone sources is essential because acetone serves as a source of HOx in the upper troposphere and as a precursor to the NOx reservoir species peroxyacetyl nitrate (PAN). Although there are primary anthropogenic and pyrogenic sources of acetone, the dominant acetone sources are thought to be from direct biogenic emissions and photochemical production, particularly from the oxidation of iso-alkanes. Recent work suggests that the photochemical degradation of monoterpenes may also represent a significant contribution to global acetone production. We investigate that hypothesis using the GEOS-Chem chemical transport model. In this work, we calculate the emissions of eight terpene species (α-pinene, β-pinene, limonene, Δ3-carene, myrcene, sabinene, trans-β-ocimene, and an 'other monoterpenes' category which contains 34 other trace species) and couple these with upper and lower bound literature yields from species-specific chamber studies. We compare the simulated acetone distributions against in situ acetone measurements from a global suite of NASA aircraft campaigns. When simulating an upper bound on yields, the model-to-measurement comparison improves for North America at both the surface and in the upper troposphere. The inclusion of acetone production from monoterpene degradation also improves the ability of the model to reproduce observations of acetone in East Asian outflow. However, in general the addition of monoterpenes degrades the model comparison for the Southern Hemisphere.

  16. Short-term salivary acetaldehyde increase due to direct exposure to alcoholic beverages as an additional cancer risk factor beyond ethanol metabolism

    PubMed Central

    2011-01-01

    Background An increasing body of evidence now implicates acetaldehyde as a major underlying factor for the carcinogenicity of alcoholic beverages and especially for oesophageal and oral cancer. Acetaldehyde associated with alcohol consumption is regarded as 'carcinogenic to humans' (IARC Group 1), with sufficient evidence available for the oesophagus, head and neck as sites of carcinogenicity. At present, research into the mechanistic aspects of acetaldehyde-related oral cancer has been focused on salivary acetaldehyde that is formed either from ethanol metabolism in the epithelia or from microbial oxidation of ethanol by the oral microflora. This study was conducted to evaluate the role of the acetaldehyde that is found as a component of alcoholic beverages as an additional factor in the aetiology of oral cancer. Methods Salivary acetaldehyde levels were determined in the context of sensory analysis of different alcoholic beverages (beer, cider, wine, sherry, vodka, calvados, grape marc spirit, tequila, cherry spirit), without swallowing, to exclude systemic ethanol metabolism. Results The rinsing of the mouth for 30 seconds with an alcoholic beverage is able to increase salivary acetaldehyde above levels previously judged to be carcinogenic in vitro, with levels up to 1000 μM in cases of beverages with extreme acetaldehyde content. In general, the highest salivary acetaldehyde concentration was found in all cases in the saliva 30 sec after using the beverages (average 353 μM). The average concentration then decreased at the 2-min (156 μM), 5-min (76 μM) and 10-min (40 μM) sampling points. The salivary acetaldehyde concentration depends primarily on the direct ingestion of acetaldehyde contained in the beverages at the 30-sec sampling, while the influence of the metabolic formation from ethanol becomes the major factor at the 2-min sampling point. Conclusions This study offers a plausible mechanism to explain the increased risk for oral cancer associated with

  17. Acetone-CO enhancement ratios in the upper troposphere based on 7 years of CARIBIC data: new insights and estimates of regional acetone fluxes

    NASA Astrophysics Data System (ADS)

    Fischbeck, Garlich; Bönisch, Harald; Neumaier, Marco; Brenninkmeijer, Carl A. M.; Orphal, Johannes; Brito, Joel; Becker, Julia; Sprung, Detlev; van Velthoven, Peter F. J.; Zahn, Andreas

    2017-02-01

    Acetone and carbon monoxide (CO) are two important trace gases controlling the oxidation capacity of the troposphere; enhancement ratios (EnRs) are useful in assessing their sources and fate between emission and sampling, especially in pollution plumes. In this study, we focus on in situ data from the upper troposphere recorded by the passenger-aircraft-based IAGOS-CARIBIC (In-service Aircraft for a Global Observing System-Civil Aircraft for the Regular Investigation of the atmosphere Based on an Instrument Container) observatory over the periods 2006-2008 and 2012-2015. This dataset is used to investigate the seasonal and spatial variation of acetone-CO EnRs. Furthermore, we utilize a box model accounting for dilution, chemical degradation and secondary production of acetone from precursors. In former studies, increasing acetone-CO EnRs in a plume were associated with secondary production of acetone. Results of our box model question this common presumption and show increases of acetone-CO EnR over time without taking secondary production of acetone into account. The temporal evolution of EnRs in the upper troposphere, especially in summer, is not negligible and impedes the interpretation of EnRs as a means for partitioning of acetone and CO sources in the boundary layer. In order to ensure that CARIBIC EnRs represent signatures of source regions with only small influences by dilution and chemistry, we limit our analysis to temporal and spatial coherent events of high-CO enhancement. We mainly focus on North America and Southeast Asia because of their different mix of pollutant sources and the good data coverage. For both regions, we find the expected seasonal variation in acetone-CO EnRs with maxima in summer, but with higher amplitude over North America. We derive mean (± standard deviation) annual acetone fluxes of (53 ± 27) 10-13 kg m-2 s-1 and (185 ± 80) 10-13 kg m-2 s-1 for North America and Southeast Asia, respectively. The derived flux for North America

  18. Enhanced methanol utilization in direct methanol fuel cell

    DOEpatents

    Ren, Xiaoming; Gottesfeld, Shimshon

    2001-10-02

    The fuel utilization of a direct methanol fuel cell is enhanced for improved cell efficiency. Distribution plates at the anode and cathode of the fuel cell are configured to distribute reactants vertically and laterally uniformly over a catalyzed membrane surface of the fuel cell. A conductive sheet between the anode distribution plate and the anodic membrane surface forms a mass transport barrier to the methanol fuel that is large relative to a mass transport barrier for a gaseous hydrogen fuel cell. In a preferred embodiment, the distribution plate is a perforated corrugated sheet. The mass transport barrier may be conveniently increased by increasing the thickness of an anode conductive sheet adjacent the membrane surface of the fuel cell.

  19. Fermentation of methanol in the sheep rumen.

    PubMed

    Pol, A; Demeyer, D I

    1988-03-01

    Sheep fed a hay-concentrate diet were adapted to pectin administration and ruminal infusion of methanol. Both treatments resulted in a strong increase in the rate of methanogenesis from methanol. Quantitative data show that methanol was exclusively converted into methane. Treatments did not influence ruminal volatile fatty acid percentages.

  20. Air breathing direct methanol fuel cell

    DOEpatents

    Ren, Xiaoming

    2002-01-01

    An air breathing direct methanol fuel cell is provided with a membrane electrode assembly, a conductive anode assembly that is permeable to air and directly open to atmospheric air, and a conductive cathode assembly that is permeable to methanol and directly contacting a liquid methanol source.

  1. Influence of dynamic hand-grip exercise on acetone in gas emanating from human skin.

    PubMed

    Mori, Kenji; Funada, Toshiaki; Kikuchi, Maasa; Ohkuwa, Tetsuo; Itoh, Hiroshi; Yamazaki, Yoshihiko; Tsuda, Takao

    2008-01-01

    This study investigated the effects of dynamic hand-grip exercise on skin-gas acetone concentration. The subjects for this experiment were seven healthy males. In the first experiment, to ascertain the reproducibility of the results for the skin-gas acetone concentration test, the skin gas was collected four times from one subject. In the second experiment, all subjects performed three different types of exercise (Exercises I-III) for a duration of 60 s. Exercise I was performed at 10 kg with one contraction every 3 s. Exercise II was 30 kg with one contraction every 3 s. Exercise III was 10 kg with one contraction per second. Acetone concentration was analyzed by gas chromatography. In the first experiment, reasonable reproducibility was obtained in measurements of skin-gas acetone concentration during the hand-grip exercise. In the second experiment, acetone concentration in skin gas during hand-grip exercise II was significantly higher than the basal level. Although skin-gas acetone levels increased in all subjects during exercises I and III, a significant difference was not found. No significant difference was found in skin-gas acetone concentration during dynamic hand-grip exercise among exercises I, II, and III. This study confirmed that skin-gas acetone levels increase during dynamic hand-grip exercise.

  2. Influence of cycle exercise on acetone in expired air and skin gas.

    PubMed

    Yamai, Kazuaki; Ohkuwa, Tetsuo; Itoh, Hiroshi; Yamazaki, Yoshihiko; Tsuda, Takao

    2009-01-01

    This study investigated the influence of cycle exercise on acetone concentration in expired air and skin gas. The subjects for this experiment were eight healthy males. Subjects performed a continuous graded exercise test on a cycle ergometer. The workloads were 360 (1.0 kg), 720 (2.0 kg), 990 (2.75 kg) kgm/min, and each stage was 5 min in duration. A pedaling frequency of 60 rpm was maintained. Acetone concentration was analyzed by gas chromatography. The acetone concentration in expired air and skin gas during exercise at 990 kgm/min intensity was significantly increased compared with the basal level. The skin-gas acetone concentration at 990 kgm/min significantly increased compared with the 360 kgm/min (P < 0.05). The acetone excretion of expired air at 720 kgm/min and 990 kgm/min significantly increased compared with the basal level (P < 0.05). Acetone concentration in expired air was 4-fold greater than skin gas at rest and 3-fold greater during exercise (P < 0.01). Skin gas acetone concentration significantly related with expired air (r = 0.752; P < 0.01). This study confirmed that the skin-gas acetone concentration reflected that of expired air.

  3. Detrimental effects of ethanol and its metabolite acetaldehyde, on first trimester human placental cell turnover and function.

    PubMed

    Lui, Sylvia; Jones, Rebecca L; Robinson, Nathalie J; Greenwood, Susan L; Aplin, John D; Tower, Clare L

    2014-01-01

    Fetal alcohol spectrum disorder (FASD) describes developmental issues from high maternal alcohol intake, which commonly results in fetal growth restriction and long term morbidity. We aimed to investigate the effect of alcohol and acetaldehyde, on the first trimester placenta, the period essential for normal fetal organogenesis. Normal invasion and establishment of the placenta during this time are essential for sustaining fetal viability to term. We hypothesise that alcohol (ethanol) and acetaldehyde have detrimental effects on cytotrophoblast invasion, turnover and placental function. Taurine is an important amino acid for neuronal and physiological development, and so, its uptake was assayed in cells and placental explants exposed to alcohol or acetaldehyde. First trimester villous explants and BeWo cells were treated with 0, 10, 20, 40 mM ethanol or 0, 10, 20, 40 µM acetaldehyde. The invasive capacity of SGHPL4, a first trimester extravillous cytotrophoblast cell line, was unaffected by ethanol or acetaldehyde (p>0.05; N = 6). The cells in-cycle were estimated using immunostaining for Ki67. Proliferating trophoblast cells treated with ethanol were decreased in both experiments (explants: 40% at 20 mM and 40 mM, p<0.05, N = 8-9) (cell line: 5% at 20 mM and 40 mM, p<0.05, N = 6). Acetaldehyde also reduced Ki67-positive cells in both experiments (explants at 40 µM p<0.05; N = 6) (cell line at 10 µM and 40 µM; p<0.05; N = 7). Only in the cell line at 20 µM acetaldehyde demonstrated increased apoptosis (p<0.05; N = 6). Alcohol inhibited taurine transport in BeWo cells at 10 mM and 40 mM (p<0.05; N = 6), and in placenta at 40 mM (p<0.05; N = 7). Acetaldehyde did not affect taurine transport in either model (P<0.05; N = 6). Interestingly, system A amino acid transport in placental explants was increased at 10 µM and 40 µM acetaldehyde exposure (p<0.05; N = 6). Our results demonstrate that exposure to both genotoxins may contribute to the pathogenesis of FASD by

  4. Integration of stable isotope and trace contaminant concentration for enhanced forensic acetone discrimination

    SciTech Connect

    Moran, James J.; Ehrhardt, Christopher J.; Wahl, Jon H.; Kreuzer, Helen W.; Wahl, Karen L.

    2013-07-18

    We analyzed 21 neat acetone samples from 15 different suppliers to demonstrate the utility of a coupled stable isotope and trace contaminant strategy for distinguishing forensically-relevant samples. By combining these two pieces of orthogonal data we could discriminate all of the acetones that were produced by the 15 different suppliers. Using stable isotope ratios alone, we were able to distinguish 9 acetone samples, while the remaining 12 fell into four clusters with highly similar signatures. Adding trace chemical contaminant information enhanced discrimination to 13 individual acetones with three residual clusters. The acetones within each cluster shared a common manufacturer and might, therefore, not be expected to be resolved. The data presented here demonstrates the power of combining orthogonal data sets to enhance sample fingerprinting and highlights the role disparate data could play in future forensic investigations.

  5. Detection of acetone processing of castor bean mash for forensic investigation of ricin preparation methods.

    PubMed

    Kreuzer, Helen W; Wahl, Jon H; Metoyer, Candace N; Colburn, Heather A; Wahl, Karen L

    2010-07-01

    Samples containing the toxic castor bean protein ricin have been recently seized in connection with biocriminal activity. Analytical methods that enable investigators to determine how the samples were prepared and to match seized samples to potential source materials are needed. One commonly described crude ricin preparation method is acetone extraction of crushed castor beans. Here, we describe the use of solid-phase microextraction and headspace analysis to determine whether castor beans were processed by acetone extraction. We prepared acetone-extracted castor bean mash, along with controls of unextracted mash and mash extracted with nonacetone organic solvents. Samples of acetone-extracted mash and unextracted mash were stored in closed containers for up to 109 days at both room temperature and -20 degrees C, and in open containers at room temperature for up to 94 days. Acetone-extracted bean mash could consistently be statistically distinguished from controls, even after storage in open containers for 94 days.

  6. Boron nitride nanotube based nanosensor for acetone adsorption: a DFT simulation.

    PubMed

    Ganji, Masoud Darvish; Rezvani, Mahyar

    2013-03-01

    We have investigated the adsorption properties of acetone on zigzag single-walled BNNTs using density functional theory (DFT) calculations. The results obtained show that acetone is strongly bound to the outer surface of a (5,0) BNNT on the top site directly above the boron atom, with a binding energy of -96.16 kJ mol(-1) and a B-O binding distance of 1.654 Å. Our first-principles calculations also predict that the ability of zigzag BNNTs to adsorb acetone is significantly stronger than the corresponding ability of zigzag CNTs. A comparative investigation of BNNTs with different diameters indicated that the ability of the side walls of the tubes to adsorb acetone decreases significantly for nanotubes with larger diameters. Furthermore, the stability of the most stable acetone/BNNT complex was tested using ab initio molecular dynamics simulation at room temperature.

  7. Adsorption and Reaction of Acetaldehyde on Shape-Controlled CeO2 Nanocrystals: Elucidation of Structure-function Relationships

    SciTech Connect

    Mann, Amanda K; Wu, Zili; Calaza, Florencia; Overbury, Steven {Steve} H

    2014-01-01

    CeO2 cubes with {100} facets, octahedra with {111} facets, and wires with highly defective structures were utilized to probe the structure-dependent reactivity of acetaldehyde. Using temperature-programmed desorption (TPD), temperature-programmed surface reactions (TPSR), and in situ infrared spectroscopy it was found that acetaldehyde desorbs unreacted or undergoes reduction, coupling, or C-C bond scission reactions depending on the surface structure of CeO2. Room temperature FTIR indicates that acetaldehyde binds primarily as 1-acetaldehyde on the octahedra, in a variety of conformations on the cubes, including coupling products and acetate and enolate species, and primarily as coupling products on the wires. The percent consumption of acetaldehyde follows the order of wires > cubes > octahedra. All the nanoshapes produce the coupling product crotonaldehyde; however, the selectivity to produce ethanol follows the order wires cubes >> octahedra. The selectivity and other differences can be attributed to the variation in the basicity of the surfaces, defects densities, coordination numbers of surface atoms, and the reducibility of the nanoshapes.

  8. Enhanced catabolism to acetaldehyde in rostral ventrolateral medullary neurons accounts for the pressor effect of ethanol in spontaneously hypertensive rats.

    PubMed

    El-Mas, Mahmoud M; Abdel-Rahman, Abdel A

    2012-02-01

    We have previously shown that ethanol microinjection into the rostral ventrolateral medulla (RVLM) elicits sympathoexcitation and hypertension in conscious spontaneously hypertensive rats (SHRs) but not in Wistar-Kyoto (WKY) rats. In this study, evidence was sought to implicate the oxidative breakdown of ethanol in this strain-dependent hypertensive action of ethanol. Biochemical experiments revealed significantly higher catalase activity and similar aldehyde dehydrogenase (ALDH) activity in the RVLM of SHRs compared with WKY rats. We also investigated the influence of pharmacological inhibition of catalase (3-aminotriazole) or ALDH (cyanamide) on the cardiovascular effects of intra-RVLM ethanol or its metabolic product acetaldehyde in conscious rats. Compared with vehicle, ethanol (10 μg/rat) elicited a significant increase in blood pressure in SHRs that lasted for the 60-min observation period but had no effect on blood pressure in WKY rats. The first oxidation product, acetaldehyde, played a critical role in ethanol-evoked hypertension because 1) catalase inhibition (3-aminotriazole treatment) virtually abolished the ethanol-evoked pressor response in SHRs, 2) intra-RVLM acetaldehyde (2 μg/rat) reproduced the strain-dependent hypertensive effect of intra-RVLM ethanol, and 3) ALDH inhibition (cyanamide treatment) uncovered a pressor response to intra-RVLM acetaldehyde in WKY rats similar to the response observed in SHRs. These findings support the hypothesis that local production of acetaldehyde, due to enhanced catalase activity, in the RVLM mediates the ethanol-evoked pressor response in SHRs.

  9. Biochemical characterization of a bifunctional acetaldehyde-alcohol dehydrogenase purified from a facultative anaerobic bacterium Citrobacter sp. S-77.

    PubMed

    Tsuji, Kohsei; Yoon, Ki-Seok; Ogo, Seiji

    2016-03-01

    Acetaldehyde-alcohol dehydrogenase (ADHE) is a bifunctional enzyme consisting of two domains of an N-terminal acetaldehyde dehydrogenase (ALDH) and a C-terminal alcohol dehydrogenase (ADH). The enzyme is known to be important in the cellular alcohol metabolism. However, the role of coenzyme A-acylating ADHE responsible for ethanol production from acetyl-CoA remains uncertain. Here, we present the purification and biochemical characterization of an ADHE from Citrobacter sp. S-77 (ADHE(S77)). Interestingly, the ADHE(S77) was unable to be solubilized from membrane with detergents either 1% Triton X-100 or 1% Sulfobetaine 3-12. However, the enzyme was easily dissociated from membrane by high-salt buffers containing either 1.0 M NaCl or (NH(4))(2)SO(4) without detergents. The molecular weight of a native protein was estimated as approximately 400 kDa, consisting of four identical subunits of 96.3 kDa. Based on the specific activity and kinetic analysis, the ADHES77 tended to have catalytic reaction towards acetaldehyde elimination rather than acetaldehyde formation. Our experimental observation suggests that the ADHES77 may play a pivotal role in modulating intracellular acetaldehyde concentration.

  10. Acetaldehyde removal using an atmospheric non-thermal plasma combined with a packed bed: role of the adsorption process.

    PubMed

    Klett, C; Duten, X; Tieng, S; Touchard, S; Jestin, P; Hassouni, K; Vega-González, A

    2014-08-30

    This work is an attempt in order to help towards understanding the influence of the adsorption process on the removal of a VOC (acetaldehyde, CH3CHO) using cyclic non thermal plasma (NTP) combined with a packed-bed of a catalyst support, α-Al2O3. In the first part, the results obtained by placing the saturated alumina pellets inside the plasma discharge zone are discussed, in terms of acetaldehyde removal, CO and CO2 production. In the second part, adsorption of CH3CHO, CO, CO2 and O3 was carried out, from single and multicomponent mixtures of the different compounds. The results showed that (i) the adsorption capacities followed the order CH3CHO≫  CO2>CO; (ii) O3 was decomposed on the alumina surface; (iii) CO oxidation occurred on the surface when O3 was present. In the third part, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) was used to follow the alumina surface during acetaldehyde adsorption. DRIFTS measurements demonstrated that besides the bands of molecularly adsorbed acetaldehyde, several absorptions appeared on the spectra showing the intermediate surface transformation of acetaldehyde already at 300K. Finally, the relationship between the adsorption results and the NTP combined with a packed-bed process is discussed.

  11. The direct methanol fuel cell

    SciTech Connect

    Halpert, G.; Narayanan, S.R.; Frank, H.

    1995-08-01

    This presentation describes the approach and progress in the ARPA-sponsored effort to develop a Direct Methanol, Liquid-Feed Fuel Cell (DMLFFC) with a solid Polymer Electrolyte Membrane (PEM) for battery replacement in small portable applications. Using Membrane Electrode Assemblies (MEAs) developed by JPL and Giner, significant voltage was demonstrated at relatively high current densities. The DMLFFC utilizes a 3 percent aqueous solution of methanol that is oxidized directly in the anode (fuel) chamber and oxygen (air) in the cathode chamber to produce water and significant power. The only products are water and CO{sub 2}. The ARPA effort is aimed at replacing the battery in the BA 5590 military radio.

  12. Methanol production method and system

    DOEpatents

    Chen, Michael J.; Rathke, Jerome W.

    1984-01-01

    Ethanol is selectively produced from the reaction of methanol with carbon monoxide and hydrogen in the presence of a transition metal carbonyl catalyst. Methanol serves as a solvent and may be accompanied by a less volatile co-solvent. The solution includes the transition metal carbonyl catalysts and a basic metal salt such as an alkali metal or alkaline earth metal formate, carbonate or bicarbonate. A gas containing a high carbon monoxide to hydrogen ratio, as is present in a typical gasifer product, is contacted with the solution for the preferential production of ethanol with minimal water as a byproduct. Fractionation of the reaction solution provides substantially pure ethanol product and allows return of the catalysts for reuse.

  13. Heterogeneous Chemistry Involving Methanol in Tropospheric Clouds

    NASA Technical Reports Server (NTRS)

    Tabazadeh, A.; Yokelson, R. J.; Singh, H. B.; Hobbs, P. V.; Crawford, J. H.; Iraci, L. T.

    2004-01-01

    In this report we analyze airborne measurements to suggest that methanol in biomass burning smoke is lost heterogeneously in clouds. When a smoke plume intersected a cumulus cloud during the SAFARI 2000 field project, the observed methanol gas phase concentration rapidly declined. Current understanding of gas and aqueous phase chemistry cannot explain the loss of methanol documented by these measurements. Two plausible heterogeneous reactions are proposed to explain the observed simultaneous loss and production of methanol and formaldehyde, respectively. If the rapid heterogeneous processing of methanol, seen in a cloud impacted by smoke, occurs in more pristine clouds, it could affect the oxidizing capacity of the troposphere on a global scale.

  14. Structure and internal rotation dynamics of the acetone-neon complex studied by microwave spectroscopy

    NASA Astrophysics Data System (ADS)

    Gao, Jiao; Seifert, Nathan A.; Thomas, Javix; Xu, Yunjie; Jäger, Wolfgang

    2016-12-01

    The microwave spectra of the van der Waals complexes acetone-20Ne and acetone-22Ne were measured using a cavity-based supersonic jet Fourier-transform microwave spectrometer in the region from 5 to 18 GHz. For these two isotopologues, both c- and weaker a-type transitions were observed. The transitions are split into multiplets due to the internal rotation of the two methyl groups in acetone. Initial electronic structure calculations were performed at the MP2/6-311++g (2d, p) level of theory and the internal rotation barrier height of the methyl groups was calculated to be ∼2.8 kJ/mol. The ab initio rotational constants were the basis for the spectroscopic searches, but the multiplet structures and floppiness of the complex made the quantum number assignment very difficult. The assignment was finally achieved with the aid of constructing closed frequency loops and predicting internal rotation splittings using the XIAM internal rotation program. The acetone methyl group tunneling barrier height was determined experimentally to be 3.10(6) kJ mol-1 [259(5) cm-1] in the acetone-Ne complex, which is lower than in the acetone monomer but comparable to the acetone-Ar complex (Kang et al., 2002). Experimental data and high-level CCSD(T)/aug-cc-pVTZ calculations suggest that the Ne atom lies directly above the plane formed by the carbonyl group and the two carbon-carbon bonds, which is different than the slightly offset position found previously in the acetone-Ar complex. Additionally, ab initio calculations and Quantum Theory of Atoms in Molecules analyses were used to analyze the methyl internal rotation motions in acetone and acetone-Ne.

  15. Trinidad to build fifth methanol plant

    SciTech Connect

    1997-04-09

    Lurgi confirms it has been awarded a lump sum turnkey contract to build Trinidad`s fifth methanol plant. The facility will be owned by Titan Methanol, whose shareholders are Beacon Group Energy Investment Fund (75%) Amoco Chemical (15%), and Saturn Methanol (10%). The 2,500-m.t./day unit at Point Lisas, which is scheduled to come onstream at the end of 1999, will be Trinidad`s largest methanol unit. Saturn Methanol will be responsible for methanol offtake. Lurgi will use its combined reforming process for the gas section of the unit and its low-pressure methanol synthesis technology. Lurgi has used the same processes in plants in Malaysia and Indonesia.

  16. The toxicity of inhaled methanol vapors

    SciTech Connect

    Kavet, R.; Nauss, K.M. )

    1990-01-01

    Methanol could become a major automotive fuel in the U.S., and its use may result in increased exposure of the public to methanol vapor. Nearly all of the available information on methanol toxicity in humans relates to the consequences of acute, rather than chronic, exposures. Acute methanol toxicity evolves in a well-understood pattern and consists of an uncompensated metabolic acidosis with superimposed toxicity to the visual system. The toxic properties of methanol are rooted in the factors that govern both the conversion of methanol to formic acid and the subsequent metabolism of formate to carbon dioxide in the folate pathway. In short, the toxic syndrome sets in if formate generation continues at a rate that exceeds its rate of metabolism. Current evidence indicates that formate accumulation will not challenge the metabolic capacity of the folate pathway at the anticipated levels of exposure to automotive methanol vapor.117 references.

  17. Direct methanol fuel cell and system

    DOEpatents

    Wilson, Mahlon S.

    2004-10-26

    A fuel cell having an anode and a cathode and a polymer electrolyte membrane located between anode and cathode gas diffusion backings uses a methanol vapor fuel supply. A permeable polymer electrolyte membrane having a permeability effective to sustain a carbon dioxide flux equivalent to at least 10 mA/cm.sup.2 provides for removal of carbon dioxide produced at the anode by reaction of methanol with water. Another aspect of the present invention includes a superabsorpent polymer material placed in proximity to the anode gas diffusion backing to hold liquid methanol or liquid methanol solution without wetting the anode gas diffusion backing so that methanol vapor from the liquid methanol or liquid methanol-water solution is supplied to the membrane.

  18. Degradation of Acetaldehyde and Its Precursors by Pelobacter carbinolicus and P. acetylenicus

    PubMed Central

    Schmidt, Alexander; Frensch, Marco; Schleheck, David; Schink, Bernhard; Müller, Nicolai

    2014-01-01

    Pelobacter carbinolicus and P. acetylenicus oxidize ethanol in syntrophic cooperation with methanogens. Cocultures with Methanospirillum hungatei served as model systems for the elucidation of syntrophic ethanol oxidation previously done with the lost “Methanobacillus omelianskii” coculture. During growth on ethanol, both Pelobacter species exhibited NAD+-dependent alcohol dehydrogenase activity. Two different acetaldehyde-oxidizing activities were found: a benzyl viologen-reducing enzyme forming acetate, and a NAD+-reducing enzyme forming acetyl-CoA. Both species synthesized ATP from acetyl-CoA via acetyl phosphate. Comparative 2D-PAGE of ethanol-grown P. carbinolicus revealed enhanced expression of tungsten-dependent acetaldehyde: ferredoxin oxidoreductases and formate dehydrogenase. Tungsten limitation resulted in slower growth and the expression of a molybdenum-dependent isoenzyme. Putative comproportionating hydrogenases and formate dehydrogenase were expressed constitutively and are probably involved in interspecies electron transfer. In ethanol-grown cocultures, the maximum hydrogen partial pressure was about 1,000 Pa (1 mM) while 2 mM formate was produced. The redox potentials of hydrogen and formate released during ethanol oxidation were calculated to be EH2 = -358±12 mV and EHCOOH = -366±19 mV, respectively. Hydrogen and formate formation and degradation further proved that both carriers contributed to interspecies electron transfer. The maximum Gibbs free energy that the Pelobacter species could exploit during growth on ethanol was −35 to −28 kJ per mol ethanol. Both species could be cultivated axenically on acetaldehyde, yielding energy from its disproportionation to ethanol and acetate. Syntrophic cocultures grown on acetoin revealed a two-phase degradation: first acetoin degradation to acetate and ethanol without involvement of the methanogenic partner, and subsequent syntrophic ethanol oxidation. Protein expression and activity

  19. Degradation of acetaldehyde and its precursors by Pelobacter carbinolicus and P. acetylenicus.

    PubMed

    Schmidt, Alexander; Frensch, Marco; Schleheck, David; Schink, Bernhard; Müller, Nicolai

    2014-01-01

    Pelobacter carbinolicus and P. acetylenicus oxidize ethanol in syntrophic cooperation with methanogens. Cocultures with Methanospirillum hungatei served as model systems for the elucidation of syntrophic ethanol oxidation previously done with the lost "Methanobacillus omelianskii" coculture. During growth on ethanol, both Pelobacter species exhibited NAD+-dependent alcohol dehydrogenase activity. Two different acetaldehyde-oxidizing activities were found: a benzyl viologen-reducing enzyme forming acetate, and a NAD+-reducing enzyme forming acetyl-CoA. Both species synthesized ATP from acetyl-CoA via acetyl phosphate. Comparative 2D-PAGE of ethanol-grown P. carbinolicus revealed enhanced expression of tungsten-dependent acetaldehyde: ferredoxin oxidoreductases and formate dehydrogenase. Tungsten limitation resulted in slower growth and the expression of a molybdenum-dependent isoenzyme. Putative comproportionating hydrogenases and formate dehydrogenase were expressed constitutively and are probably involved in interspecies electron transfer. In ethanol-grown cocultures, the maximum hydrogen partial pressure was about 1,000 Pa (1 mM) while 2 mM formate was produced. The redox potentials of hydrogen and formate released during ethanol oxidation were calculated to be EH2 = -358±12 mV and EHCOOH = -366±19 mV, respectively. Hydrogen and formate formation and degradation further proved that both carriers contributed to interspecies electron transfer. The maximum Gibbs free energy that the Pelobacter species could exploit during growth on ethanol was -35 to -28 kJ per mol ethanol. Both species could be cultivated axenically on acetaldehyde, yielding energy from its disproportionation to ethanol and acetate. Syntrophic cocultures grown on acetoin revealed a two-phase degradation: first acetoin degradation to acetate and ethanol without involvement of the methanogenic partner, and subsequent syntrophic ethanol oxidation. Protein expression and activity patterns of

  20. Millimeter and submillimeter wave spectra of mono-13C-acetaldehydes

    NASA Astrophysics Data System (ADS)

    Margulès, L.; Motiyenko, R. A.; Ilyushin, V. V.; Guillemin, J. C.

    2015-07-01

    Context. The acetaldehyde molecule is ubiquitous in the interstellar medium of our galaxy, and due to its dense and complex spectrum, large dipole moment, and several low-lying torsional states, acetaldehyde is considered to be a "weed" molecule for radio astronomy observations. Mono-13C acetaldehydes 13CH3CHO and CH313CHO are likely to be identified in astronomical surveys, such as those available with the very sensitive ALMA telescope. Laboratory measurements and analysis of the millimeter and submillimeter-wave spectra are the prerequisites for the successful radioastronomical search for the new interstellar molecular species, as well as for new isotopologs of already detected interstellar molecules. Aims: In this context, to provide reliable predictions of 13CH3CHO and CH313CHO spectra in millimeter and submillimeter wave ranges, we study rotational spectra of these species in the frequency range from 50 to 945 GHz. Methods: The spectra of mono-13C acetaldehydes were recorded using the spectrometer based on Schottky-diode frequencymultiplication chains in the Lille laboratory. The rotational spectra of 13CH3CHO and CH313CHO molecules were analyzed using the Rho axis method. Results: In the recorded spectra we have assigned 6884 for the 13CH3CHO species and 6458 for CH313CHO species new rotational transitions belonging to the ground, first, and second excited torsional states. These measurements were fitted together with previously published data to the Hamiltonian models that use 91 and 87 parameters to achieve overall weighted rms deviations 0.88 for the 13CH3CHO species and 0.95 for CH313CHO. On the basis of the new spectroscopic results, predictions of transition frequencies in the frequency range up to 1 THz with J ≤ 60 and Ka ≤ 20 are presented for both isotopologs. Full Tables 3-6 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/579/A46

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

    SciTech Connect

    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

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

    PubMed Central

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

    2016-01-01

    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 < 0.05) between the mean individual breath 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, T

  3. Multi-Walled Carbon Nanotubes as a Catalyst for Gas-Phase Oxidation of Ethanol to Acetaldehyde.

    PubMed

    Wang, Jia; Huang, Rui; Feng, Zhenbao; Liu, Hongyang; Su, Dangsheng

    2016-07-21

    Multi-walled carbon nanotubes (CNTs) were directly used as a sustainable and green catalyst to convert ethanol into acetaldehyde in the presence of molecular oxygen. The C=O groups generated on the nanocarbon surface were demonstrated as active sites for the selective oxidation of ethanol to acetaldehyde. The transformation of disordered carbon debris on the CNT surface to ordered graphitic structures induced by thermal-treatment significantly enhanced the stability of the active C=O groups, and thus the catalytic performance. A high reactivity with approximately 60 % ethanol conversion and 93 % acetaldehyde selectivity was obtained over the optimized CNT catalyst at 270 °C. More importantly, the catalytic performance was quite stable even after 500 h, which is comparable with a supported gold catalyst. The robust catalytic performance displayed the potential application of CNTs in the industrial catalysis field.

  4. Single-photon double and triple ionization of acetaldehyde (ethanal) studied by multi-electron coincidence spectroscopy

    NASA Astrophysics Data System (ADS)

    Zagorodskikh, S.; Zhaunerchyk, V.; Mucke, M.; Eland, J. H. D.; Squibb, R. J.; Karlsson, L.; Linusson, P.; Feifel, R.

    2015-12-01

    Single-photon multiple ionization processes of acetaldehyde (ethanal) have been experimentally investigated by utilizing a multi-particle coincidence technique based on the time-of-flight magnetic bottle principle, in combination with either a synchrotron radiation source or a pulsed helium discharge lamp. The processes investigated include double and triple ionization in the valence region as well as single and double Auger decay of core-ionized acetaldehyde. The latter are studied site-selectively for chemically different carbon core vacancies, scrutinizing early theoretical predictions specifically made for the case of acetaldehyde. Moreover, Auger processes in shake-up and core-valence ionized states are investigated. In the cases where the processes involve simultaneous emission of two electrons, the distributions of the energy sharing are presented, emphasizing either the knock-out or shake-off mechanism.

  5. Mineralization of gaseous acetaldehyde by electrochemically generated Co(III) in H2SO4 with wet scrubber combinatorial system.

    PubMed

    Govindan, Muthuraman; Chung, Sang-Joon; Moon, Il-Shik

    2012-06-11

    Electrochemically generated Co(III) mediated catalytic room temperature incineration of acetaldehyde, which is one of volatile organic compounds (VOCs), combined with wet scrubbing system was developed and investigated. Depending on the electrolyte's type, absorption come removal efficiency is varied. In presence of electrogenerated Co(III) in sulfuric acid, acetaldehyde was mineralized to CO2 and not like only absorption in pure sulfuric acid. The Co(III) mediated catalytic incineration led to oxidative absorption and elimination to CO2, which was evidenced with titration, CO2, and cyclic voltammetric analyses. Experimental conditions, such as current density, concentration of mediator, and gas molar flow rate were optimized. By the optimization of the experimental conditions, the complete mineralization of acetaldehyde was realized at a room temperature using electrochemically generated Co(III) with wet scrubber combinatorial system.

  6. Formation of halogenated acetones in the lower troposphere

    NASA Astrophysics Data System (ADS)

    Sattler, Tobias; Wittmer, Julian; Krause, Torsten; Schöler, Heinz Friedrich; Kamilli, Katharina; Held, Andreas; Zetzsch, Cornelius; Ofner, Johannes; Atlas, Elliot

    2015-04-01

    Western Australia is a semi-/arid region that is heavily influenced by climate change and agricultural land use. The area is known for its saline lakes with a wide range of hydrogeochemical parameters and consists of ephemeral saline and saline groundwater fed lakes with a pH range from 2.5 to 7.1. In 2012 a novel PTFE-chamber was setup directly on the lakes. The 1.5 m³ cubic chamber was made of UV transparent PTFE foil to permit photochemistry while preventing dilution of the air due to lateral wind transport. This experimental setup allows linking measured data directly to the chemistry of and above the salt lakes. Air samples were taken using stainless steel canisters and measured by GC-MS/ECD. Sediment, crust and water samples were taken for investigation of potential VOC and VOX emissions in the laboratory using GC-MS. Several lakes were investigated and canister samples were taken over the day to see diurnal variations. The first samples were collected at 6 a.m. and from this time every 2 hours a canister was filled with chamber air. Concentrations of chloroacetone up to 15 ppb and of bromoacetone up to 40 ppb in the air samples were detected. The concentrations vary over the day and display their highest values around noon. Soil and water samples showed a variety of highly volatile and semi-volatile VOC/VOX but no halogenated acetones. An abiotic formation of these VOC/VOX seems conclusive due to iron-catalysed reactions below the salt crust [1]. The salt crust is the interface through which VOC/VOX pass from soil/groundwater to the atmosphere where they were photochemically altered. This explains the finding of halo acetones only in the air samples and not in water and soil samples measured in the laboratory. The main forming pathway for these haloacetones is the direct halogenation due to atomic chlorine and bromine above the salt lakes [2]. A minor pathway is the atmospheric degradation of chloropropane and bromopropane [3]. These halopropanes were found

  7. Isobutanol-methanol mixtures from synthesis gas. Quarterly technical progress report, 1 April--30 June 30 1996

    SciTech Connect

    1996-07-25

    A series of CuMgCeO{sub x} catalysts have been prepared by coprecipitating the corresponding metal nitrates with a mixed solution of potassium carbonate and potassium hydroxide. Kinetic studies of methanol and ethanol coupling reactions on K-Cu/MgO/CeO{sub 2} and MgO/CeO{sub 2} catalysts indicate that Cu enhances the rates of alcohol dehydrogenation. The cross-coupling reactions of acetaldehyde and {sup 13}C-labeled methanol produce singly-labeled propionaldehyde, suggesting that it forms by the condensation of acetaldehyde and a reactive intermediate derived from methanol. Isobutyraldehyde, a precursor to isobutanol, forms via the condensation of propionaldehyde and a reactive C{sub 1} intermediate resulting from methanol. CO{sub 2}, one of the reaction products, poisons both basic and metal sites on Ce-containing CuMgO{sub x} catalysts, resulting in decreases in the rates of both alcohol dehydrogenation (Cu sites) and chain-growth condensation reactions (basic sites). CO{sub 2} inhibits ethanol dehydrogenation on both low-Cu and high-Cu CuMgCeO{sub x} catalysts; however, CO{sub 2} has no effect on the activity of low-Cu Ce-free Cu-MgO{sub x} catalysts, suggesting that the Cu on CuMgCeO{sub x} catalysts is more likely to be oxidized by CO{sub 2} to Cu{sup +} species that can be subsequently stabilized by CeO{sub 2}. CO{sub 2} effects on high-pressure isobutanol synthesis from CO/H{sub 2} have been studied on low- and high-Cu CuMgCeO{sub x} catalysts at 320{degrees}C and 4.5 MPa. CO{sub 2} addition and removal on low- and high-Cu catalysts show similar directional effects on CO conversion. CO conversion is lower at all space velocities in the presence of CO{sub 2}, and removal Of CO{sub 2} from the feed partially recovers CO conversion. CO{sub 2} decreases methanol and isobutanol productivities on both catalysts. Addition of 1-propanol to CO/H{sub 2} feed increases isobutanol production, suggesting that 1-propanol is a precursor to isobutanol.

  8. 40 CFR 721.10238 - Formaldehyde, polymers with acetone-phenol reaction products and phenol, potassium sodium salts.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Formaldehyde, polymers with acetone..., polymers with acetone-phenol reaction products and phenol, potassium sodium salts. (a) Chemical substance..., polymers with acetone-phenol reaction products and phenol, potassium sodium salts (PMN P-09-147; CAS...

  9. Heterogeneous photocatalytic oxidation of acetone for airpurification by near UV-irradiated titanium dioxide.

    PubMed

    Chang, Chiu-Ping; Chen, Jong-Nan; Lu, Ming-Chun

    2003-06-01

    This work presents a photocatalysis-based method to treat and purify air because of its broad applicability to common, oxidizable air contaminants. The effect of oxygen content, temperature, water vapor, and acetone concentration on the photooxidation of acetone on TiO2 surface was investigated. The photocatalytic decomposition reaction of acetone obeyed the first-order equation. The decomposition rate increased with increasing the oxygen content. The rate of acetone oxidation increased when water vapor increased from 18.7 to 417 microM and decreased at higher than 417 microM. The conversion and mineralization of acetone decreased at higher than 138 degrees C. The initial rate of acetone degradation can be well described by the Langmuir-Hinshelwood rate form. The specific reaction rate constant and the equilibrium adsorption are 15.8 microM/min and 0.0671 L/microM, respectively. The difference between observed and estimated half-lives became larger when the initial concentration of acetone was increased. It is assumed that the intermediates competed with parent compound so that delayed the half-life. The detection of CO2 production can support this assumption.

  10. Measurement of breath acetone concentrations by selected ion flow tube mass spectrometry in type 2 diabetes.

    PubMed

    Storer, Malina; Dummer, Jack; Lunt, Helen; Scotter, Jenny; McCartin, Fiona; Cook, Julie; Swanney, Maureen; Kendall, Deborah; Logan, Florence; Epton, Michael

    2011-12-01

    Selected ion flow tube-mass spectrometry (SIFT-MS) can measure volatile compounds in breath on-line in real time and has the potential to provide accurate breath tests for a number of inflammatory, infectious and metabolic diseases, including diabetes. Breath concentrations of acetone in type 2 diabetic subjects undertaking a long-term dietary modification programme were studied. Acetone concentrations in the breath of 38 subjects with type 2 diabetes were determined by SIFT-MS. Anthropomorphic measurements, dietary intake and medication use were recorded. Blood was analysed for beta hydroxybutyrate (a ketone body), HbA1c (glycated haemoglobin) and glucose using point-of-care capillary (fingerprick) testing. All subjects were able to undertake breath manoeuvres suitable for analysis. Breath acetone varied between 160 and 862 ppb (median 337 ppb) and was significantly higher in men (median 480 ppb versus 296 ppb, p = 0.01). In this cross-sectional study, no association was observed between breath acetone and either dietary macronutrients or point-of-care capillary blood tests. Breath analysis by SIFT-MS offers a rapid, reproducible and easily performed measurement of acetone concentration in ambulatory patients with type 2 diabetes. The high inter-individual variability in breath acetone concentration may limit its usefulness in cross-sectional studies. Breath acetone may nevertheless be useful for monitoring metabolic changes in longitudinal metabolic studies, in a variety of clinical and research settings.

  11. Metabolic methanol: molecular pathways and physiological roles.

    PubMed

    Dorokhov, Yuri L; Shindyapina, Anastasia V; Sheshukova, Ekaterina V; Komarova, Tatiana V

    2015-04-01

    Methanol has been historically considered an exogenous product that leads only to pathological changes in the human body when consumed. However, in normal, healthy individuals, methanol and its short-lived oxidized product, formaldehyde, are naturally occurring compounds whose functions and origins have received limited attention. There are several sources of human physiological methanol. Fruits, vegetables, and alcoholic beverages are likely the main sources of exogenous methanol in the healthy human body. Metabolic methanol may occur as a result of fermentation by gut bacteria and metabolic processes involving S-adenosyl methionine. Regardless of its source, low levels of methanol in the body are maintained by physiological and metabolic clearance mechanisms. Although human blood contains small amounts of methanol and formaldehyde, the content of these molecules increases sharply after receiving even methanol-free ethanol, indicating an endogenous source of the metabolic methanol present at low levels in the blood regulated by a cluster of genes. Recent studies of the pathogenesis of neurological disorders indicate metabolic formaldehyde as a putative causative agent. The detection of increased formaldehyde content in the blood of both neurological patients and the elderly indicates the important role of genetic and biochemical mechanisms of maintaining low levels of methanol and formaldehyde.

  12. Concentration of dilute acetone-water solutions using pervaporation

    SciTech Connect

    Hollein, M.E.; Hammond, M.; Slater, C.S. )

    1993-03-01

    The separation of acetone-water mixtures by pervaporation has been studied. Four membranes were evaluated: a silicone composite (SC) membrane, a polydimethylsiloxane (PDMS) membrane, a polymethoxysiloxane (PMS), and a poly-ether-block-polyamide copolymer (PEBA) membrane. The silicone composite membrane exhibited a higher flux and selectivity than any of the other membranes studies. At a feed temperature of 50[degrees]C, a permeate-side pressure of 1 torr, and a feed concentration of 5.0%, the silicone composite membrane had a flux of 1.1 kg/m[sup 2][center dot]h and a selectivity of 50. The effects of temperature and permeate-side pressure on membrane transport were studied using the SC membrane. An increase in temperature increased the flux exponentially, but had little effect on selectivity. An analysis of the data shows that the trend agrees quite well with an Arrhenius-type relationship. As the permeate-side pressure increased, the flux decreased in a sigmoidal fashion over the range evaluated. Selectivity did not change significantly over the lower portion of the pressure range studied. The effect of feed concentration on flux and selectivity was also investigated. 30 refs., 11 figs.

  13. Mathematical modelling of clostridial acetone-butanol-ethanol fermentation.

    PubMed

    Millat, Thomas; Winzer, Klaus

    2017-03-01

    Clostridial acetone-butanol-ethanol (ABE) fermentation features a remarkable shift in the cellular metabolic activity from acid formation, acidogenesis, to the production of industrial-relevant solvents, solventogensis. In recent decades, mathematical models have been employed to elucidate the complex interlinked regulation and conditions that determine these two distinct metabolic states and govern the transition between them. In this review, we discuss these models with a focus on the mechanisms controlling intra- and extracellular changes between acidogenesis and solventogenesis. In particular, we critically evaluate underlying model assumptions and predictions in the light of current experimental knowledge. Towards this end, we briefly introduce key ideas and assumptions applied in the discussed modelling approaches, but waive a comprehensive mathematical presentation. We distinguish between structural and dynamical models, which will be discussed in their chronological order to illustrate how new biological information facilitates the 'evolution' of mathematical models. Mathematical models and their analysis have significantly contributed to our knowledge of ABE fermentation and the underlying regulatory network which spans all levels of biological organization. However, the ties between the different levels of cellular regulation are not well understood. Furthermore, contradictory experimental and theoretical results challenge our current notion of ABE metabolic network structure. Thus, clostridial ABE fermentation still poses theoretical as well as experimental challenges which are best approached in close collaboration between modellers and experimentalists.

  14. Determination of acetone and methyl ethyl ketone in water

    USGS Publications Warehouse

    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)

  15. Acetone, butanol, and ethanol production from wastewater algae.

    PubMed

    Ellis, Joshua T; Hengge, Neal N; Sims, Ronald C; Miller, Charles D

    2012-05-01

    Acetone, butanol, and ethanol (ABE) fermentation by Clostridium saccharoperbutylacetonicum N1-4 using wastewater algae biomass as a carbon source was demonstrated. Algae from the Logan City Wastewater Lagoon system grow naturally at high rates providing an abundant source of renewable algal biomass. Batch fermentations were performed with 10% algae as feedstock. Fermentation of acid/base pretreated algae produced 2.74 g/L of total ABE, as compared with 7.27 g/L from pretreated algae supplemented with 1% glucose. Additionally, 9.74 g/L of total ABE was produced when xylanase and cellulase enzymes were supplemented to the pretreated algae media. The 1% glucose supplement increased total ABE production approximately 160%, while supplementing with enzymes resulted in a 250% increase in total ABE production when compared to production from pretreated algae with no supplementation of extraneous sugar and enzymes. Additionally, supplementation of enzymes produced the highest total ABE production yield of 0.311 g/g and volumetric productivity of 0.102 g/Lh. The use of non-pretreated algae produced 0.73 g/L of total ABE. The ability to engineer novel methods to produce these high value products from an abundant and renewable feedstock such as algae could have significant implications in stimulating domestic energy economies.

  16. Acetaldehyde Content and Oxidative Stress in the Deleterious Effects of Alcohol Drinking on Rat Uterine Horn

    PubMed Central

    Buthet, Lara Romina; Maciel, María Eugenia; Quintans, Leandro Néstor; Rodríguez de Castro, Carmen; Costantini, Martín Hernán; Castro, José Alberto

    2013-01-01

    After alcohol exposure through a standard Lieber and De Carli diet for 28 days, a severe atrophy in the rat uteirne horn was observed, accompanied by significant alterations in its epithelial cells. Microsomal pathway of acetaldehyde production was slightly increased. Hydroxyl radicals were detected in the cytosolic fraction, and this was attributed to participation of xanthine oxidoreductase. They were also observed in the microsomal fraction in the presence of NADPH generating system. No generation of 1-hydroxyethyl was evidenced. The t-butylhydroperoxide-induced chemiluminescence analysis of uterine horn homogenates revealed a significant increase in the chemiluminiscence emission due to ethanol exposure. In the animals repeatedly exposed to alcohol, sulfhydryl content from uterine horn proteins was decreased, but no significant changes were observed in the protein carbonyl content from the same samples. Minor but significant decreasing changes were observed in the GSH content accompanied by a tendency to decrease in the GSH/GSSG ratio. A highly significant finding was the diminished activity content of glutathione peroxidase. Results suggest that acetaldehyde accumulation plus the oxidative stress may play an additional effect to the alcohol-promoted hormonal changes in the uterus reported by others after chronic exposure to alcohol. PMID:24348548

  17. Acetaldehyde content and oxidative stress in the deleterious effects of alcohol drinking on rat uterine horn.

    PubMed

    Buthet, Lara Romina; Maciel, María Eugenia; Quintans, Leandro Néstor; Rodríguez de Castro, Carmen; Costantini, Martín Hernán; Fanelli, Silvia Laura; Castro, José Alberto; Castro, Gerardo Daniel

    2013-01-01

    After alcohol exposure through a standard Lieber and De Carli diet for 28 days, a severe atrophy in the rat uteirne horn was observed, accompanied by significant alterations in its epithelial cells. Microsomal pathway of acetaldehyde production was slightly increased. Hydroxyl radicals were detected in the cytosolic fraction, and this was attributed to participation of xanthine oxidoreductase. They were also observed in the microsomal fraction in the presence of NADPH generating system. No generation of 1-hydroxyethyl was evidenced. The t-butylhydroperoxide-induced chemiluminescence analysis of uterine horn homogenates revealed a significant increase in the chemiluminiscence emission due to ethanol exposure. In the animals repeatedly exposed to alcohol, sulfhydryl content from uterine horn proteins was decreased, but no significant changes were observed in the protein carbonyl content from the same samples. Minor but significant decreasing changes were observed in the GSH content accompanied by a tendency to decrease in the GSH/GSSG ratio. A highly significant finding was the diminished activity content of glutathione peroxidase. Results suggest that acetaldehyde accumulation plus the oxidative stress may play an additional effect to the alcohol-promoted hormonal changes in the uterus reported by others after chronic exposure to alcohol.

  18. Interaction of yeasts with the products resulting from the condensation reaction between (+)-catechin and acetaldehyde.

    PubMed

    Lopez-Toledano, Azahara; Villaño-Valencia, Debora; Mayen, Manuel; Merida, Julieta; Medina, Manuel

    2004-04-21

    The condensation reaction between (+)-catechin and acetaldehyde was studied in model solutions in the presence and absence yeasts in order to evaluate its contribution to color changes in fermented drinks such as white wine. On the basis of the results, the yeasts retain the oligomers produced in the reaction, their retention ability increasing for higher polymerization degrees. As a result, the color of model solutions, measured as the absorbance at 420 nm, was found to decrease after the addition of yeasts. On the other hand, the yeasts exhibited no inhibitory effect on the condensation reaction, which took place at the same rate in their presence and absence. At acidity levels and reactant concentrations similar to those in wine, with acetaldehyde in high concentration as it is present in sherry wines, the reaction was found to occur very slowly. Taking into account that Yeasts are present during most of the winemaking process; consequently, they retain oligomers, and the studied reaction could mainly contribute to the alteration of the color of white wine after bottling.

  19. The (impossible?) formation of acetaldehyde on the grain surfaces: insights from quantum chemical calculations

    NASA Astrophysics Data System (ADS)

    Enrique-Romero, J.; Rimola, A.; Ceccarelli, C.; Balucani, N.

    2016-06-01

    Complex Organic Molecules (COMs) have been detected in the interstellar medium (ISM). However, it is not clear whether their synthesis occurs on the icy surfaces of interstellar grains or via a series of gas-phase reactions. As a test case of the COMs synthesis in the ISM, we present new quantum chemical calculations on the formation of acetaldehyde (CH3CHO) from the coupling of the HCO and CH3 radicals, both in gas phase and on water ice surfaces. The binding energies of HCO and CH3 on the amorphous water ice were also computed (2333 and 734 K, respectively). Results indicate that, in gas phase, the products could be either CH3CHO, CH4 + CO, or CH3OCH, depending on the relative orientation of the two radicals. However, on the amorphous water ice, only the CH4 + CO product is possible due to the geometrical constraints imposed by the water ice surface. Therefore, acetaldehyde cannot be synthesized by the CH3 + HCO coupling on the icy grains. We discuss the implications of these results and other cases, such as ethylene glycol and dimethyl ether, in which similar situations can occur, suggesting that formation of these molecules on the grain surfaces might be unlikely.

  20. Computational studies of the isomerization and hydration reactions of acetaldehyde oxide and methyl vinyl carbonyl oxide.

    PubMed

    Kuwata, Keith T; Hermes, Matthew R; Carlson, Matthew J; Zogg, Cheryl K

    2010-09-02

    Alkene ozonolysis is a major source of hydroxyl radical (*OH), the most important oxidant in the troposphere. Previous experimental and computational work suggests that for many alkenes the measured *OH yields should be attributed to the combined impact of both chemically activated and thermalized syn-alkyl Criegee intermediates (CIs), even though the thermalized CI should be susceptible to trapping by molecules such as water. We have used RRKM/master equation and variational transition state theory calculations to quantify the competition between unimolecular isomerization and bimolecular hydration reactions for the syn and anti acetaldehyde oxide formed in trans-2-butene ozonolysis and for the CIs formed in isoprene ozonolysis possessing syn-methyl groups. Statistical rate theory calculations were based on quantum chemical data provided by the B3LYP, QCISD, and multicoefficient G3 methods, and thermal rate constants were corrected for tunneling effects using the Eckart method. At tropospheric temperatures and pressures, all thermalized CIs with syn-methyl groups are predicted to undergo 1,4-hydrogen shifts from 2 to 8 orders of magnitude faster than they react with water monomer at its saturation number density. For thermalized anti acetaldehyde oxide, the rates of dioxirane formation and hydration should be comparable.

  1. Infrared spectroscopy of acetone-water liquid mixtures. I. Factor analysis

    NASA Astrophysics Data System (ADS)

    Max, Jean-Joseph; Chapados, Camille

    2003-09-01

    Acetone and water mixtures covering the whole solubility range were measured by Fourier transform infrared attenuated total reflectance spectroscopy. In this system, only water can supply the hydrogen atoms necessary for hydrogen bonding. Using spectral windowing with factor analysis (FA), 10 principal factors were retrieved, five water and five acetone. Hydrogen bonding is observed on the carbonyl stretch band as water is introduced in the solution, redshifting the band further from its gas position than that observed in pure liquid acetone. This indicates that the hydrogen bonding is stronger than the acetone dipole-dipole interactions because it overrides them. A water molecule isolated in acetone is twice H bonded through its two H atoms; although both OH groups are H-bond donors, the OH stretch band is less redshifted (˜138 cm-1) than that of pure liquid water (˜401 cm-1). This is attributable to the two lone electron pairs remaining on the oxygen atom that sustain a large part of the OH valence bond strength. Hydrogen bonds on the water oxygen weaken both its OH valence bonds and modify the OH stretch band when water is added to the solution. The oxygen atoms of both water and acetone can accept 0, 1, and 2 H bonds given by water to yield three water and three acetone situations. Since these six situations are far less than the 10 principal factors retrieved by FA, other perturbations must be present to account for the difference. Although acetone and water are intermingled through H bonds, hydrates in the sense of an acetone molecule sequestering a number of water molecules or altering the H-bonding water network are not present because the principal factors evolve independently.

  2. Towards a methanol economy based on homogeneous catalysis: methanol to H2 and CO2 to methanol.

    PubMed

    Alberico, E; Nielsen, M

    2015-04-21

    The possibility to implement both the exhaustive dehydrogenation of aqueous methanol to hydrogen and CO2 and the reverse reaction, the hydrogenation of CO2 to methanol and water, may pave the way to a methanol based economy as part of a promising renewable energy system. Recently, homogeneous catalytic systems have been reported which are able to promote either one or the other of the two reactions under mild conditions. Here, we review and discuss these developments.

  3. Design and Operation of an Electrochemical Methanol Concentration Sensor for Direct Methanol Fuel Cell Systems

    NASA Technical Reports Server (NTRS)

    Narayanan, S. R.; Valdez, T. I.; Chun, W.

    2000-01-01

    The development of a 150-Watt packaged power source based on liquid feed direct methanol fuel cells is being pursued currently at the Jet propulsion Laboratory for defense applications. In our studies we find that the concentration of methanol in the fuel circulation loop affects the electrical performance and efficiency the direct methanol fuel cell systems significantly. The practical operation of direct methanol fuel cell systems, therefore, requires accurate monitoring and control of methanol concentration. The present paper reports on the principle and demonstration of an in-house developed electrochemical sensor suitable for direct methanol fuel cell systems.

  4. Recent Studies on Methanol Crossover in Liquid-Feed Direct Methanol Fuel Cells

    NASA Technical Reports Server (NTRS)

    Valdez, T. I.; Narayanan, S. R.

    2000-01-01

    In this work, the effects of methanol crossover and airflow rates on the cathode potential of an operating direct methanol fuel cell are explored. Techniques for quantifying methanol crossover in a fuel cell and for separating the electrical performance of each electrode in a fuel cell are discussed. The effect of methanol concentration on cathode potential has been determined to be significant. The cathode is found to be mass transfer limited when operating on low flow rate air and high concentrations of methanol. Improvements in cathode structure and operation at low methanol concentration have been shown to result in improved cell performance.

  5. Methods of conditioning direct methanol fuel cells

    DOEpatents

    Rice, Cynthia; Ren, Xiaoming; Gottesfeld, Shimshon

    2005-11-08

    Methods for conditioning the membrane electrode assembly of a direct methanol fuel cell ("DMFC") are disclosed. In a first method, an electrical current of polarity opposite to that used in a functioning direct methanol fuel cell is passed through the anode surface of the membrane electrode assembly. In a second method, methanol is supplied to an anode surface of the membrane electrode assembly, allowed to cross over the polymer electrolyte membrane of the membrane electrode assembly to a cathode surface of the membrane electrode assembly, and an electrical current of polarity opposite to that in a functioning direct methanol fuel cell is drawn through the membrane electrode assembly, wherein methanol is oxidized at the cathode surface of the membrane electrode assembly while the catalyst on the anode surface is reduced. Surface oxides on the direct methanol fuel cell anode catalyst of the membrane electrode assembly are thereby reduced.

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

    NASA Astrophysics Data System (ADS)

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

    2012-11-01

    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.

  7. Astaxanthin Inhibits Acetaldehyde-Induced Cytotoxicity in SH-SY5Y Cells by Modulating Akt/CREB and p38MAPK/ERK Signaling Pathways

    PubMed Central

    Yan, Tingting; Zhao, Yan; Zhang, Xia; Lin, Xiaotong

    2016-01-01

    Excessive alcohol consumption can lead to brain tissue damage and cognitive dysfunction. Acetaldehyde, the most toxic metabolite of ethanol, mediates the brain tissue damage and cognitive dysfunction induced by chronic excessive alcohol consumption. In this study, the effect of astaxanthin, a marine bioactive compound, on acetaldehyde-induced cytotoxicity was investigated in SH-SY5Y cells. It was found that astaxanthin protected cells from apoptosis by ameliorating the effect of acetaldehyde on the expression of Bcl-2 family proteins, preventing the reduction of anti-apoptotic protein Bcl-2 and the increase of pro-apoptotic protein Bak induced by acetaldehyde. Further analyses showed that astaxanthin treatment inhibited acetaldehyde-induced reduction of the levels of activated Akt and cyclic AMP-responsive element binding protein (CREB). Astaxanthin treatment also prevented acetaldehyde-induced increase of the level of activated p38 mitogen-activated protein kinase (MAPK) and decrease of the level of activated extracellular signal-regulated kinases (ERKs). Activation of Akt/CREB pathway promotes cell survival and is involved in the upregulation of Bcl-2 gene. P38MAPK plays a critical role in apoptotic events while ERKs mediates the inhibition of apoptosis. Thus, astaxanthin may inhibit acetaldehyde-induced apoptosis through promoting the activation of Akt/CREB and ERKs and blocking the activation of p38MAPK. In addition, astaxanthin treatment suppressed the oxidative stress induced by acetaldehyde and restored the antioxidative capacity of SH-SY5Y cells. Therefore, astaxanthin may protect cells against acetaldehyde-induced cytotoxicity through maintaining redox balance and modulating apoptotic and survival signals. The results suggest that astaxanthin treatment may be beneficial for preventing neurotoxicity associated with acetaldehyde and excessive alcohol consumption. PMID:26978376

  8. Effects of ALDH2 genotype, PPI treatment and L-cysteine on carcinogenic acetaldehyde in gastric juice and saliva after intragastric alcohol administration.

    PubMed

    Maejima, Ryuhei; Iijima, Katsunori; Kaihovaara, Pertti; Hatta, Waku; Koike, Tomoyuki; Imatani, Akira; Shimosegawa, Tooru; Salaspuro, Mikko

    2015-01-01

    Acetaldehyde (ACH) associated with alcoholic beverages is Group 1 carcinogen to humans (IARC/WHO). Aldehyde dehydrogenase (ALDH2), a major ACH eliminating enzyme, is genetically deficient in 30-50% of Eastern Asians. In alcohol drinkers, ALDH2-deficiency is a well-known risk factor for upper aerodigestive tract cancers, i.e., head and neck cancer and esophageal cancer. However, there is only a limited evidence for stomach cancer. In this study we demonstrated for the first time that ALDH2 deficiency results in markedly increased exposure of the gastric mucosa to acetaldehyde after intragastric administration of alcohol. Our finding provides concrete evidence for a causal relationship between acetaldehyde and gastric carcinogenesis. A plausible explanation is the gastric first pass metabolism of ethanol. The gastric mucosa expresses alcohol dehydrogenase (ADH) enzymes catalyzing the oxidation of ethanol to acetaldehyde, especially at the high ethanol concentrations prevailing in the stomach after the consumption of alcoholic beverages. The gastric mucosa also possesses the acetaldehyde-eliminating ALDH2 enzyme. Due to decreased mucosal ALDH2 activity, the elimination of ethanol-derived acetaldehyde is decreased, which results in its accumulation in the gastric juice. We also demonstrate that ALDH2 deficiency, proton pump inhibitor (PPI) treatment, and L-cysteine cause independent changes in gastric juice and salivary acetaldehyde levels, indicating that intragastric acetaldehyde is locally regulated by gastric mucosal ADH and ALDH2 enzymes, and by oral microbes colonizing an achlorhydric stomach. Markedly elevated acetaldehyde levels were also found at low intragastric ethanol concentrations corresponding to the ethanol levels of many foodstuffs, beverages, and dairy products produced by fermentation. A capsule that slowly releases L-cysteine effectively eliminated acetaldehyde from the gastric juice of PPI-treated ALDH2-active and ALDH2-deficient subjects. These

  9. Astaxanthin Inhibits Acetaldehyde-Induced Cytotoxicity in SH-SY5Y Cells by Modulating Akt/CREB and p38MAPK/ERK Signaling Pathways.

    PubMed

    Yan, Tingting; Zhao, Yan; Zhang, Xia; Lin, Xiaotong

    2016-03-10

    Excessive alcohol consumption can lead to brain tissue damage and cognitive dysfunction. Acetaldehyde, the most toxic metabolite of ethanol, mediates the brain tissue damage and cognitive dysfunction induced by chronic excessive alcohol consumption. In this study, the effect of astaxanthin, a marine bioactive compound, on acetaldehyde-induced cytotoxicity was investigated in SH-SY5Y cells. It was found that astaxanthin protected cells from apoptosis by ameliorating the effect of acetaldehyde on the expression of Bcl-2 family proteins, preventing the reduction of anti-apoptotic protein Bcl-2 and the increase of pro-apoptotic protein Bak induced by acetaldehyde. Further analyses showed that astaxanthin treatment inhibited acetaldehyde-induced reduction of the levels of activated Akt and cyclic AMP-responsive element binding protein (CREB). Astaxanthin treatment also prevented acetaldehyde-induced increase of the level of activated p38 mitogen-activated protein kinase (MAPK) and decrease of the level of activated extracellular signal-regulated kinases (ERKs). Activation of Akt/CREB pathway promotes cell survival and is involved in the upregulation of Bcl-2 gene. P38MAPK plays a critical role in apoptotic events while ERKs mediates the inhibition of apoptosis. Thus, astaxanthin may inhibit acetaldehyde-induced apoptosis through promoting the activation of Akt/CREB and ERKs and blocking the activation of p38MAPK. In addition, astaxanthin treatment suppressed the oxidative stress induced by acetaldehyde and restored the antioxidative capacity of SH-SY5Y cells. Therefore, astaxanthin may protect cells against acetaldehyde-induced cytotoxicity through maintaining redox balance and modulating apoptotic and survival signals. The results suggest that astaxanthin treatment may be beneficial for preventing neurotoxicity associated with acetaldehyde and excessive alcohol consumption.

  10. Effects of ALDH2 Genotype, PPI Treatment and L-Cysteine on Carcinogenic Acetaldehyde in Gastric Juice and Saliva after Intragastric Alcohol Administration

    PubMed Central

    Maejima, Ryuhei; Iijima, Katsunori; Kaihovaara, Pertti; Hatta, Waku; Koike, Tomoyuki; Imatani, Akira; Shimosegawa, Tooru; Salaspuro, Mikko

    2015-01-01

    Acetaldehyde (ACH) associated with alcoholic beverages is Group 1 carcinogen to humans (IARC/WHO). Aldehyde dehydrogenase (ALDH2), a major ACH eliminating enzyme, is genetically deficient in 30–50% of Eastern Asians. In alcohol drinkers, ALDH2-deficiency is a well-known risk factor for upper aerodigestive tract cancers, i.e., head and neck cancer and esophageal cancer. However, there is only a limited evidence for stomach cancer. In this study we demonstrated for the first time that ALDH2 deficiency results in markedly increased exposure of the gastric mucosa to acetaldehyde after intragastric administration of alcohol. Our finding provides concrete evidence for a causal relationship between acetaldehyde and gastric carcinogenesis. A plausible explanation is the gastric first pass metabolism of ethanol. The gastric mucosa expresses alcohol dehydrogenase (ADH) enzymes catalyzing the oxidation of ethanol to acetaldehyde, especially at the high ethanol concentrations prevailing in the stomach after the consumption of alcoholic beverages. The gastric mucosa also possesses the acetaldehyde-eliminating ALDH2 enzyme. Due to decreased mucosal ALDH2 activity, the elimination of ethanol-derived acetaldehyde is decreased, which results in its accumulation in the gastric juice. We also demonstrate that ALDH2 deficiency, proton pump inhibitor (PPI) treatment, and L-cysteine cause independent changes in gastric juice and salivary acetaldehyde levels, indicating that intragastric acetaldehyde is locally regulated by gastric mucosal ADH and ALDH2 enzymes, and by oral microbes colonizing an achlorhydric stomach. Markedly elevated acetaldehyde levels were also found at low intragastric ethanol concentrations corresponding to the ethanol levels of many foodstuffs, beverages, and dairy products produced by fermentation. A capsule that slowly releases L-cysteine effectively eliminated acetaldehyde from the gastric juice of PPI-treated ALDH2-active and ALDH2-deficient subjects. These

  11. Air breathing direct methanol fuel cell

    DOEpatents

    Ren, Xiaoming; Gottesfeld, Shimshon

    2002-01-01

    An air breathing direct methanol fuel cell is provided with a membrane electrode assembly, a conductive anode assembly that is permeable to air and directly open to atmospheric air, and a conductive cathode assembly that is permeable to methanol and directly contacting a liquid methanol source. Water loss from the cell is minimized by making the conductive cathode assembly hydrophobic and the conductive anode assembly hydrophilic.

  12. Direct methanol fuel cell for portable applications

    SciTech Connect

    Valdez, T.I.; Narayanan, S.R.; Frank, H.; Chun, W.

    1997-12-01

    A five cell direct methanol fuel cell stack has been developed at the Jet Propulsion Laboratory. Presently direct methanol fuel cell technology is being incorporated into a system for portable applications. Electrochemical performance and its dependence on flow rate and temperature for a five cell stack are presented. Water transport data, and water transport mechanisms for direct methanol fuel cells are discussed. Stack response to pulse loads has been characterized. Implications of stack performance and operating conditions on system design have been addressed.

  13. Method of steam reforming methanol to hydrogen

    DOEpatents

    Beshty, Bahjat S.

    1990-01-01

    The production of hydrogen by the catalyzed steam reforming of methanol is accomplished using a reformer of greatly reduced size and cost wherein a mixture of water and methanol is superheated to the gaseous state at temperatures of about 800.degree. to about 1,100.degree. F. and then fed to a reformer in direct contact with the catalyst bed contained therein, whereby the heat for the endothermic steam reforming reaction is derived directly from the superheated steam/methanol mixture.

  14. An Experimental Study of Methanol Reformation.

    DTIC Science & Technology

    1979-12-01

    1973, p. 1300) show how methanol compares to other alterna- tives. In addition, the production of methanol from syngas is a proven commercial...technology, and the syngas can be coal-derived (Wilk 1978, p. 56). The disadvantages of methanol concern the fact that more will have to be carried than...the chief engineer’s job to continue research and upgrading into 1980. 2.2 Design Parameters The following limitations were placed on the new system

  15. Amidic and acetonic cryoprotectants improve cryopreservation of volvocine green algae.

    PubMed

    Nakazawa, A; Nishii, I

    2012-01-01

    A number of volvocalean green algae species were subjected to a two-step cryopreservation protocol with various cryoprotectants. Potential cryoprotectants were methanol (DMSO), N,N-dimethylformamide (DMF), N,N-dimethylacetamide, N-methylformamide, and hydroxyacetone (HA). We confirmed prior reports that MeOH was effective for cryopreserving Chlamydomonas, but did not work well for larger volvocaleans such as Volvox. In contrast, DMF and HA were effective for both unicellular and multicellular representatives. When we used a cold-inducible transposon to probe Southern blots of Volvox DNA samples taken before and after storage for one month in LN, we could detect no differences, indicating that the genome had remained relatively stable and that the transposon had not been induced by the cryopreservation procedure. We believe these methods will facilitate long-term storage of several volvocine algal species, including Volvox strains harboring transposon-induced mutations of developmental interest.

  16. Ozonolysis at vegetation surfaces. a source of acetone, 4-oxopentanal, 6-methyl-5-hepten-2-one, and geranyl acetone in the troposphere

    NASA Astrophysics Data System (ADS)

    Fruekilde, P.; Hjorth, J.; Jensen, N. R.; Kotzias, D.; Larsen, B.

    The present study gives a possible explanation for the ubiquitous occurrence of 6-methyl-5-hepten-2-one and acetone in ambient air and reports for the first time on a widespread occurrence of geranyl acetone and 4-oxopentanal. We have conducted a series of laboratory experiments in which it is demonstrated that significant amounts of geranyl acetone, 6-methyl-5-hepten-2-one (6-MHO), 4-oxopentanal (4-OPA), and acetone are formed by the reaction of ozone with foliage of common vegetation in the Mediterranean area ( Quercus ilex>Citrus sinensis>Quercus suber>Quercus freinetto>Pinus pinea). In order to rule out biological formation, epicuticular waxes were extracted from the leaves, dispersed on glass wool and allowed to react with a flow of artificial air. Significant amounts of 6-MHO and 4-OPA were formed at ozone concentrations of 50-100 ppbv, but not at zero ozone. A number of terpenoids common in vegetation contain the structural element necessary for ozonolytic formation of 6-MHO. Two sesquiterpenes (nerolidol; farnesol), and a triterpene (squalene) selected as representative test compounds were demonstrated to be strong precursors for acetone, 4-OPA, and 6-MHO. Squalene was also a strong precursor for geranyl acetone. The atmospheric lifetime of geranyl acetone and 6-MHO is less than 1 h under typical conditions. For the present study, we have synthesized 4-OPA and investigated the kinetics of its gas-phase reaction with OH, NO 3, and O 3. A tropospheric lifetime longer than 17 h under typical conditions was calculated from the measured reaction rate constants, which explains the tropospheric occurrence of 4-OPA. It is concluded that future atmospheric chemistry investigations should included geranyl acetone, 6-MHO, and 4-OPA. In a separate experiment it was demonstrated that human skin lipid which contains squalene as a major component is a strong precursor for the four above-mentioned compounds plus nonanal and decanal. The accidental touching of material

  17. Concentration dependences of the physicochemical properties of a water-acetone system

    NASA Astrophysics Data System (ADS)

    Fedyaeva, O. A.; Poshelyuzhnaya, E. G.

    2017-01-01

    Concentration dependences of the UV spectrum, refractive index, specific electrical conductivity, boiling point, pH, surface tension, and heats of dissolution of a water-acetone system on the amount of acetone in the water are studied. It is found that the reversible protolytic interaction of the components occurs in all such solutions, resulting in the formation of hydroxyl and acetonium ions. It is shown that shifts of the equilibrium between the molecules and ions in the solution leads to extreme changes in their electrical properties. It is concluded that the formation of acetone solutions of water is accompanied by heat absorption, while the formation of aqueous solutions of acetone is accompanied by heat release.

  18. Electrocatalytic reduction of acetone in a proton-exchange-membrane reactor: a model reaction for the electrocatalytic reduction of biomass.

    PubMed

    Green, Sara K; Tompsett, Geoffrey A; Kim, Hyung Ju; Bae Kim, Won; Huber, George W

    2012-12-01

    Acetone was electrocatalytically reduced to isopropanol in a proton-exchange-membrane (PEM) reactor on an unsupported platinum cathode. Protons needed for the reduction were produced on the unsupported Pt-Ru anode from either hydrogen gas or electrolysis of water. The current efficiency (the ratio of current contributing to the desired chemical reaction to the overall current) and reaction rate for acetone conversion increased with increasing temperature or applied voltage for the electrocatalytic acetone/water system. The reaction rate and current efficiency went through a maximum with respect to acetone concentration. The reaction rate for acetone conversion increased with increasing temperature for the electrocatalytic acetone/hydrogen system. Increasing the applied voltage for the electrocatalytic acetone/hydrogen system decreased the current efficiency due to production of hydrogen gas. Results from this study demonstrate the commercial feasibility of using PEM reactors to electrocatalytically reduce biomass-derived oxygenates into renewable fuels and chemicals.

  19. Thz Spectroscopy of 13C Isotopic Species of a "weed": Acetaldehyde

    NASA Astrophysics Data System (ADS)

    Margulès, L.; Motiyenko, R. A.; Guillemin, J.-C.

    2011-06-01

    Our studies of the isotopic species of 13C and D isotopologues of methyl formate (HCOOCH_3), have allowed the detection of more than 600 lines in Orion. This confirms that many observed U-lines are coming from isotopic species of one of the most abundant molecules in space. Since its first detection in 1976 in SgrB2 and in Orion A, acetaldehyde (CH_3CHO) was detected in many other numerous objects. If its deuterated species (CD_3CHO and CH_3CDO) have been previously studied in the millimeterwave range, the data concerning the 13C species are limited to few lines measured in 1957 up to 40 GHz. In this context we decided to study the 13C species of acetaldehyde. Acetaldehyde molecule displays a large amplitude motion: the hindered rotation of the methyl group with respect to the rest of the molecule. The analysis is performed with the Rho Axis Method. Recent versions of the codes include high orders term in order to reproduce the observed frequencies for large quantum numbers values as J-values as high as 70a,b,. Measurements and analysis of the rotational spectra of 13C isotopic species are in progress in Lille with a solid-state submillimetre-wave spectrometer (50-950 GHz), the first results will be presented. This work is supported by the contract ANR-08-BLAN-0054 and by the Programme National de Physico-Chimie du Milieu Interstellaire (PCMI-CNRS). Carvajal, M.; Margulès, L.; Tercero, B.; et al.A&A 500, (2009) 1109 Margulès, L.; Huet, T. R.; Demaison J.; et al.,ApJ 714, (2010) 1120. Ikeda, M.; Ohishi, M.; Nummelin, A.; et al., ApJ, 560, (2001) 792 Kleiner, I.; Lopez, J.-C.; Blanco, S.; et al.J. Mol. Spectrosc. 197, (1999) 275 Elkeurti M.; Coudert, L. H.; Medvedev, I. R.; et al.J. Mol. Spectrosc. 263, (2010) 145 Kilb, R.W.; Lin, C.C.; and Wilson, E.B.J. Chem. Phys. 26, (1957) 1695 Kleiner, I. J. Mol. Spectrosc. 260, (2010) 1 Ilyushin, V.V.; Kryvda, A; and Alekseev, E;J. Mol. Spectrosc. 255, (2009) 32

  20. Quantitative Determination of Acetaldehyde in Foods Using Automated Digestion with Simulated Gastric Fluid Followed by Headspace Gas Chromatography

    PubMed Central

    Uebelacker, Michael; Lachenmeier, Dirk W.

    2011-01-01

    Acetaldehyde (ethanal) is a genotoxic carcinogen, which may occur naturally or as an added flavour in foods. We have developed an efficient method to analyze the compound in a wide variety of food matrices. The analysis is conducted using headspace (HS) gas chromatography (GC) with flame ionization detector. Using a robot autosampler, the samples are digested in full automation with simulated gastric fluid (1 h at 37°C) under shaking, which frees acetaldehyde loosely bound to matrix compounds. Afterwards, an aliquot of the HS is injected into the GC system. Standard addition was applied for quantification to compensate for matrix effects. The precision of the method was sufficient (<3% coefficient of variation). The limit of detection was 0.01 mg/L and the limit of quantification was 0.04 mg/L. 140 authentic samples were analyzed. The acetaldehyde content in apples was 0.97 ± 0.80 mg/kg, orange juice contained 3.86 ± 2.88 mg/kg. The highest concentration was determined in a yoghurt (17 mg/kg). A first-exposure estimation resulted in a daily acetaldehyde intake of less than 0.1 mg/kg bodyweight from food, which is considerably lower than the exposures from alcohol consumption or tobacco smoking. PMID:21747735

  1. Theoretical study on the mechanism of cycloaddition reaction between silylene silylene(H₂Si=Si:) and acetaldehyde.

    PubMed

    Lu, Xiuhui; Shi, Leyi; Ji, Hua

    2012-11-01

    The mechanism of the cycloaddition reaction between singlet silylene silylene (H₂Si=Si:) and acetaldehyde has been investigated with CCSD(T)//MP2/6-31G* and CCSD(T)//MP2/6-31G** method, from the potential energy profile, we could predict that the reaction has three competitive dominant reaction pathways. The present rule of this reaction is that the 3p unoccupied orbital of the Si: atom in silylene silylene (H₂Si=Si:) inserts on the π orbital of acetaldehyde from oxygen side, resulting in the formation of an intermediate. Isomerization of the intermediate further leads to the generation of a four-membered ring silylene (the H₂Si-O in the opposite position). In addition, the [2 + 2] cycloaddition reaction of the two π-bonds in silylene silylene and acetaldehyde generates another four-membered ring silylene (the H₂Si-O in the syn-position). Because of the unsaturated property of Si: atom in the two four-membered ring silylenes, they could further react with acetaldehyde, resulting in the generation of two spiro-heterocyclic ring compounds with Si. Simultaneously, the ring strain of the four-membered ring silylene (the H₂Si-O in the syn-position) makes it isomerize to a twisted four-membered ring product.

  2. Quantitative determination of acetaldehyde in foods using automated digestion with simulated gastric fluid followed by headspace gas chromatography.

    PubMed

    Uebelacker, Michael; Lachenmeier, Dirk W

    2011-01-01

    Acetaldehyde (ethanal) is a genotoxic carcinogen, which may occur naturally or as an added flavour in foods. We have developed an efficient method to analyze the compound in a wide variety of food matrices. The analysis is conducted using headspace (HS) gas chromatography (GC) with flame ionization detector. Using a robot autosampler, the samples are digested in full automation with simulated gastric fluid (1 h at 37°C) under shaking, which frees acetaldehyde loosely bound to matrix compounds. Afterwards, an aliquot of the HS is injected into the GC system. Standard addition was applied for quantification to compensate for matrix effects. The precision of the method was sufficient (<3% coefficient of variation). The limit of detection was 0.01 mg/L and the limit of quantification was 0.04 mg/L. 140 authentic samples were analyzed. The acetaldehyde content in apples was 0.97 ± 0.80 mg/kg, orange juice contained 3.86 ± 2.88 mg/kg. The highest concentration was determined in a yoghurt (17 mg/kg). A first-exposure estimation resulted in a daily acetaldehyde intake of less than 0.1 mg/kg bodyweight from food, which is considerably lower than the exposures from alcohol consumption or tobacco smoking.

  3. An acetaldehyde-sequestering agent inhibits appetitive reinforcement and behavioral stimulation induced by ethanol in preweanling rats.

    PubMed

    Pautassi, Ricardo Marcos; Nizhnikov, Michael E; Fabio, Ma Carolina; Spear, Norman E

    2011-01-01

    Ethanol's motivational consequences have been related to the actions of acetaldehyde, a metabolic product of ethanol oxidation. The present study assessed the role of acetaldehyde in the motivational effects of ethanol on preweanling rats. In Experiment 1 pups (postnatal days 13-14, PD 13-14) were given systemic administration of D-penicillamine (DP, a drug that sequesters acetaldehyde: 0, 25, 50 or 75 mg/kg) before pairings of 1.0 g/kg ethanol and a rough surface (sandpaper, conditioned stimulus, CS). At test, pups given sandpaper-ethanol pairings exhibited greater preference for the CS than unpaired controls, but this preference was not expressed by pups given DP. Pre-training administration of 25 or 50 mg/kg DP completely blocked the expression of ethanol-mediated appetitive conditioning. D-penicillamine did not alter blood ethanol levels. Subsequent experiments revealed that ethanol-induced activation was blocked by central (intra-cisterna magna injections, volume: 1 μl, dose: 0 or 75 μg) but not systemic treatment with DP (0, 25, 50 or 75 mg/kg; ip). These results indicate that: (a) preweanling rats are sensitive to the reinforcing effect of ethanol, and (b) that this effect is associated with the motor activating effect of the drug. These effects seem to be mediated by the first metabolite of ethanol, acetaldehyde.

  4. AN ACETALDEHYDE-SEQUESTERING AGENT INHIBITS APPETITIVE REINFORCEMENT AND BEHAVIORAL STIMULATION INDUCED BY ETHANOL IN PREWEANLING RATS

    PubMed Central

    Pautassi, Ricardo Marcos; Nizhnikov, Michael E.; Fabio, Ma. Carolina; Spear, Norman E.

    2010-01-01

    Ethanol's motivational consequences have been related to the actions of acetaldehyde, a metabolic product of ethanol oxidation. The present study assessed the role of acetaldehyde in the motivational effects of ethanol on pre-weanling rats. In Experiment 1 pups (postnatal days 13–14, PD 13–14) were given systemic administration of d-penicillamine (DP, a drug that sequesters acetaldehyde: 0, 25, 50 or 75 mg/kg) before pairings of 1.0 g/kg ethanol and a rough surface (sandpaper, conditioned stimulus, CS). At test, pups given sandpaper-ethanol pairings exhibited greater preference for the CS than unpaired controls, but this preference was not expressed by pups given DP. Pre-training administration of 25 or 50 mg/kg DP completely blocked the expression of ethanol-mediated appetitive conditioning. D-penicillamine did not alter blood ethanol levels. Subsequent experiments revealed that ethanol-induced activation was blocked by central (intra-cisterna magna injections, volume: 1 μl, dose: 0 or 75 μg) but not systemic treatment with DP (0, 25, 50 or 75 mg/kg; ip). These results indicate that: (a) pre-weanling rats are sensitive to the reinforcing effect of ethanol, and (b) that this effect is associated with the motor activating effect of the drug. These effects seem to be mediated by the first metabolite of ethanol, acetaldehyde. PMID:20951160

  5. Ionization energy of acetone by vacuum ultraviolet mass-analyzed threshold ionization spectrometry

    NASA Astrophysics Data System (ADS)

    Kim, Jae Han; Kang, Do Won; Hong, Yong Jun; Hwang, Hyonseok; Kim, Hong Lae; Kwon, Chan Ho

    2013-04-01

    Mass-analyzed threshold ionization (MATI) time-of-flight mass spectrometer using coherent vacuum ultraviolet (VUV) laser generated by four-wave difference frequency mixing (FWDFM) in Kr has been constructed and utilized to obtain the accurate ionization energy of acetone. From the MATI onsets measured from various applied pulsed fields, the ionization energy to the ionic ground state of acetone has been determined to be 9.7074 ± 0.0019 eV.

  6. Biogeochemical Cycle of Methanol in Anoxic Deep-Sea Sediments.

    PubMed

    Yanagawa, Katsunori; Tani, Atsushi; Yamamoto, Naoya; Hachikubo, Akihiro; Kano, Akihiro; Matsumoto, Ryo; Suzuki, Yohey

    2016-06-25

    The biological flux and lifetime of methanol in anoxic marine sediments are largely unknown. We herein reported, for the first time, quantitative methanol removal rates in subsurface sediments. Anaerobic incubation experiments with radiotracers showed high rates of microbial methanol consumption. Notably, methanol oxidation to CO2 surpassed methanol assimilation and methanogenesis from CO2/H2 and methanol. Nevertheless, a significant decrease in methanol was not observed after the incubation, and this was attributed to the microbial production of methanol in parallel with its consumption. These results suggest that microbial reactions play an important role in the sources and sinks of methanol in subseafloor sediments.

  7. Acetone vapor fiber sensor based on side polished fiber coated with cholesteric liquid crystal

    NASA Astrophysics Data System (ADS)

    Tang, Jieyuan; Chen, Zhe; Luo, Yunhan; Yu, Jianhui; Lu, Huihui; Zhang, Jun; Hsiao, Vincent K. S.

    2015-09-01

    The organic acetone vapor sensing characteristics of side-polished fiber coating with cholesteric liquid crystal film were investigated. The cholesteric liquid crystal used in our experiments is a mixture compound, which contains 30% cholesteryl oleyl carbonate, 60% cholesteryl pelargonat, and 25% cholesteryl chloride. When cholesteric liquid crystal film was coated on the surface of side-polished fiber, an interference transmission spectrum of fiber could be observed. When the fiber is exposing in acetone vapor, a blue shift of the interference spectrum was found. The higher concentration of acetone vapor is, the larger blue shift of spectrum is found. The shift of transmission spectrum is linear to the concentration of acetone vapor. The sensitivity is 1.356nm/vol% when the concentration of acetone vapor ranges from 3vol% to 16vol%. This study demonstrates a new all-fiber low-cost and portable acetone vapor sensor. It can be also used to investigate the helical structure and molecular orientation of cholesteric liquid crystal.

  8. Stability and interface properties of thin cellulose ester films adsorbed from acetone and ethyl acetate solutions.

    PubMed

    Amim, Jorge; Kosaka, Priscila M; Petri, Denise F S; Maia, Francisco C B; Miranda, Paulo B

    2009-04-15

    Stability and interface properties of cellulose acetate propionate (CAP) and cellulose acetate butyrate (CAB) films adsorbed from acetone or ethyl acetate onto Si wafers have been investigated by means of contact angle measurements and atomic force microscopy (AFM). Surface energy (gamma(S)(total)) values determined for CAP adsorbed from acetone are larger than those from ethyl acetate. In the case of CAB films adsorbed from ethyl acetate and acetone were similar. Dewetting was observed by AFM only for CAP films prepared from ethyl acetate. Positive values of effective Hamaker constant (A(eff)) were found only for CAP prepared from ethyl acetate, corroborating with dewetting phenomena observed by AFM. On the contrary, negative values of A(eff) were determined for CAP and CAB prepared from acetone and for CAB prepared from ethyl acetate, corroborating with experimental observations. Sum frequency generation (SFG) vibrational spectra indicated that CAP and CAB films prepared from ethyl acetate present more alkyl groups oriented perpendicularly to the polymer-air interface than those films prepared from acetone. Such preferential orientation corroborates with macroscopic contact angle measurements. Moreover, SFG spectra showed that acetone binds strongly to Si wafers, creating a new surface for CAP and CAB films.

  9. The photochemistry of acetone in the upper troposphere: A source of odd-hydrogen radicals

    NASA Astrophysics Data System (ADS)

    McKeen, S. A.; Gierczak, T.; Burkholder, J. B.; Wennberg, P. O.; Hanisco, T. F.; Keim, E. R.; Gao, R.-S.; Liu, S. C.; Ravishankara, A. R.; Fahey, D. W.

    This paper summarizes measured photodissociation quantum yields for acetone in the 290-320 nm wavelength region for pressures and temperatures characteristic of the upper troposphere. Calculations combine this laboratory data with trace gas concentrations obtained during the NASA and NOAA sponsored Stratospheric Tracers of Atmospheric Transport (STRAT) field campaign, in which measurements of OH, HO2, odd-nitrogen, and other compounds were collected over Hawaii, and west of California during fall and winter of 1995/1996. OH and HO2 concentrations within 2 to 5 km layers just below the tropopause are ∼50% larger than expected from O3, CH4, and H2O chemistry alone. Although not measured during STRAT, acetone is inferred from CO measurements and acetone-CO correlations from a previous field study. These inferred acetone levels are a significant source of odd-hydrogen radicals that can explain a large part of the discrepancy in the upper troposphere. For lower altitudes, the inferred acetone makes a negligible contribution to HOx (HO+HO2), but influences NOy partitioning. A major fraction of HOx production by acetone is through CH2O formation, and the HOx discrepancy can also be explained by CH2O levels in the 20 to 50 pptv range, regardless of the source.

  10. Acetone and monoterpene emissions from the boreal forest in northern Europe

    NASA Astrophysics Data System (ADS)

    Janson, Robert; de Serves, Claes

    Acetone is a ubiquitous component of the atmosphere which, by its photolysis, can play an important role in photochemical reactions in the free troposphere. This paper investigates the biogenic source of acetone from Scots pine ( Pinus sylvestris) and Norway spruce ( Picea abies) in the Scandinavian boreal zone. Branch emission measurements of acetone, monoterpenes, and isoprene were made with an all-Teflon flow-through branch chamber from five specimens of Scots pine at three sites in Sweden and Finland, and from one specimen of Norway spruce at one site in Sweden. Acetone samples were taken with SepPak™ DNPH cartridges, monoterpenes with Tenax TA, and isoprene with 3 l electropolished canisters. Acetone was found to dominate the carbonyl emission of both Scots pine and Norway spruce, as large as the monoterpene emissions and for Norway spruce, as the isoprene emission. The average standard emission rate (30°C) and average β-coefficient for the temperature correlation for 5 specimens of Scots pine were 870 ng C gdw -1 h -1 (gdw=gram dry weight) and 0.12, respectively. For the monoterpenes the values were 900 ng C gdw -1 h -1 and 0.12, respectively. The standard emission rate (30°C) for acetone from Norway spruce was 265 ng C gdw -1 h -1, but the sparsity of data, along with the unusual weather conditions at the time of the measurements, precludes the establishment of a summertime best estimate emission factor.

  11. Acetone and isopropanol in ruminal fluid and feces of lactating dairy cows.

    PubMed

    Sato, Hiroshi; Shiogama, Yumiko

    2010-03-01

    Acetone and its metabolite isopropanol are produced by gut microbes as well as by the host's metabolism. To evaluate the production of acetone and isopropanol in alimentary tracts, a total of 80 pair-samples of feces and ruminal fluid were taken in lactating dairy cows that had been fed silage-containing diets. Acetone and isopropanol were analyzed, together with ethanol and volatile fatty acids (VFAs). Isopropanol was detected in 57 fecal and all the ruminal samples; however, the ruminal isopropanol and ethanol concentrations were distinctly lower than those in the feces. Acetone was detected in 13 fecal and 53 ruminal samples; however, there was no significant difference in acetone concentrations between the feces and the ruminal fluid. The group with higher fecal isopropanol concentration showed higher fecal proportions of acetate accompanied by low proportion of minor VFA, which consisted of isobutyrate and iso- and n-valerate. In the group with higher ruminal isopropanol concentration, ethanol concentration was higher; the ruminal VFA profiles showed only a negligible difference. Fecal and ruminal ethanol concentrations were not affected by feed ethanol. Thus, the colon showed an accelerated alcoholic fermentation compared with the rumen of dairy cows; however, acetone was present at higher frequency in the rumen than in the feces.

  12. Lipid peroxidation and antioxidant system in rats acutely treated with acetone.

    PubMed

    Mathias, M G; Almeida, B B de; Bueno, J E; Portari, G V; Jordao, A A

    2010-06-01

    Cascades of metabolic changes leading to acetone production are induced in states of energy catabolism such as starvation or the use of a ketogenic diet. The reduced capacity for cell detoxification or the increased generation of free radicals is responsible for the toxic effect of acetone. The objective of the present study was to determine the effects of acute treatment (AT) with acetone on the oxidative and metabolic status of rats. The AT group (n=16) was treated by gavage with a single administration of 7.0 g acetone/kg body weight at a concentration of 25% (m/v). Eight rats were euthanized 6 h later (AT6) and eight 24 h later (AT24). Acetone levels were determined in blood and urine and oxidative parameters were analyzed by determining thiobarbituric acid reactive species (TBARS, indicators of lipid peroxidation) and reduced glutathione (GSH) and vitamin E as antioxidant parameters. Serum glucose, blood cholesterol and triglycerieds and hepatic fat were also determined. The results indicated a significant difference in the hepatic oxidative parameters, serum glucose and in plasma triglycerides between the groups. Thus, we conclude that the administration of acute acetone doses can promote changes in some biochemical parameters and in the hepatic oxidative profile.

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

    PubMed

    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.

  14. Acetone production in solventogenic Clostridium species: new insights from non-enzymatic decarboxylation of acetoacetate.

    PubMed

    Han, Bei; Gopalan, Venkat; Ezeji, Thaddeus Chukwuemeka

    2011-08-01

    Development of a butanologenic strain with high selectivity for butanol production is often proposed as a possible route for improving the economics of biobutanol production by solventogenic Clostridium species. The acetoacetate decarboxylase (aadc) gene encoding acetoacetate decarboxylase (AADC), which catalyzes the decarboxylation of acetoacetate into acetone and CO(2), was successfully disrupted by homologous recombination in solventogenic Clostridium beijerinckii NCIMB 8052 to generate an aadc ( - ) mutant. Our fermentation studies revealed that this mutant produces a maximum acetone concentration of 3 g/L (in P2 medium), a value comparable to that produced by wild-type C. beijerinckii 8052. Therefore, we postulated that AADC-catalyzed decarboxylation of acetoacetate is not the sole means for acetone generation. Our subsequent finding that non-enzymatic decarboxylation of acetoacetate in vitro, under conditions similar to in vivo acetone-butanol-ethanol (ABE) fermentation, produces 1.3 to 5.2 g/L acetone between pH 6.5 and 4 helps rationalize why various knock-out and knock-down strategies designed to disrupt aadc in solventogenic Clostridium species did not eliminate acetone production during ABE fermentation. Based on these results, we discuss alternatives to enhance selectivity for butanol production.

  15. A modified pathway for the production of acetone in Escherichia coli.

    PubMed

    May, Antje; Fischer, Ralf-Jörg; Maria Thum, Simone; Schaffer, Steffen; Verseck, Stefan; Dürre, Peter; Bahl, Hubert

    2013-01-01

    A modified synthetic acetone operon was constructed. It consists of two genes from Clostridium acetobutylicum (thlA coding for thiolase and adc coding for acetoacetate decarboxylase) and one from Bacillus subtilis or Haemophilus influenzae (teII(srf) or ybgC, respectively, for thioesterase). Expression of this operon in Escherichia coli resulted in the production of acetone starting from the common metabolite acetyl-CoA via acetoacetyl-CoA and acetoacetate. The thioesterases do not need a CoA acceptor for acetoacetyl-CoA hydrolysis. Thus, in contrast to the classic acetone pathway of Clostridium acetobutylicum and related microorganisms which employ a CoA transferase, the new pathway is acetate independent. The genetic background of the host strains was crucial. Only E. coli strains HB101 and WL3 were able to produce acetone via the modified plasmid based pathway, up to 64mM and 42mM in 5-ml cultures, respectively. Using glucose fed-batch cultures the concentration could be increased up to 122mM acetone with HB101 carrying the recombinant plasmid pUC19ayt (thioesterase from H. influenzae). The formation of acetone led to a decreased acetate production by E. coli.

  16. Acetaldehyde Stimulation of Net Gluconeogenic Carbon Movement from Applied Malic Acid in Tomato Fruit Pericarp Tissue 12

    PubMed Central

    Halinska, Anna; Frenkel, Chaim

    1991-01-01

    Applied acetaldehyde is known to lead to sugar accumulation in fruit including tomatoes (Lycopersicon esculentum) (O Paz, HW Janes, BA Prevost, C Frenkel [1982] J Food Sci 47: 270-274) presumably due to stimulation of gluconeogenesis. This conjecture was examined using tomato fruit pericarp discs as a test system and applied i-[U-14C]malic acid as the source for gluconeogenic carbon mobilization. The label from malate was recovered in respiratory CO2, in other organic acids, in ethanol insoluble material, and an appreciable amount in the ethanol soluble sugar fraction. In Rutgers tomatoes, the label recovery in the sugar fraction and an attendant label reduction in the organic acids fraction intensified with fruit ripening. In both Rutgers and in the nonripening tomato rin, these processes were markedly stimulated by 4000 ppm acetaldehyde. The onset of label apportioning from malic acids to sugars coincided with decreased levels of fructose-2,6-biphosphate, the gluconeogenesis inhibitor. In acetaldehyde-treated tissues, with enhanced label mobilization, this decline reached one-half to one third of the initial fructose-2,6-biphosphate levels. Application of 30 micromolar fructose-2,6-biphosphate or 2,5-anhydro-d-mannitol in turn led to a precipitous reduction in the label flow to sugars presumably due to inhibition of fructose-1,6-biphosphatase by the compounds. We conclude that malic and perhaps other organic acids are carbon sources for gluconeogenesis occurring normally in ripening tomatoes. The process is stimulated by acetaldehyde apparently by attenuating the fructose-2,6-biphosphate levels. The mode of the acetaldehyde regulation of fructose-2,6-biphosphate metabolism awaits clarification. PMID:16668078

  17. Preparation and photocatalytic properties of TiO2/mica composite for acetaldehyde degradation

    NASA Astrophysics Data System (ADS)

    Ozawa, Masakuni; Matui, Hidetomo; Suzuki, Suguru

    2016-01-01

    TiO2/mica composite was prepared by mixing mica and acidic solution of hydrolyzed titanium tetraisopropoxide, and characterized by X-ray diffraction (XRD), thermogravimetry and differential thermal analysis (TG-DTA), and N2 adsorption measurement. The results of experiments showed that the material had a catalytic composite powder structure containing pillared fragments with TiO2 after calcination at 300-800 °C. The resulting TiO2/mica exhibited good thermal stability, as indicated by its porosity and surface area, and interlayer stability of powders after calcination at 800 °C. The photocatalytic performances of these porous mica/TiO2 composites were evaluated by gaseous acetaldehyde degradation. The superior photocatalyic property was demonstrated and the maximum removal efficiency was up to 99% within 90 min, and the reaction kinetics was discussed.

  18. Validation and Determination of the Contents of Acetaldehyde and Formaldehyde in Foods

    PubMed Central

    Jeong, Hye-Seung; Chung, Hyun; Song, Sang-Hoon; Kim, Cho-Il; Lee, Joon-Goo

    2015-01-01

    The aim of this study was to develop an efficient quantitative method for the determination of acetaldehyde (AA) and formaldehyde (FA) contents in solid and liquid food matrices. The determination of those compounds was validated and performed using gas chromatography-mass spectrometry combined by solid phase micro-extraction after derivatization with O-(2,3,4,5,6-pentafluoro-benzyl)-hydroxylamine hydrochloride. Validation was carried out in terms of limit of detection, limit of quantitation, linearity, precision, and recovery. Then their contents were analyzed in various food samples including 15 fruits, 22 milk products, 31 alcohol-free beverages, and 13 alcoholic beverages. The highest contents of AA and FA were determined in a white wine (40,607.02 ng/g) and an instant coffee (1,522.46 ng/g), respectively. PMID:26483886

  19. The laboratory spectrum of acetaldehyde at 1 millimeter (230-325 GHz)

    NASA Technical Reports Server (NTRS)

    Barclay, W. L., Jr.; Anderson, M. A.; Ziurys, L. M.; Kleiner, I.; Hougen, J. T.

    1993-01-01

    The rotational spectrum of acetaldehyde (CH3CHO) in the frequency range 230-325 GHz has been measured in the laboratory using millimeter/submillimeter direct absorption spectroscopy. Over 250 transition frequencies are presented for this molecule for both A and E symmetry species in its ground (upsilon(sub t) = 0) and first excited (upsilon(sub t) = 1) torsional state, with experimental uncertainties of +/- 50 kHz. The data were fitted with a model involving an internal rotation potential function, which typically reproduces the measured frequencies to nu(sub obs) - nu(sub calc) less than or approximately 50 kHz for both ground and upsilon(sub t) = 1 state. These newly measured rest frequencies should aid in the identification of interstellar CH3CHO and in spectral line assignments for millimeter-band scans.

  20. Rate constant for the reaction of atomic chlorine with acetaldehyde from 210 to 343 K

    SciTech Connect

    Payne, W.A.; Nava, D.F.; Nesbitt, F.L.; Stief, L.J. )

    1990-09-06

    The absolute rate constant for the reaction of atomic chlorine with acetaldehyde has been measured from 210 to 343 K by use of the flash photolysis-resonance fluorescence technique. The rate constant is shown to be independent of variations in (CH{sub 3}CHO), total pressure (Ar), and, to a lesser extent, flash intensity (initial (Cl)). The rate constant is also independent of temperature over the range studied. The average of all experiments yields k{sub 1} = (6.6 {plus minus} 1.4) {times} 10{sup {minus}11} cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}, where the error limit is two standard deviations. This result is compared with previous measurements of k{sub 1}, all of which were relative measurements at 298 K.

  1. Theoretical study on the mechanism and kinetics of acetaldehyde and hydroperoxyl radical: An important atmospheric reaction

    NASA Astrophysics Data System (ADS)

    Farnia, Solaleh; Vahedpour, Morteza; Abedi, Mostafa; Farrokhpour, Hossein

    2013-09-01

    A systematic theoretical study was performed on the mechanism and kinetics of the atmospheric reaction of acetaldehyde (CH3CHO) and hydroperoxyl radical (HO2) in the gas phase. The DFT-B3LYP/6-311++G(3df,3pd) and CCSD(T)/6-311++G(d,p) methods were employed for calculations. Based on the calculations, this reaction leads to four different products through radical addition and hydrogen abstraction mechanisms which are very important in atmospheric and combustion chemistry. The favorable reaction paths begin with α-hydroxyethylperoxy radical, CH3CH(OO)OH, in a exothermic process and finally leads to the product P1 (CH3COOH + OH). The overall rate constants for favorite reaction paths have been calculated at different temperatures (200-2500 K).

  2. Brain Acetaldehyde Exposure Impacts upon Neonatal Respiratory Plasticity and Ethanol-Related Learning in Rodents

    PubMed Central

    Acevedo, María B.; D'Aloisio, Génesis; Haymal, Olga B.; Molina, Juan C.

    2017-01-01

    Prior studies indicate that neonates are very sensitive to ethanol's positive reinforcing effects and to its depressant effects upon breathing. Acetaldehyde (ACD) appears to play a major role in terms of modulating early reinforcing effects of the drug. Yet, there is no pre-existing literature relative to the incidence of this metabolite upon respiratory plasticity. The present study analyzed physiological and behavioral effects of early central administrations of ethanol, acetaldehyde or vehicle. Respiration rates (breaths/min) were registered at post-natal days (PDs) 2 and 4 (post-administration time: 5, 60, or 120 min). At PD5, all pups were placed in a context (plethysmograph) where they had previously experienced the effects of central administrations and breathing patterns were recorded. Following this test, pups were evaluated using and operant conditioning procedure where ethanol or saccharin served as positive reinforcers. Body temperatures were also registered prior to drug administrations as well as at the beginning and the end of each specific evaluation. Across days, breathing responses were high at the beginning of the evaluation session and progressively declined as a function of the passage of time. At PDs 2 and 4, shortly after central administration (5 min), ACD exerted a significant depression upon respiration frequencies. At PD5, non-intoxicated pups with a prior history of ACD central administrations, exhibited a marked increase in respiratory frequencies; a result that probably indicates a conditioned compensatory response. When operant testing procedures were conducted, prior ethanol or ACD central administrations were found to reduce the reinforcing effects of ethanol. This was not the case when saccharin was employed as a reinforcer. As a whole, the results indicate a significant role of central ACD upon respiratory plasticity of the neonate and upon ethanol's reinforcing effects; phenomena that affect the physiological integrity of the

  3. A Diode Laser Study of the Catalytic Oxidation Dynamics of Acetaldehyde on Polycrystalline Platinum

    NASA Astrophysics Data System (ADS)

    Edington, Sean Coleman

    The catalytic oxidation of acetaldehyde on platinum was studied using a flow reactor equipped with a tunable diode laser absorption spectrometer and a quadrupole mass spectrometer. Reaction mixtures containing this molecule in varying proportion with oxygen and with argon as a carrier gas were flowed over a polycrystalline platinum mesh, which was resistively heated to different temperatures between 700 and 1000 K. The products of these reactions were monitored using mass spectrometry and the state-resolved spectra of CO 2 produced were collected using high-resolution tunable diode laser absorption spectroscopy. These data were analyzed to yield information about the dynamics of the reaction. Results indicate that production of CO and CO2 by this reaction proceeds via two distinct pathways. Acetaldehyde adsorbed on the surface decomposes to acetyl, which in turn decomposes CO and CHx. The adsorbed CO so prepared desorbs to yield the bulk of CO generated across all reaction conditions and also yields CO2 with a relatively deactivated asymmetric stretching mode under conditions of high temperature and low oxygen coverage. The acetyl-derived CHx dehydrogenates to yield surface carbon and H adatoms. Total oxidation of this surface carbon is the primary source of CO2 produced under all reaction conditions except those mentioned previously and is found to yield products with a preferentially excited asymmetric stretch. Combination of the CHx-derived H adatoms with surface oxygen drives the production of water by this reaction. During the course of the work described here, two notable improvements were made to our experimental apparatus. The first of these was the modification of the data acquisition process to significantly improve the signal-to-noise ratio achievable by our laser spectrometer with no increase in data collection time. The second was the development of data analysis software which significantly improved the efficiency and thoroughness of the process by

  4. Malondialdehyde-acetaldehyde (MAA) adducted proteins bind to scavenger receptor A in airway epithelial cells

    PubMed Central

    Berger, John P.; Simet, Samantha M.; DeVasure, Jane M.; Boten, Jessica A.; Sweeter, Jenea M.; Kharbanda, Kusum K.; Sisson, Joseph H.; Wyatt, Todd A.

    2014-01-01

    Co-exposure to cigarette smoke and ethanol generates malondialdehyde and acetaldehyde, which can subsequently lead to the formation of aldehyde-adducted proteins. We have previously shown that exposure of bronchial epithelial cells to malondialdehyde-acetaldehyde (MAA) adducted protein increases protein kinase C (PKC) activity and proinflammatory cytokine release. A specific ligand to scavenger receptor A (SRA), fucoidan, blocks this effect. We hypothesized that MAA-adducted protein binds to bronchial epithelial cells via SRA. Human bronchial epithelial cells (BEAS-2B) were exposed to MAA-adducted protein (either bovine serum albumin [BSA-MAA] or surfactant protein D [SPD-MAA]) and SRA examined using confocal microscopy, fluorescent activated cell sorting (FACS), and immunoprecipitation. Differentiated mouse tracheal epithelial cells (MTEC) cultured by air-liquid interface were assayed for MAA-stimulated PKC activity and keratinocyte-derived chemokine (KC) release. Specific cell surface membrane dye co-localized with upregulated SRA after exposure to MAA for 3–7 min and subsided by 20 min. Likewise, MAA-adducted protein co-localized to SRA from 3–7 min with a subsequent internalization of MAA by 10 min. These results were confirmed using FACS analysis and revealed a reduced mean fluorescence of SRA after 3 min. Furthermore, increased amounts of MAA-adducted protein could be detected by Western blot in immunoprecipitated SRA samples after 3 min treatment with MAA. MAA stimulated PKCε-mediated KC release in wild type, but not SRA knockout mice. These data demonstrate that aldehyde-adducted proteins in the lungs rapidly bind to SRA and internalize this receptor prior to the MAA-adducted protein stimulation of PKC-dependent inflammatory cytokine release in airway epithelium. PMID:24880893

  5. Malondialdehyde-acetaldehyde (MAA) adducted proteins bind to scavenger receptor A in airway epithelial cells.

    PubMed

    Berger, John P; Simet, Samantha M; DeVasure, Jane M; Boten, Jessica A; Sweeter, Jenea M; Kharbanda, Kusum K; Sisson, Joseph H; Wyatt, Todd A

    2014-08-01

    Co-exposure to cigarette smoke and ethanol generates malondialdehyde and acetaldehyde, which can subsequently lead to the formation of aldehyde-adducted proteins. We have previously shown that exposure of bronchial epithelial cells to malondialdehyde-acetaldehyde (MAA) adducted protein increases protein kinase C (PKC) activity and proinflammatory cytokine release. A specific ligand to scavenger receptor A (SRA), fucoidan, blocks this effect. We hypothesized that MAA-adducted protein binds to bronchial epithelial cells via SRA. Human bronchial epithelial cells (BEAS-2B) were exposed to MAA-adducted protein (either bovine serum albumin [BSA-MAA] or surfactant protein D [SPD-MAA]) and SRA examined using confocal microscopy, fluorescent activated cell sorting (FACS), and immunoprecipitation. Differentiated mouse tracheal epithelial cells (MTEC) cultured by air-liquid interface were assayed for MAA-stimulated PKC activity and keratinocyte-derived chemokine (KC) release. Specific cell surface membrane dye co-localized with upregulated SRA after exposure to MAA for 3-7 min and subsided by 20 min. Likewise, MAA-adducted protein co-localized to SRA from 3 to 7 min with a subsequent internalization of MAA by 10 min. These results were confirmed using FACS analysis and revealed a reduced mean fluorescence of SRA after 3 min. Furthermore, increased amounts of MAA-adducted protein could be detected by Western blot in immunoprecipitated SRA samples after 3 min treatment with MAA. MAA stimulated PKCε-mediated KC release in wild type, but not SRA knockout mice. These data demonstrate that aldehyde-adducted proteins in the lungs rapidly bind to SRA and internalize this receptor prior to the MAA-adducted protein stimulation of PKC-dependent inflammatory cytokine release in airway epithelium.

  6. On apparent quantized transition-state thresholds in the photofragmentation of acetaldehyde

    NASA Astrophysics Data System (ADS)

    King, Rollin A.; Allen, Wesley D.; Schaefer, Henry F.

    2000-04-01

    Recent photofragmentation experiments have observed stepwise increases in the dissociation rate for CH3CHO (T1)→CH3 (X˜ 2A2″)+HCO (X˜ 2A') as a function of excitation energy. In accord with the Rice-Ramsperger-Kassel-Marcus (RRKM) form of transition-state theory, these steps were interpreted as corresponding to vibrational levels of the fragmentation transition state on the triplet surface. We have investigated this acetaldehyde dissociation using coupled cluster (CC) and density functional (DFT) methods with [C,O/H] atomic-orbital basis sets ranging in quality from [4s2p1d/2s1p] to [6s5p4d3f2g1h/5s4p3d2 f1g]. A high-level focal point analysis, along with harmonic force field computations, results in predictions of the dissociation energy, D0=1583 cm-1, and the association barrier height, V0*=3149 cm-1. With a basis set of triple-ζ plus double-polarization plus f(TZ2Pf ) quality, the DFT method UB3LYP and the CC method RCCSD predict barrier frequencies of 355i cm-1 and 516i cm-1, respectively, while the empirical value inferred from RRKM models is only 60i cm-1. The RRKM-derived frequencies for the degrees of freedom orthogonal to the reaction path are more reasonable but still not in convincing agreement with electronic structure theory. Thus, while the experimental steps in the dissociation rate of acetaldehyde (as well as ketene) have yet to be satisfactorily explained, proven ab initio methods provide strong evidence that simple RRKM fits to the k(E) profile provide misleading vibrational frequencies of the transition state on the corresponding triplet potential energy surface.

  7. Diffusion behaviour of the acetaldehyde scavenger 2-aminobenzamide in polyethylene terephthalate for beverage bottles

    PubMed Central

    Franz, Roland; Gmeiner, Margit; Gruner, Anita; Kemmer, Diana; Welle, Frank

    2016-01-01

    ABSTRACT Polyethylene terephthalate (PET) bottles are widely used as packaging material for natural mineral water. However, trace levels of acetaldehyde can migrate into natural mineral water during the shelf life and might influence the taste of the PET bottled water. 2-Aminobenzamide is widely used during PET bottle production as a scavenging agent for acetaldehyde. The aim of this study was the determination of the migration kinetics of 2-aminobenzamide into natural mineral water as well as into 20% ethanol. From the migration kinetics, the diffusion coefficients of 2-aminobenzamide in PET at 23 and 40°C were determined to be 4.2 × 10− 16 and 4.2 × 10− 15 cm2 s–1, respectively. The diffusion coefficient for 20% ethanol at 40°C was determined to be 7.7 × 10− 15 cm2 s–1, which indicates that 20% ethanol is causing swelling of the PET polymer. From a comparison of migration values between 23 and 40°C, acceleration factors of 9.7 when using water as contact medium and 18.1 for 20% ethanol as simulant can be derived for definition of appropriate accelerated test conditions at 40°C. The European Union regulatory acceleration test based on 80 kJ mol–1 as conservative activation energy overestimates the experimentally determined acceleration rates by a factor of 1.6 and 3.1, respectively. PMID:26666986

  8. Acetaldehyde production capacity of salivary microflora in alcoholics during early recovery.

    PubMed

    van Zyl, P M; Joubert, G

    2015-05-01

    This study investigated whether a relationship exists between the acetaldehyde production capacity of salivary microflora (sAPC) in recovering alcoholics, and craving, and/or resumption of drinking within 12 weeks after embarking on an abstinence-based treatment program. Serial sAPC measurements were determined by gas chromatography on spontaneous saliva samples of 30 male alcoholics on days 2, 4, 11, and 18 during a 21-day in-patient treatment program. Craving was measured simultaneously with the Penn Alcohol Craving Scale. Outcome over 12 weeks was assessed by telephone interviews. There was no significant change in sAPC values from day 2 to day 18, while craving scores decreased markedly between day 2 to day 4. Sixteen participants remained abstinent for the full 12 weeks. Statistically significant differences were found between the sAPC values of the group that remained abstinent and the group that resumed drinking within 12 weeks. The highest sAPC value measured on day 2 had a strong predictive value for maintained abstinence at 12 weeks for beer-only drinkers or drinkers consuming less than 320 g of alcohol per week. The study is the first investigation into a potential relationship between the acetaldehyde production capacity of salivary microflora and early resumption of drinking in recovering alcoholics. The findings suggest that such a relationship indeed exists for beer-only drinkers, possibly linked to lower alcohol intake, and that it is unrelated to withdrawal craving. sAPC is proposed as a candidate biomarker with diagnostic and/or prognostic potential.

  9. Diffusion behaviour of the acetaldehyde scavenger 2-aminobenzamide in polyethylene terephthalate for beverage bottles.

    PubMed

    Franz, Roland; Gmeiner, Margit; Gruner, Anita; Kemmer, Diana; Welle, Frank

    2016-01-01

    Polyethylene terephthalate (PET) bottles are widely used as packaging material for natural mineral water. However, trace levels of acetaldehyde can migrate into natural mineral water during the shelf life and might influence the taste of the PET bottled water. 2-Aminobenzamide is widely used during PET bottle production as a scavenging agent for acetaldehyde. The aim of this study was the determination of the migration kinetics of 2-aminobenzamide into natural mineral water as well as into 20% ethanol. From the migration kinetics, the diffusion coefficients of 2-aminobenzamide in PET at 23 and 40°C were determined to be 4.2 × 10(-)(16) and 4.2 × 10(-)(15) cm(2) s(-1), respectively. The diffusion coefficient for 20% ethanol at 40°C was determined to be 7.7 × 10(-)(15) cm(2) s(-1), which indicates that 20% ethanol is causing swelling of the PET polymer. From a comparison of migration values between 23 and 40°C, acceleration factors of 9.7 when using water as contact medium and 18.1 for 20% ethanol as simulant can be derived for definition of appropriate accelerated test conditions at 40°C. The European Union regulatory acceleration test based on 80 kJ mol(-1) as conservative activation energy overestimates the experimentally determined acceleration rates by a factor of 1.6 and 3.1, respectively.

  10. Mechanism of anaerobic ether cleavage: conversion of 2-phenoxyethanol to phenol and acetaldehyde by Acetobacterium sp.

    PubMed

    Speranza, Giovanna; Mueller, Britta; Orlandi, Maximilian; Morelli, Carlo F; Manitto, Paolo; Schink, Bernhard

    2002-04-05

    2-Phenoxyethanol is converted into phenol and acetate by a strictly anaerobic Gram-positive bacterium, Acetobacterium strain LuPhet1. Acetate results from oxidation of acetaldehyde that is the early product of the biodegradation process (Frings, J., and Schink, B. (1994) Arch. Microbiol. 162, 199-204). Feeding experiments with resting cell suspensions and 2-phenoxyethanol bearing two deuterium atoms at either carbon of the glycolic moiety as substrate demonstrated that the carbonyl group of the acetate derives from the alcoholic function and the methyl group derives from the adjacent carbon. A concomitant migration of a deuterium atom from C-1 to C-2 was observed. These findings were confirmed by NMR analysis of the acetate obtained by fermentation of 2-phenoxy-[2-(13)C,1-(2)H(2)]ethanol, 2-phenoxy-[1-(13)C,1-(2)H(2)]ethanol, and 2-phenoxy-[1,2-(13)C(2),1-(2)H(2)]ethanol. During the course of the biotransformation process, the molecular integrity of the glycolic unit was completely retained, no loss of the migrating deuterium occurred by exchange with the medium, and the 1,2-deuterium shift was intramolecular. A diol dehydratase-like mechanism could explain the enzymatic cleavage of the ether bond of 2-phenoxyethanol, provided that an intramolecular H/OC(6)H(5) exchange is assumed, giving rise to the hemiacetal precursor of acetaldehyde. However, an alternative mechanism is proposed that is supported by the well recognized propensity of alpha-hydroxyradical and of its conjugate base (ketyl anion) to eliminate a beta-positioned leaving group.

  11. Acetonitrile and N-Chloroacetamide Formation from the Reaction of Acetaldehyde and Monochloramine.

    PubMed

    Kimura, Susana Y; Vu, Trang Nha; Komaki, Yukako; Plewa, Michael J; Mariñas, Benito J

    2015-08-18

    Nitriles and amides are two classes of nitrogenous disinfection byproducts (DBPs) associated with chloramination that are more cytotoxic and genotoxic than regulated DBPs. Monochloramine reacts with acetaldehyde, a common ozone and free chlorine disinfection byproduct, to form 1-(chloroamino)ethanol. Equilibrium (K1) and forward and reverse rate (k1,k-1) constants for the reaction between initial reactants and 1-(chloroamino)ethanol were determined between 2 and 30 °C. Activation energies for k1 and k-1 were 3.04 and 45.2 kJ·mol(-1), respectively, and enthalpy change for K1 was -42.1 kJ·mol(-1). In parallel reactions, 1-(chloroamino)ethanol (1) slowly dehydrated (k2) to (chloroimino)ethane that further decomposed to acetonitrile and (2) was oxidized (k3) by monochloramine to produce N-chloroacetamide. Both reactions were acid/base catalyzed, and rate constants were characterized at 10, 18, and 25 °C. Modeling for drinking water distribution system conditions showed that N-chloroacetamide and acetonitrile concentrations were 5-9 times higher at pH 9.0 compared to 7.8. Furthermore, acetonitrile concentration was found to form 7-10 times higher than N-chloroacetamide under typical monochloramine and acetaldehyde concentrations. N-chloroacetamide cytotoxicity (LC50 = 1.78 × 10(-3) M) was comparable to dichloroacetamide and trichloroacetamide, but less potent than N,2-dichloroacetamide and chloroacetamide. While N-chloroacetamide was not found to be genotoxic, N,2-dichloroacetamide genotoxic potency (5.19 × 10(-3) M) was on the same order of magnitude as chloroacetamide and trichloroacetamide.

  12. Acetaldehyde as an underestimated risk factor for cancer development: role of genetics in ethanol metabolism

    PubMed Central

    Stickel, Felix

    2009-01-01

    Chronic ethanol consumption is a strong risk factor for the development of certain types of cancer including those of the upper aerodigestive tract, the liver, the large intestine and the female breast. Multiple mechanisms are involved in alcohol-mediated carcinogenesis. Among those the action of acetaldehyde (AA), the first metabolite of ethanol oxidation is of particular interest. AA is toxic, mutagenic and carcinogenic in animal experiments. AA binds to DNA and forms carcinogenic adducts. Direct evidence of the role of AA in alcohol-associated carcinogenesis derived from genetic linkage studies in alcoholics. Polymorphisms or mutations of genes coding for AA generation or detoxifying enzymes resulting in elevated AA concentrations are associated with increased cancer risk. Approximately 40% of Japanese, Koreans or Chinese carry the AA dehydrogenase 2*2 (ALDH2*2) allele in its heterozygous form. This allele codes for an ALDH2 enzyme with little activity leading to high AA concentrations after the consumption of even small amounts of alcohol. When individuals with this allele consume ethanol chronically, a significant increased risk for upper alimentary tract and colorectal cancer is noted. In Caucasians, alcohol dehydrogenase 1C*1 (ADH1C*1) allele encodes for an ADH isoenzyme which produces 2.5 times more AA than the corresponding allele ADH1C*2. In studies with moderate to high alcohol intake, ADH1C*1 allele frequency and rate of homozygosity was found to be significantly associated with an increased risk for cancer of the upper aerodigestive tract, the liver, the colon and the female breast. These studies underline the important role of acetaldehyde in ethanol-mediated carcinogenesis. PMID:19847467

  13. Methanol Steam Reforming for Hydrogen Production

    SciTech Connect

    Palo, Daniel R.; Dagle, Robert A.; Holladay, Jamie D.

    2007-09-11

    Review article covering developments in methanol steam reforming in the context of PEM fuel cell power systems. Subjects covered include methanol background, use, and production, comparison to other fuels, power system considerations, militrary requirements, competing technologies, catalyst development, and reactor and system development and demonstration.

  14. Antidote review: fomepizole for methanol poisoning.

    PubMed

    Mycyk, Mark B; Leikin, Jerrold B

    2003-01-01

    Fomepizole (Antizol) was recently approved by the US Food and Drug Administration for treatment of methanol poisoning. By inhibiting the hepatic enzyme alcohol dehydrogenase, it presents formation of toxic metabolites with far fewer consequences than traditional ethanol therapy. It appears that fomepizole will become standard therapy for methanol intoxication as it is for ethylene glycol poisoning.

  15. Developmental and Reproductive Toxicology of Methanol

    EPA Science Inventory

    Methanol is a high production volume chemical used as a feedstock for chemical syntheses and as a solvent and fuel additive. Methanol is acutely toxic to humans, causing acidosis, blindness in death at high dosages, but its developmental and reproductive toxicity in humans is poo...

  16. Development of an LC-MS/MS method for studying migration characteristics of acetaldehyde in polyethylene terephthalate (PET)-packed mineral water.

    PubMed

    Baumjohann, Nina; Harms, Diedrich

    2015-01-01

    During storage, acetaldehyde migration from polyethylene terephthalate (PET) bottles can affect the quality of mineral water even in the low µg l(-1) range negatively, as it features a fruity or plastic-like off-flavour. For a sensitive and fast analysis of acetaldehyde in mineral water, a new analysis method of 2,4-dinitrophenylhydrazine (DNPH) derivatisation followed by HPLC-electrospray tandem mass spectrometry (ESI-MS/MS) was developed. Acetaldehyde was directly derivatised in the mineral water sample avoiding extraction and/or pre-concentration steps and then analysed by reversed-phase HPLC-ESI-MS/MS using multiple reaction monitoring mode (MRM). Along with method development, the optimum molar excess of DNPH in contrast to acetaldehyde was studied for the mineral water matrix, because no specific and robust data were yet available for this critical parameter. Best results were obtained by using a calibration via the derivatisation reaction. Without any analyte enrichment or extraction, an LOD of 0.5 µg l(-1) and an LOQ of 1.9 µg l(-1) were achieved. Using the developed method, mineral water samples packed in PET bottles from Germany were analysed and the correlation between the acetaldehyde concentration and other characteristics of the samples was evaluated illustrating the applicability of the method. Besides a relationship between bottle size and CO2 content of the mineral water and acetaldehyde migration, a correlation with acetaldehyde migration and the material composition of the bottle, e.g. recycled PET, was noted. Investigating the light influence on the acetaldehyde migration with a newly developed, reproducible light exposure setup, a significant increase of the acetaldehyde concentration in carbonated mineral water samples was observed.

  17. 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).

    PubMed

    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.

  18. Capacity additions ease tight methanol supply

    SciTech Connect

    Greek, B.F. )

    1988-10-03

    Two menthanol plants now in operation - one in the U.S., the other in Chile - will boost global supplies of methanol more than 375 million gal annually. This large capacity addition and smaller expansions in other parts of the world will exceed demand growth during 1988 and 1989, easing the squeeze on supplies. As the result of increased supplies, methanol prices could slip slightly in the fourth quarter. They are more likely to decline next year, however. The two plants, which started up in August, are owned and operated by Tenneco Oil Co. Processing and Marketing and by Cape Horn Methanol (CHM). The Tenneco plant, located in Pasadena, Tex., was restarted after a shutdown in 1982 when prices for methanol were low. It now is running at full capacity of 125 million gal per year. The plant uses the low-pressure process technology of Lurgi, reportedly requiring for feedstock and energy between 100,000 and 125,000 cu ft of methane per gallon. Global trade in methanol smooths out the supply and demand inconsistencies. Surging methanol demand in the U.S. and in Western Europe has been met by imports from areas where methanol production is most economical - that is, where natural gas is readily available and has no other application as high in value. Canada, Chile, and Trinidad are examples of those areas.

  19. Engineering Escherichia coli for methanol conversion.

    PubMed

    Müller, Jonas E N; Meyer, Fabian; Litsanov, Boris; Kiefer, Patrick; Potthoff, Eva; Heux, Stéphanie; Quax, Wim J; Wendisch, Volker F; Brautaset, Trygve; Portais, Jean-Charles; Vorholt, Julia A

    2015-03-01

    Methylotrophic bacteria utilize methanol and other reduced one-carbon compounds as their sole source of carbon and energy. For this purpose, these bacteria evolved a number of specialized enzymes and pathways. Here, we used a synthetic biology approach to select and introduce a set of "methylotrophy genes" into Escherichia coli based on in silico considerations and flux balance analysis to enable methanol dissimilation and assimilation. We determined that the most promising approach allowing the utilization of methanol was the implementation of NAD-dependent methanol dehydrogenase and the establishment of the ribulose monophosphate cycle by expressing the genes for hexulose-6-phosphate synthase (Hps) and 6-phospho-3-hexuloisomerase (Phi). To test for the best-performing enzymes in the heterologous host, a number of enzyme candidates from different donor organisms were selected and systematically analyzed for their in vitro and in vivo activities in E. coli. Among these, Mdh2, Hps and Phi originating from Bacillus methanolicus were found to be the most effective. Labeling experiments using (13)C methanol with E. coli producing these enzymes showed up to 40% incorporation of methanol into central metabolites. The presence of the endogenous glutathione-dependent formaldehyde oxidation pathway of E. coli did not adversely affect the methanol conversion rate. Taken together, the results of this study represent a major advancement towards establishing synthetic methylotrophs by gene transfer.

  20. Selective photocatalytic reduction of CO2 to methanol in CuO-loaded NaTaO3 nanocubes in isopropanol

    PubMed Central

    Xiang, Tianyu; Chen, Jingshuai; Wang, Yuwen; Yin, Xiaohong; Shao, Xiao

    2016-01-01

    Summary A series of NaTaO3 photocatalysts were prepared with Ta2O5 and NaOH via a hydrothermal method. CuO was loaded onto the surface of NaTaO3 as a cocatalyst by successive impregnation and calcination. The obtained photocatalysts were characterized by XRD, SEM, UV–vis, EDS and XPS and used to photocatalytically reduce CO2 in isopropanol. This worked to both absorb CO2 and as a sacrificial reagent to harvest CO2 and donate electrons. Methanol and acetone were generated as the reduction product of CO2 and the oxidation product of isopropanol, respectively. NaTaO3 nanocubes loaded with 2 wt % CuO and synthesized in 2 mol/L NaOH solution showed the best activity. The methanol and acetone yields were 137.48 μmol/(g·h) and 335.93 μmol/(g·h), respectively, after 6 h of irradiation. Such high activity could be attributed to the good crystallinity, morphology and proper amount of CuO loading, which functioned as reductive sites for selective formation of methanol. The reaction mechanism was also proposed and explained by band theory. PMID:27335766

  1. Isobutanol-methanol mixtures from synthesis gas. Quarterly technical progress report, October 1, 1996--December 30, 1996

    SciTech Connect

    1997-03-01

    A series of MgO-based Cu catalysts have been prepared by coprecipitating the corresponding metal nitrates with a mixed solution of potassium carbonate and potassium hydroxide. The bulk composition of the catalyst has been measured by atomic absorption (AA) analysis and the Cu dispersion has been determined by N{sub 2}O titration at 363 K. Kinetic studies of ethanol coupling reactions on Cu{sub 0.5}Mg{sub 5}CeO{sub x} and 1.0 wt % K-Cu{sub 0.5}Mg{sub 5}CeO{sub x} catalyst indicates that at similar steady-state acetaldehyde concentrations, the presence of K increases the rates of base-catalyzed aldol coupling reactions to acetone and butyraldehyde. Aldol coupling chain growth reaction rates on 1.2 wt % K-Cu{sub 7.5}Mg{sub 5}CeO{sub x} are higher than on 1.0 wt % K-Cu{sub 0.5}Mg{sub 5}CeO{sub x} even though basic site densities are similar on both samples, suggesting that Cu metal sites are also involved in rate-determining steps required for condensation reactions. Cu appears to enhance the desorption of H{sub 2} via the migration of H species from basic to Cu sites and makes the basic sites available for subsequent C-H bond activation steps. Addition of CO{sub 2} decreases the rate of base-catalyzed chain growth reaction to acetone, but does not affect the rate of ethanol dehydrogenation reaction on Cu metal sites

  2. Detection of Acetone Processing of Castor Bean Mash for Forensic Investigation of Ricin Preparation Methods

    SciTech Connect

    Kreuzer-Martin, Helen W.; Wahl, Jon H.; Metoyer, Candace N.; Colburn, Heather A.; Wahl, Karen L.

    2010-07-01

    The toxic protein ricin is of concern as a potential biological threat agent (BTA) Recently, several samples of ricin have been seized in connection with biocriminal activity. Analytical methods are needed that enable federal investigators to determine how the samples were prepared, to match seized samples to potential source materials, and to identify samples that may have been prepared by the same method using the same source materials. One commonly described crude ricin preparation method is acetone extraction of crushed castor beans. Here we describe the use of solid-phase microextraction and headspace analysis of crude ricin preparation samples to determine whether they were processed by acetone extraction. In all cases, acetone-extracted bean mash could be distinguished from un-extracted mash or mash extracted with other organic solvents. Statistical analysis showed that storage in closed containers for up to 109 days had no effect on acetone signal intensity. Signal intensity in acetone-extracted mash decreased during storage in open containers, but extracted mash could still be distinguished from un-extracted mash after 94 days.

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

    PubMed

    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.

  4. Field Demonstration of Acetone Pretreatment and Composting of Particulate-TNT-Contaminated Soil

    SciTech Connect

    Radtke, Corey William; Smith, D.; Owen, S.; Roberto, Francisco Figueroa

    2002-02-01

    Solid fragments of explosives in soil are common in explosives testing and training areas. In this study we initially sieved the upper 6 in of contaminated soil through a 3-mm mesh, and found 2, 4, 6-trinitrotoluene (TNT) fragments. These contributed to an estimated concentration of 1.7 kg per cubic yard soil, or for 2000 ppm TNT in the soil. Most of the fragments ranged 4 mm to 10 mm diameter in size, but explosives particles weighing up to 56 g (about 4 cm diameter) were frequently observed. An acetone pretreatment/composting system was then demonstrated at field scale. The amount of acetone required for a TNT-dissolving slurry process was controlled by the viscosity of the soil/acetone mix rather than the TNT dissolution rate. The amount needed was estimated at about 55 gallons acetone per cubic yard soil. Smaller, 5- to 10-mm-diameter fragments went into solution in less than 15 min at a mixer speed of 36 rpm, with a minimum of 2 g TNT going into solution per 30 min for the larger chunks. The slurries were than mixed with compost starting materials and composted in a vented 1 yd3 container. After 34 days incubation time TNT was below the site-specific regulatory threshold of 44 ppm. TNT metabolites and acetone were also below their regulatory thresholds established for the site.

  5. Vibrational Excitation of Both Products of the Reaction of CN Radicals with Acetone in Solution

    PubMed Central

    2015-01-01

    Transient electronic and vibrational absorption spectroscopy unravel the mechanisms and dynamics of bimolecular reactions of CN radicals with acetone in deuterated chloroform solutions. The CN radicals are produced by ultrafast ultraviolet photolysis of dissolved ICN. Two reactive forms of CN radicals are distinguished by their electronic absorption bands: “free” (uncomplexed) CN radicals, and “solvated” CN radicals that are complexed with solvent molecules. The lifetimes of the free CN radicals are limited to a few picoseconds following their photolytic production because of geminate recombination to ICN and INC, complexation with CDCl3 molecules, and reaction with acetone. The acetone reaction occurs with a rate coefficient of (8.0 ± 0.5) × 1010 M–1 s–1 and transient vibrational spectra in the C=N and C=O stretching regions reveal that both the nascent HCN and 2-oxopropyl (CH3C(O)CH2) radical products are vibrationally excited. The rate coefficient for the reaction of solvated CN with acetone is 40 times slower than for free CN, with a rate coefficient of (2.0 ± 0.9) × 109 M–1 s–1 obtained from the rise in the HCN product v1(C=N stretch) IR absorption band. Evidence is also presented for CN complexes with acetone that are more strongly bound than the CN–CDCl3 complexes because of CN interactions with the carbonyl group. The rates of reactions of these more strongly associated radicals are slower still. PMID:26192334

  6. Exploration of detection sensitivity of biomarker acetone in aqueous samples using cavity ringdown spectroscopy

    NASA Astrophysics Data System (ADS)

    Mbi, Armstrong; Wang, Chuji

    2007-03-01

    Breath acetone is a biomarker for diabetes (Type 1). Currently, high sensitivity breath gas analysis is mainly performed by gas chromatography-mass spectrometry (GC-MC). We are developing a potable ringdown spectrometer for diabetes diagnostics using non-invasive breath gas analysis. The ringdown spectrometer consists of a compact Nd: YAG laser source operating at 266 nm, a atmospheric gas cell of 43 cm in length, a miniature detector, and a data processing section. In this work, the exploration of detection sensitivity of acetone in aqueous samples using cavity ringdown spectroscopy is presented. Pure acetone is diluted in distilled water in different concentrations ranging from 0.5 drop/liter to 8 drops/liter, or 730 ppbv - 12 ppmv in gas phase. The instrument performance using two sampling methods is evaluated. With the mirror reflectivity of 99.98%, the spectrometer demonstrates a detection limit of acetone of 450 ppbv (based on 1-σ), which is slightly lower than the threshold number of acetone concentration in normal human breath. Preliminary results from actual breath gases are also presented.

  7. Recovery and reuse of spent acetone via a mobile solvent recovery unit

    SciTech Connect

    Townsend, M.W.

    1996-11-01

    The Monsanto Chemical Company operates a plastics and resins plant located in Addyston, Ohio. The process equipment requires routine rinsing with technical grade acetone between batches. Due to the volumes of spent acetone generated and the associated RCRA hazardous waste regulations, the plant sought to recycle and reuse the acetone to reduce the purchase cost of virgin acetone and the cost of spent acetone disposal. One of the first options explored was package unit distillation units. The cost of these units was in the $20--$30,000 range in 1989 dollars. Even though the cost of a package unit was not deemed unreasonable, there were additional costs and concerns that led to elimination of this option. The unit would have required additional manpower to operate and maintain, i.e., at least a fraction of an operator and mechanic. For plant safety reasons, it was desired to operate this package unit outside the production building, thus construction of an outbuilding would have added to the expense of the project. Additionally, there were concerns of package unit reliability. During this evaluation, tractor-trailer mounted distillation units were discovered. The portable units were equipped with either thin-film evaporator technology capable of processing 240 to 480 gallons per hour, or pot still (batch) distillation technology capable of rates from 120 to 240 gallons per hour. Both units were constructed of stainless steel.

  8. Photochemical degradation of citrate buffers leads to covalent acetonation of recombinant protein therapeutics

    PubMed Central

    Valliere-Douglass, John F; Connell-Crowley, Lisa; Jensen, Randy; Schnier, Paul D; Trilisky, Egor; Leith, Matt; Follstad, Brian D; Kerr, Jennifer; Lewis, Nathan; Vunnum, Suresh; Treuheit, Michael J; Balland, Alain; Wallace, Alison

    2010-01-01

    Novel acetone and aldimine covalent adducts were identified on the N-termini and lysine side chains of recombinant monoclonal antibodies. Photochemical degradation of citrate buffers, in the presence of trace levels of iron, is demonstrated as the source of these modifications. The link between degradation of citrate and the observed protein modifications was conclusively established by tracking the citrate decomposition products and protein adducts resulting from photochemical degradation of isotope labeled 13C citrate by mass spectrometry. The structure of the acetone modification was determined by nuclear magnetic resonance (NMR) spectroscopy on modified–free glycine and found to correspond to acetone linked to the N-terminus of the amino acid through a methyl carbon. Results from mass spectrometric fragmentation of glycine modified with an acetone adduct derived from 13C labeled citrate indicated that the three central carbons of citrate are incorporated onto protein amines in the presence of iron and light. While citrate is known to stoichiometrically decompose to acetone and CO2 through various intermediates in photochemical systems, it has never been shown to be a causative agent in protein carbonylation. Our results point to a previously unknown source for the generation of reactive carbonyl species. This work also highlights the potential deleterious impact of trace metals on recombinant protein therapeutics formulated in citrate buffers. PMID:20836085

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

    PubMed

    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.

  10. Using acetone as solvent to study removal of anthracene in soil inhibits microbial activity and alters nitrogen dynamics.

    PubMed

    Núñez, Edgar Vázquez; Rodríguez, Viviana; Gaytán, Alejandro García; Luna-Guido, Marco; Betancur-Galvis, Liliana A; Marsch, Rodolfo; Dendooven, Luc

    2009-08-01

    Acetone is often used as a carrier to contaminate soil with polycyclic aromatic hydrocarbons (PAHs) and then to study the factors that control their removal. Acetone is an organic solvent that might affect soil processes. An alkaline saline (Texcoco soil) and an agricultural soil (Acolman soil) were amended with or without acetone, nitrogen + phosphorus (NP), and contaminated with anthracene at 520 mg/kg soil while emissions of CO2 and N2O and concentrations of NH4+, NO2(-) and NO3(-) were monitored. The CO2 emission rate decreased greater than 10 times in the soils amended with acetone. Emission of N2O decreased 70 times in the Acolman soil amended with acetone and NP and 5 times in the Texcoco soil. The concentration of NH4+ decreased in the unamended Acolman and Texcoco soil but increased when acetone was added in the first and remained constant in the latter. Acetone inhibited the increase in the amount of NO3(-) in the Acolman soil but not in the Texcoco soil. It was found that microbial activity as evidenced by the emission of CO2, nitrification, and production of N2O were inhibited by acetone. The amount of acetone used as solvent should thus be kept to a minimum, but it can be assumed that its effect on soil processes will be temporary, as microorganisms are known to repopulate soil quickly.

  11. Designing and creating a modularized synthetic pathway in cyanobacterium Synechocystis enables production of acetone from carbon dioxide.

    PubMed

    Zhou, Jie; Zhang, Haifeng; Zhang, Yanping; Li, Yin; Ma, Yanhe

    2012-07-01

    Ketones are a class of important organic compounds. As the simplest ketone, acetone is widely used as solvents or precursors for industrial chemicals. Presently, million tonnes of acetone is produced worldwide annually, from petrochemical processes. Here we report a biotechnological process that can produce acetone from CO(2), by designing and creating a modularized synthetic pathway in engineered cyanobacterium Synechocystis sp. PCC 6803. The engineered Synechocystis cells are able to produce acetone (36.0 mgl(-1) culture medium) using CO(2) as the sole carbon source, thus opens the gateway for biosynthesis of ketones from CO(2).

  12. Increased blood concentration of isopropanol in ketotic dairy cows and isopropanol production from acetone in the rumen.

    PubMed

    Sato, Hiroshi

    2009-08-01

    To evaluate acetone and isopropanol metabolism in bovine ketosis, the blood concentrations of isopropanol, acetone, plasma 3-hydroxybutyrate (3-HB) and other metabolites were analyzed in 12 healthy controls and 15 ketotic dairy cows including fatty liver and inferior prognosis after laparotomy for displaced abomasum. In ruminal fluid taken from 6 ketotic cows, ruminal isopropanol and acetone were also analyzed. Ketotic cows showed higher concentrations of isopropanol, acetone, 3-HB and nonesterified fatty acid, and higher activities of aspartate transaminase and gamma-glutamyl transferase than control cows. Blood samples had higher concentration of isopropanol accompanied by increased acetone. In the ketotic cows, acetone was detected not only in blood but also in ruminal fluid, while higher ruminal isopropanol did not necessarily accompany its elevation in the blood. Using 2 steers with rumen cannula, all ruminal content was emptied and then substituted with artificial saliva to evaluate the importance of ruminal microbes in isopropanol production. Under each condition of intact and emptied rumen, acetone was infused into the rumen and blood isopropanol was analyzed. The elevation in the blood isopropanol concentration after acetone infusion was markedly inhibited by the emptying. Here, increased blood concentrations of isopropanol and acetone were observed in ketotic cows, and the importance of ruminal microbes in isopropanol production was confirmed.

  13. Alcohol and acetaldehyde in African fermented milk mursik – A possible etiological factor for high incidence of esophageal cancer in western Kenya

    PubMed Central

    Nieminen, Mikko T.; Novak-Frazer, Lily; Collins, Rebecca; Dawsey, Sonja P.; Dawsey, Sanford M.; Abnet, Christian C.; White, Russell E.; Freedman, Neal D.; Mwachiro, Michael; Bowyer, Paul; Salaspuro, Mikko; Rautemaa, Riina

    2012-01-01

    Background Esophageal cancer is unusually frequent in western Kenya, despite the low prevalence of classical risk factors such as heavy drinking and tobacco smoking. Among Kenyans consumption of fermented milk is an old tradition. Our hypothesis is that alcohol and acetaldehyde are produced during the fermentation process and that their carcinogenic potential contributes to the high incidence of esophageal cancer. Methods Eight samples of mursik milk starter cultures were collected from different Kalenjin families in the Rift Valley province, Western Kenya. A protocol provided by the families was used for milk fermentation. Ethanol and acetaldehyde levels were measured by gas chromatography. The microbial flora in starter cultures was identified by 16S and 18S sequencing. Results 7/8 starter cultures produced mutagenic (>100 µM) levels of acetaldehyde and 4/8 starter cultures produced >1000 µM of acetaldehyde. The highest alcohol levels (mean 79.4 mM) were detected in the four fermented milks with highest acetaldehyde production. The mean number of microbial species in the starter cultures was 5 (range 2–8). Yeasts were identified in all starter cultures (mean 1.5 species/milk) but their proportion of the total microbial count varied markedly (mean 35%, range 7–90%). A combination of yeast and lactobacilli, especially Candida krusei with Lactobacillus kefiriwith the exclusion of other species, seemed to correlate with higher acetaldehyde and ethanol levels. Conclusions Significant levels of ethanol and acetaldehyde were produced during mursik fermentation. Impact When ingested several times daily the repeated exposure to carcinogenic levels of acetaldehyde may contribute to esophageal carcinogenesis. PMID:23155139

  14. On apparent quantized transition-state thresholds in the photofragmentation of acetaldehyde

    SciTech Connect

    King, Rollin A.; Allen, Wesley D.; Schaefer, Henry F. III

    2000-04-01

    Recent photofragmentation experiments have observed stepwise increases in the dissociation rate for CH{sub 3}CHO (T{sub 1}){yields}CH{sub 3} (X(tilde sign) {sup 2}A{sub 2}{sup ''})+HCO (X(tilde sign) {sup 2}A{sup '}) as a function of excitation energy. In accord with the Rice-Ramsperger-Kassel-Marcus (RRKM) form of transition-state theory, these steps were interpreted as corresponding to vibrational levels of the fragmentation transition state on the triplet surface. We have investigated this acetaldehyde dissociation using coupled cluster (CC) and density functional (DFT) methods with [C,O/H] atomic-orbital basis sets ranging in quality from [4s2p1d/2s1p] to [6s5p4d3f2g1h/5s4p3d2 f1g]. A high-level focal point analysis, along with harmonic force field computations, results in predictions of the dissociation energy, D{sub 0}=1583 cm{sup -1}, and the association barrier height, V{sub 0}{sup *}=3149 cm{sup -1}. With a basis set of triple-{zeta} plus double-polarization plus f(TZ2Pf ) quality, the DFT method UB3LYP and the CC method RCCSD predict barrier frequencies of 355i cm{sup -1} and 516i cm{sup -1}, respectively, while the empirical value inferred from RRKM models is only 60i cm{sup -1}. The RRKM-derived frequencies for the degrees of freedom orthogonal to the reaction path are more reasonable but still not in convincing agreement with electronic structure theory. Thus, while the experimental steps in the dissociation rate of acetaldehyde (as well as ketene) have yet to be satisfactorily explained, proven ab initio methods provide strong evidence that simple RRKM fits to the k(E) profile provide misleading vibrational frequencies of the transition state on the corresponding triplet potential energy surface. (c) 2000 American Institute of Physics.

  15. Acetone Sensing Properties of a Gas Sensor Composed of Carbon Nanotubes Doped With Iron Oxide Nanopowder

    PubMed Central

    Tan, Qiulin; Fang, Jiahua; Liu, Wenyi; Xiong, Jijun; Zhang, Wendong

    2015-01-01

    Iron oxide (Fe2O3) nanopowder was prepared by a precipitation method and then mixed with different proportions of carbon nanotubes. The composite materials were characterized by X-ray powder diffraction, Fourier transform infrared spectroscopy and scanning electron microscopy. A fabricated heater-type gas sensor was compared with a pure Fe2O3 gas sensor under the influence of acetone. The effects of the amount of doping, the sintering temperature, and the operating temperature on the response of the sensor and the response recovery time were analyzed. Experiments show that doping of carbon nanotubes with iron oxide effectively improves the response of the resulting gas sensors to acetone gas. It also reduces the operating temperature and shortens the response recovery time of the sensor. The response of the sensor in an acetone gas concentration of 80 ppm was enhanced, with good repeatability. PMID:26569253

  16. Composition measurement of bicomponent droplets using laser-induced fluorescence of acetone

    NASA Astrophysics Data System (ADS)

    Maqua, C.; Depredurand, V.; Castanet, G.; Wolff, M.; Lemoine, F.

    2007-12-01

    Commercial fuels are complex mixtures, the evaporation of which remains particularly difficult to model. Experimental characterization of the differential vaporization of the components is a problem that is seldom addressed. In this paper, the evaporation of binary droplets made of ethyl-alcohol and acetone is investigated using a technique of measurement of the droplet composition developed in purpose. This technique exploits the laser induced fluorescence of acetone which acts as a fluorescent tracer as well as the more volatile component of the fuel associated with an accurate measurement of the droplet diameter by forward scattering interferometry. A model of the fluorescence intensity of the binary mixture, taking into account the absorption of the acetone molecules, is proposed and validated. The sensitivity of the technique is discussed. Finally, the reliability of the technique is demonstrated on binary combusting droplets in linear stream.

  17. Thiamine pyrophosphate stimulates acetone activation by Desulfococcus biacutus as monitored by a fluorogenic ATP analogue.

    PubMed

    Gutiérrez Acosta, Olga B; Hardt, Norman; Hacker, Stephan M; Strittmatter, Tobias; Schink, Bernhard; Marx, Andreas

    2014-06-20

    Acetone can be degraded by aerobic and anaerobic microorganisms. Studies with the strictly anaerobic sulfate-reducing bacterium Desulfococcus biacutus indicate that acetone degradation by these bacteria starts with an ATP-dependent carbonylation reaction leading to acetoacetaldehyde as the first reaction product. The reaction represents the second example of a carbonylation reaction in the biochemistry of strictly anaerobic bacteria, but the exact mechanism and dependence on cofactors are still unclear. Here, we use a novel fluorogenic ATP analogue to investigate its mechanism. We find that thiamine pyrophosphate is a cofactor of this ATP-dependent reaction. The products of ATP cleavage are AMP and pyrophosphate, providing first insights into the reaction mechanism by indicating that the reaction proceeds without intermediate formation of acetone enol phosphate.

  18. Flow-injection determination of acetone with diazotized anthranilic acid through a fluorescent reaction intermediate.

    PubMed

    García de María, C; Hueso Domínguez, K B; Martín Garrido, N

    2007-09-26

    Acetone and diazotized anthranilic acid react in alkaline solution, giving a fluorescent intermediate that can be measured at excitation and emission wavelengths of 305 and 395 nm, respectively. Based on this, a fluorimetric flow-injection method is proposed for the determination of acetone in aqueous solution. Under the proposed conditions, acetone can be detected at concentrations higher than 8 x 10(-7)M, with a linear application range from 1 x 10(-6) to 2 x 10(-4)M and an R.S.D. of 2.7% (1.0 x 10(-5)M, n=10). A sampling frequency of 24h(-1) is achieved. Some potentially interfering species are investigated.

  19. Acetone gas sensing mechanism on zinc oxide surfaces: A first principles calculation

    NASA Astrophysics Data System (ADS)

    Sadeghian Lemraski, M.; Nadimi, E.

    2017-03-01

    Semiconducting metal oxide gas sensors have attracted growing interest as a result of their outstanding performance in the bio and industrial applications. Nevertheless, the sensing mechanism is yet not totally understood. In this study, we extensively investigate the adsorption mechanism of acetone molecule on ZnO-based thin film sensors by performing ab initio density functional theory calculations and employing quantum molecular dynamic simulations. Since the sensitivity of a metal oxide sensor is exceedingly depends on molecular oxygen exposure and operating temperature, we explore the competitive adsorption of acetone and oxygen molecule on the most stable orientation of ZnO surface (10 1 ̅ 0) at different temperatures. Results indicate that at elevated temperatures acetone gains required thermal energy to remove preadsorbed oxygen molecule from the surface in a competitive process. We will show that this competition is responsible for the resistive switching behavior in the ZnO-based gas sensors.

  20. High-sensitivity detection of triacetone triperoxide (TATP) and its precursor acetone

    NASA Astrophysics Data System (ADS)

    Dunayevskiy, Ilya; Tsekoun, Alexei; Prasanna, Manu; Go, Rowel; Patel, C. Kumar N.

    2007-09-01

    Triacetone triperoxide (C9H18O6, molecular mass of 222.24 g/mol) (TATP) is a powerful explosive that is easy to synthesize using commonly available household chemicals, acetone, and hydrogen peroxide 1 2. Because of the simplicity of its synthesis, TATP is often the explosive of choice for terrorists, including suicide bombers. For providing safety to the population, early detection of TATP and isolation of such individuals are essential. We report unambiguous, high-sensitivity detection of TATP and its precursor, acetone, using room-temperature quantum cascade laser photoacoustic spectroscopy (QCL-PAS). The available sensitivity is such that TATP, carried on a person (at a nominal body temperature of 37 °C), should be detectable at some distance. The combination of demonstrated detection of TATP and acetone should be ideal for screening at airports and other public places for providing increased public safety.

  1. Methanol: A Versatile Fuel for Immediate Use

    ERIC Educational Resources Information Center

    Reed, T. B.; Lerner, R. M.

    1973-01-01

    Advocates the large-scale production and use of methanol as a substitute for the diminishing reserves of low-cost petroleum resources. Describes the manufacturing process and advantages of the versatile fuel. (JR)

  2. Homogeneous catalyst formulations for methanol production

    DOEpatents

    Mahajan, Devinder; Sapienza, Richard S.; Slegeir, William A.; O'Hare, Thomas E.

    1990-01-01

    There is disclosed synthesis of CH.sub.3 OH from carbon monoxide and hydrogen using an extremely active homogeneous catalyst for methanol synthesis directly from synthesis gas. The catalyst operates preferably between 100.degree.-150.degree. C. and preferably at 100-150 psia synthesis gas to produce methanol. Use can be made of syngas mixtures which contain considerable quantities of other gases, such as nitrogen, methane or excess hydrogen. The catalyst is composed of two components: (a) a transition metal carbonyl complex and (b) an alkoxide component. In the simplest formulation, component (a) is a complex of nickel tetracarbonyl and component (b) is methoxide (CH.sub.3 O.sup.13 ), both being dissolved in a methanol solvent system. The presence of a co-solvent such as p-dioxane, THF, polyalcohols, ethers, hydrocarbons, and crown ethers accelerates the methanol synthesis reaction.

  3. Homogeneous catalyst formulations for methanol production

    DOEpatents

    Mahajan, Devinder; Sapienza, Richard S.; Slegeir, William A.; O'Hare, Thomas E.

    1991-02-12

    There is disclosed synthesis of CH.sub.3 OH from carbon monoxide and hydrogen using an extremely active homogeneous catalyst for methanol synthesis directly from synthesis gas. The catalyst operates preferably between 100.degree.-150.degree. C. and preferably at 100-150 psia synthesis gas to produce methanol. Use can be made of syngas mixtures which contain considerable quantities of other gases, such as nitrogen, methane or excess hydrogen. The catalyst is composed of two components: (a) a transition metal carbonyl complex and (b) an alkoxide component. In the simplest formulation, component (a) is a complex of nickel tetracarbonyl and component (b) is methoxide (CH.sub.3 O.sup.-), both being dissolved in a methanol solvent system. The presence of a co-solvent such as p-dioxane, THF, polyalcohols, ethers, hydrocarbons, and crown ethers accelerates the methanol synthesis reaction.

  4. BHP may scale up methanol production

    SciTech Connect

    Alperowicz, N.

    1993-06-23

    Broken Hill Pty. (BHP: Melbourne) says otherwise uneconomic gas reserves in the Timor Sea off northwest Australia could be developed if the company`s plans to commercialize a novel gas-to-methanol technology prove to be viable. BHP is building an A$70-million ($50 million) research unit in Victoria using ICI`s Leading Concept Methanol gas-to-methanol process. If this unit proves viable, it could be put on a vessel and taken to Timor Sea where BHP has oil exploration and production interests. Timor gas is not economically viable because of lack of nearby markets. The 54,000-m.t./year research plant, located at Werrbee near Melbourne, is scheduled to start production in the second half of 1994, according to BHP manager Joe Evon. The plant is being built by Davy/John Brown. Provided the economic climate is right, BHP is expected to build a world-scale methanol plant offshore.

  5. Advances in direct oxidation methanol fuel cells

    NASA Technical Reports Server (NTRS)

    Surampudi, S.; Narayanan, S. R.; Vamos, E.; Frank, H.; Halpert, G.; Laconti, Anthony B.; Kosek, J.; Prakash, G. K. Surya; Olah, G. A.

    1993-01-01

    Fuel cells that can operate directly on fuels such as methanol are attractive for low to medium power applications in view of their low weight and volume relative to other power sources. A liquid feed direct methanol fuel cell has been developed based on a proton exchange membrane electrolyte and Pt/Ru and Pt catalyzed fuel and air/O2 electrodes, respectively. The cell has been shown to deliver significant power outputs at temperatures of 60 to 90 C. The cell voltage is near 0.5 V at 300 mA/cm(exp 2) current density and an operating temperature of 90 C. A deterrent to performance appears to be methanol crossover through the membrane to the oxygen electrode. Further improvements in performance appear possible by minimizing the methanol crossover rate.

  6. Methanol in the sky with diamonds

    NASA Technical Reports Server (NTRS)

    Allamandola, L. J.; Sandford, S. A.; Tielens, A. G. G. M.; Herbst, T.

    1991-01-01

    The present of gas phase methanol in dense interstellar molecular clouds was established by radio detection of its rotational emission lines. However, the position, width, and profile of a absorption band near 1470 cm(exp -1) in the IR spectra of many dense molecular clouds strongly suggests that solid methanol is an important component of interstellar ices. In an attempt to better constrain the identification of 1470 cm(exp -1) feature, we began a program to search for other characteristic absorption bands of solid state methanol in the spectra of objects known to produce this band. One such feature is now identified in the spectra of several dense molecular clouds and its position, width, and profile fit well with those of laboratory H2O:CH3OH ices. Thus, the presence of methanol-bearing ices in space is confirmed.

  7. Flame front imaging in an internal-combustion engine simulator by laser-induced fluorescence of acetaldehyde.

    PubMed

    Arnold, A; Becker, H; Suntz, R; Monkhouse, P; Wolfrum, J; Maly, R; Pfister, W

    1990-08-01

    Acetaldehyde has been used as a fluorescent dopant for two-dimensional imaging of the flame front in an internalcombustion-engine simulator. The molecule was excited with a XeCl-laser-light sheet at 308 nm, and broadband fluorescence centered at 400 nm was detected. In this way, the flame front could be marked by mapping regions of unburned gas. Also, the intake process into the engine could be followed.

  8. Boryl substitution of acetaldehyde makes it an enol: inconsistency between Gn/CBS and ab initio/DFT data.

    PubMed

    Balabin, Roman M

    2010-03-18

    Tautomerism, a particular case of isomerism, plays an important role in modern organic chemistry, biochemistry, medicinal chemistry, pharmacology, and molecular biology. Inconsistency between results of complex energy computation methods Gn/CBS (G2, G3, CBS-4M, and CBS-QB3) and high-level ab initio/DFT ones (CCSD(T)/CBS, MP2/CBS, and B3LYP/aug-cc-pVTZ) is found. Gn/CBS methods provide a qualitatively different description of tautomeric (keto-enol) equilibrium in 2-substituted acetaldehydes. According to valence focal point analysis (FPA) based on CCSD(T)/aug-cc-pVTZ, MP3/aug-cc-pVQZ, and MP2/aug-cc-pV5Z energies, boryl substitution of acetaldehyde makes it an enol. In other words, enol was found to be the global minimum on the potential energy surface (PES) of C(2)H(5)BO. Gn/CBS methods predict the keto form to be the minimum. The relative energy of alkenol, CH(BH(2))=CH(OH), is calculated to be -1.67 +/- 0.82 kcal mol(-1) at CCSD(T)/CBS level of theory. Hydrogen shift effects are also calculated in two other 2-substituted acetaldehydes, namely, 3-oxopropanenitrile (C(3)H(3)NO) and ethanal (C(2)H(4)O), with a general formula of XH(2)C-CHO (X = BH(2), CN, and H). Electron density (charge) transfer between the C=C double bond and the free p orbital of the boron atom (B) in a boryl group (BH(2)) greatly stabilizes enol with respect to ketone, CH(2)(BH(2))-CHO. The first known stabilization of enol in an acetaldehyde derivative, without an intramolecular hydrogen bond (H-bond), questions the accuracy of complex energy computation methods for boron-containing molecules. The possible reasons and consequences of this finding are discussed.

  9. Mechanisms of site-specific photochemistry following core-shell ionization of chemically inequivalent carbon atoms in acetaldehyde (ethanal)

    NASA Astrophysics Data System (ADS)

    Zagorodskikh, Sergey; Eland, John H. D.; Zhaunerchyk, Vitali; Mucke, Melanie; Squibb, Richard J.; Linusson, Per; Feifel, Raimund

    2016-09-01

    Site-specific fragmentation upon 1s photoionisation of acetaldehyde has been studied using synchrotron radiation and a multi-electron-ion coincidence technique based on a magnetic bottle. Experimental evidence is presented that bond rupture occurs with highest probability in the vicinity of the initial charge localisation and possible mechanisms are discussed. We find that a significant contribution to site-specific photochemistry is made by different fragmentation patterns of individual quantum states populated at identical ionisation energies.

  10. Mechanisms of site-specific photochemistry following core-shell ionization of chemically inequivalent carbon atoms in acetaldehyde (ethanal).

    PubMed

    Zagorodskikh, Sergey; Eland, John H D; Zhaunerchyk, Vitali; Mucke, Melanie; Squibb, Richard J; Linusson, Per; Feifel, Raimund

    2016-09-28

    Site-specific fragmentation upon 1s photoionisation of acetaldehyde has been studied using synchrotron radiation and a multi-electron-ion coincidence technique based on a magnetic bottle. Experimental evidence is presented that bond rupture occurs with highest probability in the vicinity of the initial charge localisation and possible mechanisms are discussed. We find that a significant contribution to site-specific photochemistry is made by different fragmentation patterns of individual quantum states populated at identical ionisation energies.

  11. Pharmacological recruitment of aldehyde dehydrogenase 3A1 (ALDH3A1) to assist ALDH2 in acetaldehyde and ethanol metabolism in vivo

    PubMed Central

    Chen, Che-Hong; Cruz, Leslie A.; Mochly-Rosen, Daria

    2015-01-01

    Correcting a genetic mutation that leads to a loss of function has been a challenge. One such mutation is in aldehyde dehydrogenase 2 (ALDH2), denoted ALDH2*2. This mutation is present in ∼0.6 billion East Asians and results in accumulation of toxic acetaldehyde after consumption of ethanol. To temporarily increase metabolism of acetaldehyde in vivo, we describe an approach in which a pharmacologic agent recruited another ALDH to metabolize acetaldehyde. We focused on ALDH3A1, which is enriched in the upper aerodigestive track, and identified Alda-89 as a small molecule that enables ALDH3A1 to metabolize acetaldehyde. When given together with the ALDH2-specific activator, Alda-1, Alda-89 reduced acetaldehyde-induced behavioral impairment by causing a rapid reduction in blood ethanol and acetaldehyde levels after acute ethanol intoxication in both wild-type and ALDH2-deficient, ALDH2*1/*2, heterozygotic knock-in mice. The use of a pharmacologic agent to recruit an enzyme to metabolize a substrate that it usually does not metabolize may represent a novel means to temporarily increase elimination of toxic agents in vivo. PMID:25713355

  12. Acetone reactions over the surfaces of polycrystalline UO2: a kinetic and spectroscopic study.

    PubMed

    King, Richard; Idriss, Hicham

    2009-04-21

    The reaction of acetone is studied on the surfaces of polycrystalline UO2, prepared by hydrogen reduction of U3O8 at 770 K. The study is conducted by in situ Fourier transform infrared (FTIR) and temperature-programmed desorption (TPD). Acetone adsorption does not fit the simple Langmuir model, and adsorbate-adsorbate interactions are found to be significant. Acetone adsorbs molecularly on UO2 as evidenced by the nuCO of the eta1(O) mode at 1686 cm(-1). Part of acetone is reduced to the isopropoxide species ((CH3)2HC-O-U4+) upon heating (nu(CC), rho(CH3) at 1167 cm(-1) and nu(CO), rho(CH3) at 980 cm(-1)), and upon further heating, acetates (CH3COO(a), (a) for adsorbed) are observed. Detailed TPD studies indicated that the main reaction of acetone on UO2 is the deoxygenation to propene, driven by the oxophilic nature of UO2. Other reactions were also observed to a lesser extent, and these included reductive coupling to 2,3-dimethylbutene and condensation to mesityl oxide. An attempt to extract kinetic parameters from TPD data was conducted. Three models were studied: variation of heating rate, leading edge analysis (Habenschaden-Kuppers method), and complete analysis. The complete analysis provided the most plausible results, in particular, at low coverage. With this method, at nearly zero coverage the activation energy, Ed, for desorption was found to be close to 140 kJ/mol with a prefactor of 10(13) s(-1). Ed dropped sharply with increasing coverage, theta, to ca. 35 kJ/mol at theta=0.15 with a prefactor of 10(11) s(-1). The activation energy for the desorption of acetone on UO2(111) single crystals, at saturation coverage, was previously found to be equal to 65 kJ/mol using the leading edge analysis.

  13. Assessment of the cancer potential of methanol.

    PubMed

    Cruzan, George

    2009-01-01

    There are no published cancer studies of methanol-exposed cohorts. Genotoxicity studies do not suggest carcinogenic activity from methanol exposure. Oncogenicity studies of methanol were conducted by inhalation for approximately 20 hrs/day at up to 1000 ppm in F344 rats and B6C3F1 mice (NEDO), and by incorporation into drinking water at up to 20,000 ppm in Sprague-Dawley rats (Ramazzini Foundation, by Soffritti et al.). No increased neoplasms were found in the NEDO rat and mouse inhalation studies, even at air levels (up to 1000 ppm for >19 hours/day, 7 days/week) that caused 10-fold increased blood methanol levels. The maximum dose level was 600 mg/kg/day. The breakdown of methanol to formaldehyde in rats is saturated at doses above 600 mg/kg according to Horton et al. Thus, higher inhalation exposure concentrations are not expected to lead to tumors in rats or mice. In the Soffritti et al. study there was excessive early mortality, and lung pathology (inflammation, dysplasia, or neoplasm) was present in 87-94% of those dying anytime in the study. Soffritti et al. reported lympho-immunoblastic lymphoma. There are no historical control data to which this study can be compared because this diagnosis is not used by any other pathologist in animal studies. Lung infections probably played a role in formation of the lesions called lympho-immunoblastic lymphoma in the Ramazzini methanol study. The data from genotoxicity studies, the inhalation and drinking water oncogenicity studies of methanol in rats and mice, and mode of action considerations support a conclusion that methanol is not likely to be carcinogenic in humans.

  14. Evaluating acetaldehyde synthesis from L-/sup 14/C(U)) threonine by Streptococcus thermophilus and Lactobacillus bulgaricus

    SciTech Connect

    Wilkins, D.W.; Schmidt, R.H.; Shireman, R.B.; Smith, K.L.; Jezeski, J.J.

    1986-05-01

    To evaluate the synthesis of acetaldehyde from threonine during growth of yogurt cultures, Streptococcus thermophilus MS1 and Lactobacillus bulgaricus MR1 were grown in defined medium in which 10% of the total threonine was composed of L-(carbon-14(U))threonine. Acetaldehyde production was monitored by formation of 2,4-dinitrophenylhydrazone followed by separation and analysis using high performance liquid chromatography. After growth for 8 h at 42/sup 0/C, approximately 2.0% of the total acetaldehyde (780.4 nmol) produced was from L-(carbon-14)threonine. Threonine aldolase activity was determined in cell-free extracts from S. thermophilus and L. bulgaricus grown in Elliker broth. Increasing incubation temperature from 30 to 42/sup 0/C decreased threonine aldolase activity in cells of the streptococcus harvested after 8 h of incubation. Effect of incubation temperature was more dramatic in cells harvested after 18 h where the activity of cells grown at 48/sup 0/C was 89% lower than that of cells grown at 30/sup 0/C. Cell extracts from S. thermophilus MS1 possessed higher threonine aldolase activity than did those from L. bulgaricus MR1. Increased assay temperature from 30 to 42/sup 0/C increased threonine aldolase activity in S. thermophilus MS1.

  15. A replaceable dual-enzyme capillary microreactor using magnetic beads and its application for simultaneous detection of acetaldehyde and pyruvate.

    PubMed

    Shi, Jing; Zhao, Wenwen; Chen, Yuanfang; Guo, Liping; Yang, Li

    2012-07-01

    A novel replaceable dual-enzyme capillary microreactor was developed and evaluated using magnetic fields to immobilize the alcohol dehydrogenase (ADH)- and lactate dehydrogenase (LDH)-coated magnetic beads at desired positions in the capillary. The dual-enzyme assay was achieved by measuring the two consumption peaks of the coenzyme β-nicotinamide adenine dinucleotide (NADH), which were related to the ADH reaction and LDH reaction. The dual-enzyme capillary microreactor was constructed using magnetic beads without any modification of the inner surface of the capillary, and showed great stability and reproducibility. The electrophoretic resolution for different analytes can be easily controlled by altering the relative distance of different enzyme-coated magnetic beads. The apparent K(m) values for acetaldehyde with ADH-catalyzed reaction and for pyruvate with LDH-catalyzed reaction were determined. The detection limits for acetaldehyde and pyruvate determination are 0.01 and 0.016 mM (S/N = 3), respectively. The proposed method was successfully applied to simultaneously determine the acetaldehyde and pyruvate contents in beer samples. The results indicated that combing magnetic beads with CE is of great value to perform replaceable and controllable multienzyme capillary microreactor for investigation of a series of enzyme reactions and determination of multisubstrates.

  16. The effect of SO2 on the production of ethanol, acetaldehyde, organic acids, and flavor volatiles during industrial cider fermentation.

    PubMed

    Herrero, Mónica; García, Luis A; Díaz, Mario

    2003-05-21

    SO(2) is widely used in cider fermentation but also in other alcoholic beverages such as wine. Although the authorized limit is 200 ppm total SO(2), the International Organizations recommend its total elimination or at least reduction due to health concerns. Addition of SO(2) to apple juice at levels frequently used in industrial cidermaking (100 mg/L) induced significantly higher acetaldehyde production by yeast than that obtained without SO(2). Although the practical implications of acetaldehyde evolution under cidermaking conditions has been overcome by research and few data are available, this compound reached levels in two 2000 L bioreactors that may have prevented the occurrence of simultaneous alcoholic and malolactic fermentation. It was observed that malolactic fermentation had a positive effect promoting reduction of acetaldehyde levels in cider fermented with juice, SO(2)-treated or not. The addition of SO(2) clearly delayed malolactic fermentation comparing to the control, affecting not the onset of the malolactic fermentation but the rate of malic acid degradation. This compound, however, had a stimulatory effect on alcoholic fermentation.

  17. Effects of ethanol and acetaldehyde load on erythrocyte deformability in healthy subjects and patients with liver cirrhosis.

    PubMed

    Shiraishi, Koichi; Tsuruya, Kota; Anzai, Kazuya; Arase, Yoshitaka; Hirose, Shunji; Kagawa, Tatehiro; Mine, Tetsuya; Matsuzaki, Shohei

    2015-02-01

    Alcohol intake leads to the distribution of alcohol and its metabolite, acetaldehyde throughout the blood and organs. Hepatic cirrhosis is associated with abnormal red blood cell morphology and function, particularly impaired red blood cell deformability. To investigate the effect of drinking on red blood cells in patients with hepatic cirrhosis, erythrocyte deformability was evaluated in response to alcohol and acetaldehyde tolerance. Erythrocyte deformability in 10 healthy and 15 cirrhotic subjects was examined by filterability of the red blood cells. Erythrocyte deformability decreased markedly in the cirrhosis group compared with the healthy group (p < 0.05). No significant change in erythrocyte deformability was observed in healthy or cirrhotic subjects due to ethanol 100 mM tolerance. Acetaldehyde tolerance elicited a significant decrease in erythrocyte deformability at 2 mM in the cirrhosis group (p < 0.05). Alcohol consumption in cirrhotic patients was suggested to worsen erythrocyte deformability and red blood cell function. Decreased erythrocyte deformability worsens microcirculation in the liver, resulting in more severe hepatic dysfunction.

  18. Acetaldehyde targets superoxide dismutase 2 in liver cancer cells inducing transient enzyme impairment and a rapid transcriptional recovery.

    PubMed

    Clavijo-Cornejo, Denise; Gutiérrez-Carrera, Mario; Palestino-Domínguez, Mayrel; Dominguez-Perez, Mayra; Nuño, Natalia; Souza, Veronica; Miranda, Roxana U; Kershenobich, David; Gutiérrez-Ruiz, Ma Concepción; Bucio, Leticia; Gómez-Quiroz, Luis E

    2014-07-01

    Alcohol is undoubtedly, the main toxic agent that people consume by recreation and the abuse is associated with liver damage, mainly by the overproduction of reactive oxygen species and the toxic effects of its first metabolite acetaldehyde. It is known that acetaldehyde targets mitochondria inducing redox imbalance and oxidative stress. Mitochondrial superoxide dismutase transforms superoxide radical into hydrogen peroxide, which in addition, is transformed in water by other enzymes. In the present study we demonstrate that acetaldehyde transiently impairs SOD2 activity in HepG2 cells, the decrease in the enzyme activity was associated to a reduction in the protein content, which was rapidly recovered, to basal values, by synthesis de novo in a mechanism mediated by NF-κB and PKC. The SOD2 impairment was not associated with adduct formation. The recovery on SOD2 activity in HepG2 cells can represent survival advantage for cancer cells, the results shown that SOD2 could be considered a therapeutic target in liver cancer.

  19. Ethanol formation in adh0 mutants reveals the existence of a novel acetaldehyde-reducing activity in Saccharomyces cerevisiae.

    PubMed Central

    Drewke, C; Thielen, J; Ciriacy, M

    1990-01-01

    A strain of Saccharomyces cerevisiae has been constructed which is deficient in the four alcohol dehydrogenase (ADH) isozymes known at present. This strain (adh0), being irreversibly mutated in the genes ADH1, ADH3, and ADH4 and carrying a point mutation in the gene ADH2 coding for the glucose-repressible isozyme ADHII, still produces up to one third of the theoretical maximum yield of ethanol in a homofermentative conversion of glucose to ethanol. Analysis of the glucose metabolism of adh0 cells shows that the lack of all known ADH isozymes results in the formation of glycerol as a major fermentation product, accompanied by a significant production of acetaldehyde and acetate. Treatment of glucose-growing adh0 cells with the respiratory-chain inhibitor antimycin A leads to an immediate cessation of ethanol production, demonstrating that ethanol production in adh0 cells is dependent on mitochondrial electron transport. Reduction of acetaldehyde to ethanol in isolated mitochondria could also be demonstrated. This reduction is apparently linked to the oxidation of acetaldehyde to acetate. Preliminary data suggest that this novel type of ethanol formation in S. cerevisiae is associated with the inner mitochondrial membrane. Images PMID:2193925

  20. Methanol-tolerant cathode catalyst composite for direct methanol fuel cells

    DOEpatents

    Zhu, Yimin; Zelenay, Piotr

    2006-09-05

    A direct methanol fuel cell (DMFC) having a methanol fuel supply, oxidant supply, and its membrane electrode assembly (MEA) formed of an anode electrode and a cathode electrode with a membrane therebetween, a methanol oxidation catalyst adjacent the anode electrode and the membrane, an oxidant reduction catalyst adjacent the cathode electrode and the membrane, comprises an oxidant reduction catalyst layer of Pt.sub.3Cr/C so that oxidation at the cathode of methanol that crosses from the anode through the membrane to the cathode is reduced with a concomitant increase of net electrical potential at the cathode electrode.

  1. Methanol-Tolerant Cathode Catalyst Composite For Direct Methanol Fuel Cells

    DOEpatents

    Zhu, Yimin; Zelenay, Piotr

    2006-03-21

    A direct methanol fuel cell (DMFC) having a methanol fuel supply, oxidant supply, and its membrane electrode assembly (MEA) formed of an anode electrode and a cathode electrode with a membrane therebetween, a methanol oxidation catalyst adjacent the anode electrode and the membrane, an oxidant reduction catalyst adjacent the cathode electrode and the membrane, comprises an oxidant reduction catalyst layer of a platinum-chromium alloy so that oxidation at the cathode of methanol that crosses from the anode through the membrane to the cathode is reduced with a concomitant increase of net electrical potential at the cathode electrode.

  2. Vacuum-Ultraviolet (VUV) Photoionization of Small Methanol and Methanol-Water Clusters

    SciTech Connect

    Kostko, Oleg; Belau, Leonid; Wilson, Kevin R.; Ahmed, Musahid

    2008-04-24

    In this work, we report on the vacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters. Clusters of methanol with water are generated via co-expansion of the gas phase constituents in a continuous supersonic jet expansion of methanol and water seeded in Ar. The resulting clusters are investigated by single photon ionization with tunable vacuum-ultraviolet synchrotron radiation and mass analyzed using reflectron mass spectrometry. Protonated methanol clusters of the form (CH3OH)nH+(n = 1-12) dominate the mass spectrum below the ionization energy of the methanol monomer. With an increase in water concentration, small amounts of mixed clusters of the form (CH3OH n(H2O)H+ (n = 2-11) are detected. The only unprotonated species observed in this work are the methanol monomer and dimer. Appearance energies are obtained from the photoionization efficiency (PIE) curves for CH3OH+, (CH3OH)2+, (CH3OH)nH+ (n = 1-9), and (CH3OH)n(H2O)H+ (n = 2-9) as a function of photon energy. With an increasein the water content in the molecular beam, there is an enhancement of photoionization intensity for the methanol dimer and protonated methanol monomer at threshold. These results are compared and contrasted to previous experimental observations.

  3. Vacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters

    SciTech Connect

    Ahmed, Musahid; Ahmed, Musahid; Wilson, Kevin R.; Belau, Leonid; Kostko, Oleg

    2008-05-12

    In this work we report on thevacuum-ultraviolet (VUV) photoionization of small methanol and methanol-water clusters. Clusters of methanol with water are generated via co-expansion of the gas phase constituents in a continuous supersonic jet expansion of methanol and water seeded in Ar. The resulting clusters are investigated by single photon ionization with tunable vacuumultraviolet synchrotron radiation and mass analyzed using reflectron mass spectrometry. Protonated methanol clusters of the form (CH3OH)nH + (n=1-12) dominate the mass spectrum below the ionization energy of the methanol monomer. With an increase in water concentration, small amounts of mixed clusters of the form (CH3OH)n(H2O)H + (n=2-11) are detected. The only unprotonated species observed in this work are the methanol monomer and dimer. Appearance energies are obtained from the photoionization efficiency (PIE) curves for CH3OH +, (CH 3OH)2 +, (CH3OH)nH + (n=1-9), and (CH 3OH)n(H2O)H + (n=2-9 ) as a function of photon energy. With an increase in the water content in the molecular beam, there is an enhancement of photoionization intensity for methanol dimer and protonated methanol monomer at threshold. These results are compared and contrasted to previous experimental observations.

  4. Transesterification of waste vegetable oil under pulse sonication using ethanol, methanol and ethanol–methanol mixtures

    SciTech Connect

    Martinez-Guerra, Edith; Gude, Veera Gnaneswar

    2014-12-15

    Highlights: • Pulse sonication effect on transesterification of waste vegetable oil was studied. • Effects of ethanol, methanol, and alcohol mixtures on FAMEs yield were evaluated. • Effect of ultrasonic intensity, power density, and its output rates were evaluated. • Alcohol mixtures resulted in higher biodiesel yields due to better solubility. - Abstract: This study reports on the effects of direct pulse sonication and the type of alcohol (methanol and ethanol) on the transesterification reaction of waste vegetable oil without any external heating or mechanical mixing. Biodiesel yields and optimum process conditions for the transesterification reaction involving ethanol, methanol, and ethanol–methanol mixtures were evaluated. The effects of ultrasonic power densities (by varying sample volumes), power output rates (in W), and ultrasonic intensities (by varying the reactor size) were studied for transesterification reaction with ethanol, methanol and ethanol–methanol (50%-50%) mixtures. The optimum process conditions for ethanol or methanol based transesterification reaction of waste vegetable oil were determined as: 9:1 alcohol to oil ratio, 1% wt. catalyst amount, 1–2 min reaction time at a power output rate between 75 and 150 W. It was shown that the transesterification reactions using ethanol–methanol mixtures resulted in biodiesel yields as high as >99% at lower power density and ultrasound intensity when compared to ethanol or methanol based transesterification reactions.

  5. Integrated anode structure for passive direct methanol fuel cells with neat methanol operation

    NASA Astrophysics Data System (ADS)

    Wu, Huijuan; Zhang, Haifeng; Chen, Peng; Guo, Jing; Yuan, Ting; Zheng, Junwei; Yang, Hui

    2014-02-01

    A microporous titanium plate based integrated anode structure (Ti-IAS) suitable for passive direct methanol fuel cells (DMFCs) fueled with neat methanol is reported. This anode structure incorporates a porous titanium plate as a methanol mass transfer barrier and current collector, pervaporation film for passively vaporizing methanol, vaporous methanol cavity for evenly distributing fuel, and channels for carbon dioxide venting. With the effective control of methanol delivery rate, the Ti-IAS based DMFC allows the direct use of neat methanol as the fuel source. In the meantime, the required water for methanol-oxidation reaction at the anode can also be fully recovered from the cathode with the help of the highly hydrophobic microporous layer in the cathode. DMFCs incorporating this new anode structure exhibit a power density as high as 40 mW cm-2 and a high volumetric energy density of 489 Wh L-1 operating with neat methanol and at 25 °C. Importantly, no obvious performance degradation of the passive DMFC system is observed after more than 90 h of continuous operation. The experimental results reveal that the compact DMFC based on the Ti-IAS exhibits a substantial potential as power sources for portable applications.

  6. Microfluidic distillation chip for methanol concentration detection.

    PubMed

    Wang, Yao-Nan; Liu, Chan-Chiung; Yang, Ruey-Jen; Ju, Wei-Jhong; Fu, Lung-Ming

    2016-03-17

    An integrated microfluidic distillation system is proposed for separating a mixed ethanol-methanol-water solution into its constituent components. The microfluidic chip is fabricated using a CO2 laser system and comprises a serpentine channel, a boiling zone, a heating zone, and a cooled collection chamber filled with de-ionized (DI) water. In the proposed device, the ethanol-methanol-water solution is injected into the microfluidic chip and driven through the serpentine channel and into the collection chamber by means of a nitrogen carrier gas. Following the distillation process, the ethanol-methanol vapor flows into the collection chamber and condenses into the DI water. The resulting solution is removed from the collection tank and reacted with a mixed indicator. Finally, the methanol concentration is inversely derived from the absorbance measurements obtained using a spectrophotometer. The experimental results show the proposed microfluidic system achieves an average methanol distillation efficiency of 97%. The practicality of the proposed device is demonstrated by detecting the methanol concentrations of two commercial fruit wines. It is shown that the measured concentration values deviate by no more than 3% from those obtained using a conventional bench top system.

  7. Fractionation of Organosolv Lignin Using Acetone:Water and Properties of the Obtained Fractions

    SciTech Connect

    Sadeghifar, Hasan; Wells, Tyrone; Le, Rosemary Khuu; Sadeghifar, Fatemeh; Yuan, Joshua S.; Jonas Ragauskas, Arthur

    2016-11-07

    In this study, lignin fractions with different molecular weight were prepared using a simple and almost green method from switchgrass and pine organosolv lignin. Different proportions of acetone in water, ranging from 30 to 60%, were used for lignin fractionation. A higher concentration of acetone dissolved higher molecular weight fractions of the lignin. Fractionated organosolv lignin showed different molecular weight and functional groups. Higher molecular weight fractions exhibited more aliphatic and less phenolic OH than lower molecular weight fractions. Lower molecular weight fractions lead to more homogeneous structure compared to samples with a higher molecular weight. In conclusion, all fractions showed strong antioxidant activity.

  8. Fractionation of Organosolv Lignin Using Acetone:Water and Properties of the Obtained Fractions

    DOE PAGES

    Sadeghifar, Hasan; Wells, Tyrone; Le, Rosemary Khuu; ...

    2016-11-07

    In this study, lignin fractions with different molecular weight were prepared using a simple and almost green method from switchgrass and pine organosolv lignin. Different proportions of acetone in water, ranging from 30 to 60%, were used for lignin fractionation. A higher concentration of acetone dissolved higher molecular weight fractions of the lignin. Fractionated organosolv lignin showed different molecular weight and functional groups. Higher molecular weight fractions exhibited more aliphatic and less phenolic OH than lower molecular weight fractions. Lower molecular weight fractions lead to more homogeneous structure compared to samples with a higher molecular weight. In conclusion, all fractionsmore » showed strong antioxidant activity.« less

  9. Gum rosin-acetone system as an analogue to the degassing behaviour of hydrated magmas

    NASA Astrophysics Data System (ADS)

    Phillips, J. C.; Lane, S. J.; Lejeune, A.-M.; Hilton, M.

    1995-08-01

    Solutions of gum rosin and acetone reproduce the volatile- and temperature-dependent viscosity, together with the phase behaviour, of hydrated magmas. A range of experimental exsolution conditions was investigated, including the variation of supersaturation, rate of decompression, solution temperature and volatile content. Degassing processese were controlled by the formation of an exsolution interface above a supersaturated liquid. The end-products ranged from a mildly degassed liquid to a solid foam, which preserved strained vesicles. Solutions of gum rosin and acetone are proposed as a suitable analogue system with which to study magma degassing processes.

  10. Scaling relationships in photoelectron-photoion coincidence studies: The aceton ion dissociation

    NASA Astrophysics Data System (ADS)

    Johnson, Kieth; Powis, I.; Danby, C. J.

    1981-12-01

    The distributions of internal energy released into translation in the fragmentation of energy-selected acetone ions (as determined by photoelectron-photoion coincidence studies) are shown to obey a scaling law, as do the calculated distributions derived from a statistical-dynamical phase space theory. A single function contains the dynamical history of the reaction system, at least at higher energies, in contrast to the predictions of the rigid rotor harmonic oscillator model. The scaling law provides an analysis of the bimodal form of the translational energy distributions which are found for the dissociation of the enol form of the acetone ion. This is shown to be consistent with the ergodic hypothesis.

  11. Ion-paired extraction of cephalosporins in acetone prior to their analysis by capillary liquid chromatography in environmental water and meat samples.

    PubMed

    Quesada-Molina, Carolina; García-Campaña, Ana M; del Olmo-Iruela, Monsalud

    2013-10-15

    Ion-pair extraction of cephalosporins from aqueous solution into acetone by the addition of ammonium sulfate to a 1:2 (v/v) acetone-water solvent was carried out followed by their determination using reversed-phase capillary liquid chromatography. The analytes included are cephoperazone, cefquinome, cephalexin, cephapirin, cephaloniun, cephamandole, cephazolin and cephadroxile. In order to form the ion-pair, hexadecyltrimethylammonium bromide (CTAB) was selected as cationic ion-pairing agent at a concentration of 0.9 mM using 10mM phosphate buffer at pH 8 as the optimum condition for the aqueous solution. The applied methodology, named salting-out assisted liquid/liquid extraction (SALLE) involves the use of 1.25 g of ammonium sulfate as salting-out agent. The separation of cephalosporins using a Luna C18 (150 mm × 0.3mm, 5 µm, 100 Å) column was achieved under the following conditions: a gradient program combining solvent A (0.1% formic acid in water, pH 4) and solvent B (acetonitrile-methanol (50:50, v/v)), at a flow rate of 20 µl min(-1), column temperature 35°C and injection volume 7 µl with UV detection at 250 nm. The limits of quantification for the studied compounds were between 4.3 and 22.7 μg/L for water samples and 4.1 and 73.3 μg/kg in the case of beef samples, lower than the maximum residue limits permitted by the EU for this kind of food. The developed methodology has demonstrated its suitability for the analysis of these widely applied antibiotics in environmental water and meat samples, including beef and pork muscle, with high sensitivity, precision and satisfactory recoveries.

  12. Application of acetone acetals as water scavengers and derivatization agents prior to the gas chromatographic analysis of polar residual solvents in aqueous samples.

    PubMed

    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.

  13. Acetaldehyde reinforcement and motor reactivity in newborns with or without a prenatal history of alcohol exposure

    PubMed Central

    March, Samanta M.; Culleré, Marcela E.; Abate, Paula; Hernández, José I.; Spear, Norman E.; Molina, Juan C.

    2013-01-01

    Animal models have shown that early ontogeny seems to be a period of enhanced affinity to ethanol. Interestingly, the catalase system that transforms ethanol (EtOH) into acetaldehyde (ACD) in the brain, is more active in the perinatal rat compared to adults. ACD has been found to share EtOH's behavioral effects. The general purpose of the present study was to assess ACD motivational and motor effects in newborn rats as a function of prenatal exposure to EtOH. Experiment 1 evaluated if ACD (0.35 μmol) or EtOH (0.02 μmol) supported appetitive conditioning in newborn pups prenatally exposed to EtOH. Experiment 2 tested if prenatal alcohol exposure modulated neonatal susceptibility to ACD's motor effects (ACD dose: 0, 0.35 and 0.52 μmol). Experiment 1 showed that EtOH and ACD supported appetitive conditioning independently of prenatal treatments. In Experiment 2, latency to display motor activity was altered only in neonates prenatally treated with water and challenged with the highest ACD dose. Prenatal EtOH experience results in tolerance to ACD's motor activity effects. These results show early susceptibility to ACD's appetitive effects and attenuation of motor effects as a function of prenatal history with EtOH, within a stage in development where brain ACD production seems higher than later in life. PMID:23785319

  14. Acetaldehyde reinforcement and motor reactivity in newborns with or without a prenatal history of alcohol exposure.

    PubMed

    March, Samanta M; Culleré, Marcela E; Abate, Paula; Hernández, José I; Spear, Norman E; Molina, Juan C

    2013-01-01

    Animal models have shown that early ontogeny seems to be a period of enhanced affinity to ethanol. Interestingly, the catalase system that transforms ethanol (EtOH) into acetaldehyde (ACD) in the brain, is more active in the perinatal rat compared to adults. ACD has been found to share EtOH's behavioral effects. The general purpose of the present study was to assess ACD motivational and motor effects in newborn rats as a function of prenatal exposure to EtOH. Experiment 1 evaluated if ACD (0.35 μmol) or EtOH (0.02 μmol) supported appetitive conditioning in newborn pups prenatally exposed to EtOH. Experiment 2 tested if prenatal alcohol exposure modulated neonatal susceptibility to ACD's motor effects (ACD dose: 0, 0.35 and 0.52 μmol). Experiment 1 showed that EtOH and ACD supported appetitive conditioning independently of prenatal treatments. In Experiment 2, latency to display motor activity was altered only in neonates prenatally treated with water and challenged with the highest ACD dose. Prenatal EtOH experience results in tolerance to ACD's motor activity effects. These results show early susceptibility to ACD's appetitive effects and attenuation of motor effects as a function of prenatal history with EtOH, within a stage in development where brain ACD production seems higher than later in life.

  15. Unique Antibody Responses to Malondialdehyde-Acetaldehyde (MAA)-Protein Adducts Predict Coronary Artery Disease

    PubMed Central

    Anderson, Daniel R.; Duryee, Michael J.; Shurmur, Scott W.; Um, John Y.; Bussey, Walter D.; Hunter, Carlos D.; Garvin, Robert P.; Sayles, Harlan R.; Mikuls, Ted R.; Klassen, Lynell W.; Thiele, Geoffrey M.

    2014-01-01

    Malondialdehyde-acetaldehyde adducts (MAA) have been implicated in atherosclerosis. The purpose of this study was to investigate the role of MAA in atherosclerotic disease. Serum samples from controls (n = 82) and patients with; non-obstructive coronary artery disease (CAD), (n = 40), acute myocardial infarction (AMI) (n = 42), or coronary artery bypass graft (CABG) surgery due to obstructive multi-vessel CAD (n = 72), were collected and tested for antibody isotypes to MAA-modifed human serum albumin (MAA-HSA). CAD patients had elevated relative levels of IgG and IgA anti-MAA, compared to control patients (p<0.001). AMI patients had a significantly increased relative levels of circulating IgG anti-MAA-HSA antibodies as compared to stable angina (p<0.03) or CABG patients (p<0.003). CABG patients had significantly increased relative levels of circulating IgA anti-MAA-HSA antibodies as compared to non-obstructive CAD (p<0.001) and AMI patients (p<0.001). Additionally, MAA-modified proteins were detected in the tissue of human AMI lesions. In conclusion, the IgM, IgG and IgA anti-MAA-HSA antibody isotypes are differentially and significantly associated with non-obstructive CAD, AMI, or obstructive multi-vessel CAD and may serve as biomarkers of atherosclerotic disease. PMID:25210746

  16. Acetaldehyde, Motivation and Stress: Behavioral Evidence of an Addictive ménage à trois

    PubMed Central

    Brancato, Anna; Lavanco, Gianluca; Cavallaro, Angela; Plescia, Fulvio; Cannizzaro, Carla

    2017-01-01

    Acetaldehyde (ACD) contributes to alcohol’s psychoactive effects through its own rewarding properties. Recent studies shed light on the behavioral correlates of ACD administration and the possible interactions with key neurotransmitters for motivation, reward and stress-related response, such as dopamine and endocannabinoids. This mini review article critically examines ACD psychoactive properties, focusing on behavioral investigations able to unveil ACD motivational effects and their pharmacological modulation in vivo. Similarly to alcohol, rats spontaneously drink ACD, whose presence is detected in the brain following chronic self-administration paradigm. ACD motivational properties are demonstrated by operant paradigms tailored to model several drug-related behaviors, such as induction and maintenance of operant self-administration, extinction, relapse and punishment resistance. ACD-related addictive-like behaviors are sensitive to pharmacological manipulations of dopamine and endocannabinoid signaling. Interestingly, the ACD-dopamine-endocannabinoids relationship also contributes to neuroplastic alterations of the NPYergic system, a stress-related peptide critically involved in alcohol abuse. The understanding of the ménage-a-trois among ACD, reward- and stress-related circuits holds promising potential for the development of novel pharmacological approaches aimed at reducing alcohol abuse. PMID:28232795

  17. Effect of fermented sea tangle on the alcohol dehydrogenase and acetaldehyde dehydrogenase in Saccharomyces cerevisiae.

    PubMed

    Cha, Jae-Young; Jeong, Jae-Jun; Yang, Hyun-Ju; Lee, Bae-Jin; Cho, Young-Su

    2011-08-01

    Sea tangle, a kind of brown seaweed, was fermented with Lactobacillus brevis BJ-20. The gamma-aminobutyric acid (GABA) content in fermented sea tangle (FST) was 5.56% (w/w) and GABA in total free amino acid of FST was 49.5%. The effect of FST on the enzyme activities and mRNA protein expression of alcohol dehydrogenase (ADH) and acetaldehyde dehydrogenase (ALDH) involved in alcohol metabolism in Saccharomyces cerevisiae was investigated. Yeast was cultured in YPD medium supplemented with different concentrations of FST powder [0, 0.4, 0.8, and 1.0% (w/v)] for 18 h. FST had no cytotoxic effect on the yeast growth. The highest activities and protein expressions of ADH and ALDH from the cell-free extracts of S. cerevisiae were evident with the 0.4% and 0.8% (w/v) FST-supplemented concentrations, respectively. The highest concentrations of GABA as well as minerals (Zn, Ca, and Mg) were found in the cell-free extracts of S. cerevisiae cultured in medium supplemented with 0.4% (w/v) FST. The levels of GABA, Zn, Ca, and Mg in S. cerevisiae were strongly correlated with the enzyme activities of ADH and ALDH in yeast. These results indicate that FST can enhance the enzyme activities and protein expression of ADH and ALDH in S. cerevisiae.

  18. Hypersensitivities for acetaldehyde and other agents among cancer cells null for clinically relevant Fanconi anemia genes.

    PubMed

    Ghosh, Soma; Sur, Surojit; Yerram, Sashidhar R; Rago, Carlo; Bhunia, Anil K; Hossain, M Zulfiquer; Paun, Bogdan C; Ren, Yunzhao R; Iacobuzio-Donahue, Christine A; Azad, Nilofer A; Kern, Scott E

    2014-01-01

    Large-magnitude numerical distinctions (>10-fold) among drug responses of genetically contrasting cancers were crucial for guiding the development of some targeted therapies. Similar strategies brought epidemiological clues and prevention goals for genetic diseases. Such numerical guides, however, were incomplete or low magnitude for Fanconi anemia pathway (FANC) gene mutations relevant to cancer in FANC-mutation carriers (heterozygotes). We generated a four-gene FANC-null cancer panel, including the engineering of new PALB2/FANCN-null cancer cells by homologous recombination. A characteristic matching of FANCC-null, FANCG-null, BRCA2/FANCD1-null, and PALB2/FANCN-null phenotypes was confirmed by uniform tumor regression on single-dose cross-linker therapy in mice and by shared chemical hypersensitivities to various inter-strand cross-linking agents and γ-radiation in vitro. Some compounds, however, had contrasting magnitudes of sensitivity; a strikingly high (19- to 22-fold) hypersensitivity was seen among PALB2-null and BRCA2-null cells for the ethanol metabolite, acetaldehyde, associated with widespread chromosomal breakage at a concentration not producing breaks in parental cells. Because FANC-defective cancer cells can share or differ in their chemical sensitivities, patterns of selective hypersensitivity hold implications for the evolutionary understanding of this pathway. Clinical decisions for cancer-relevant prevention and management of FANC-mutation carriers could be modified by expanded studies of high-magnitude sensitivities.

  19. Thz Spectroscopy of Acetaldehyde and Search of 13C Species in Orion

    NASA Astrophysics Data System (ADS)

    Margulès, L.; Motiyenko, R. A.; Ilyushin, V. V.; Tercero, B.; Cernicharo, J.; Guillemin, J.-C.

    2012-06-01

    Acetaldehyde (CH_3CHO) is one of the high priority complex organic molecules for the astrophysical community. There is a lack of data concerning the 13C species since the measurements are limited to 40 GHz up to date. This molecule displays a large amplitude motion: the hindered rotation of the methyl group with respect to the rest of the molecule. The analysis is performed with RAM36 code which used the Rho Axis Method. Last year we presented the analysis of the millimeterwave spectra of the 13CH_3CHO species. We extended the analysis to the THz range of the vibrational ground state for both species. We are also analyzing the first torsional state (≈140 cm-1) for two reasons: first, this permits to remove correlation between parameters. Second, this state contribute to the partition function even at ISM temperature (100--150 K) since there is an influence on the column density determined in case of detection. The searches of these isotopomers are in progress in ORION. This work was supported by the CNES and the Action sur Projets de l'INSU, PCMI. This work was also done under the ANR-08-BLAN-0054. Kilb, R.W.; Lin, C.C.; and Wilson, E.B. J. Chem. Phys. 26, (1957) 1695 Ilyushin, V.V. et al J. Mol. Spectrosc. 259, (2010) 26 Margules, L. et al. FA07, 66th International Symposium on Molecular Spectroscopy (2011)

  20. Immune response to acetaldehyde-human serum albumin adduct among healthy subjects related to alcohol intake.

    PubMed

    Romanazzi, Valeria; Schilirò, Tiziana; Carraro, Elisabetta; Gilli, Giorgio

    2013-09-01

    Acetaldehyde (AA) is the main metabolic product in ethanol metabolism, although it can also derive from sources of airborne pollution. As a typical aldehyde, AA is able to react with a variety of molecular targets, including DNA and protein. This property justifies the hypothesis of a immune reaction against this kind of adduct, to be studied by a seroprevalence screening approach. In this study, the correlation between drinking habits and the amount of circulating AA-human serum albumin adduct (AA-HSA) was evaluated in a group of healthy subjects, non alcohol-addicted. Daily ethanol intake (grams) was inferred for each subject using the information collected through a questionnaire, and AA-HSA antibodies (AA-HSA ab) analyses were performed using the Displacement Assay on whole blood samples. The findings showed a correlation between ethanol intake and immune response to molecular adduct. These results underscore the evaluation of AA-HSA ab amount as a suitable molecular marker for alcohol intake that can be applied in future investigations on a large scale for prevention screening.

  1. An experimental and theoretical study of core-valence double ionisation of acetaldehyde (ethanal).

    PubMed

    Zagorodskikh, S; Vapa, M; Vahtras, O; Zhaunerchyk, V; Mucke, M; Eland, J H D; Squibb, R J; Linusson, P; Jänkälä, K; Ågren, H; Feifel, R

    2016-01-28

    Core-valence double ionisation spectra of acetaldehyde (ethanal) are presented at photon energies above the carbon and oxygen 1s ionisation edges, measured by a versatile multi-electron coincidence spectroscopy technique. We use this molecule as a testbed for analyzing core-valence spectra by means of quantum chemical calculations of transition energies. These theoretical approaches range from two simple models, one based on orbital energies corrected by core valence interaction and one based on the equivalent core approximation, to a systematic series of quantum chemical electronic structure methods of increasing sophistication. The two simple models are found to provide a fast orbital interpretation of the spectra, in particular in the low energy parts, while the coverage of the full spectrum is best fulfilled by correlated models. CASPT2 is the most sophisticated model applied, but considering precision as well as computational costs, the single and double excitation configuration interaction model seems to provide the best option to analyze core-valence double hole spectra.

  2. Detecting ethanol and acetaldehyde by simple and ultrasensitive fluorimetric methods in compound foods.

    PubMed

    Zachut, M; Shapiro, F; Silanikove, N

    2016-06-15

    There is a need for simple, accurate, and rapid analysis of ethanol (Eth) and acetaldehyde (AA) in a wide variety of beverages and foods. A novel enzymatic assay coupled to formation of fluorescent chromophore is presented. Eth detection was further improved by adding semicarbazide to the reaction mixture, which interacts with AA and prevents its inhibitory effect on Eth oxidation. The limits of detection of Eth (0.5 mg/L) and AA (0.9 mg/L) are comparable with the performance of modern gas chromatography techniques. The repeatability of Eth and AA detection in various foods (9% on average) was lower than that with commercial kits (23%). The high sensitivity of the developed method enables detection of AA in common foods [e.g., bio-yogurt (12.2 mg/L), and the existence of endogenous Eth (1.8 mg/L) and AA (2.0 mg/L) in bacteria-free non-fermented bovine milk], which could not measured so far by enzymatic methods.

  3. Spectroscopic analysis, AIM, NLO and VCD investigations of acetaldehyde thiosemicarbazone using quantum mechanical simulations

    NASA Astrophysics Data System (ADS)

    Moorthy, N.; Prabakar, P. C. Jobe; Ramalingam, S.; Govindarajan, M.; Gnanamuthu, S. Joshua; Pandian, G. V.

    2016-08-01

    The prepared Acetaldehyde thiosemicarbazone (ATSC) have been investigated by both the experimental and theoretical methods; through this work, the essentiality of elucidation of molecular fragments source linear and non-linear optical properties was explored. The stability of the structure and entire calculations have been performed on HF and B3LYP methods with 6-311++G(d,p) level of basis set. The Mulliken charge profile, electronic, optical and hyper polarizability analyses have been carried out in order to evaluate nonlinear optical (NLO) performance of the present compound. The exact optical location of the ATSC was determined by executing UV-Visible calculations on TDSCF method. The existence of the molecular group for the inducement and tuning of NLO properties were thoroughly investigated by performing fundamental vibrational investigation. The optical energy transformation among frontier molecular levels has been described in UV-Visible region. The Gibbs energy coefficient of thermodynamic functions was monitored in different temperature and it was found constant irrespective of temperatures. The appearance of different chemical environment of H and C was monitored from the 1H and 13C NMR spectra. The vibrational optical polarization characteristics with respect to molecular composition in the compound have been studied by VCD spectrum. The bond critical point, Laplacian of electron density, electron kinetic energy density and total electron energy density have calculated and analysed using AIM study.

  4. Acetaldehyde, Motivation and Stress: Behavioral Evidence of an Addictive ménage à trois.

    PubMed

    Brancato, Anna; Lavanco, Gianluca; Cavallaro, Angela; Plescia, Fulvio; Cannizzaro, Carla

    2017-01-01

    Acetaldehyde (ACD) contributes to alcohol's psychoactive effects through its own rewarding properties. Recent studies shed light on the behavioral correlates of ACD administration and the possible interactions with key neurotransmitters for motivation, reward and stress-related response, such as dopamine and endocannabinoids. This mini review article critically examines ACD psychoactive properties, focusing on behavioral investigations able to unveil ACD motivational effects and their pharmacological modulation in vivo. Similarly to alcohol, rats spontaneously drink ACD, whose presence is detected in the brain following chronic self-administration paradigm. ACD motivational properties are demonstrated by operant paradigms tailored to model several drug-related behaviors, such as induction and maintenance of operant self-administration, extinction, relapse and punishment resistance. ACD-related addictive-like behaviors are sensitive to pharmacological manipulations of dopamine and endocannabinoid signaling. Interestingly, the ACD-dopamine-endocannabinoids relationship also contributes to neuroplastic alterations of the NPYergic system, a stress-related peptide critically involved in alcohol abuse. The understanding of the ménage-a-trois among ACD, reward- and stress-related circuits holds promising potential for the development of novel pharmacological approaches aimed at reducing alcohol abuse.

  5. Towards neat methanol operation of direct methanol fuel cells: a novel self-assembled proton exchange membrane.

    PubMed

    Li, Jing; Cai, Weiwei; Ma, Liying; Zhang, Yunfeng; Chen, Zhangxian; Cheng, Hansong

    2015-04-18

    We report here a novel proton exchange membrane with remarkably high methanol-permeation resistivity and excellent proton conductivity enabled by carefully designed self-assembled ionic conductive channels. A direct methanol fuel cell utilizing the membrane performs well with a 20 M methanol solution, very close to the concentration of neat methanol.

  6. Electro-oxidation of 2-propanol and acetone over platinum, platinum-ruthenium, and ruthenium nanoparticles in alkaline electrolytes

    NASA Astrophysics Data System (ADS)

    Markiewicz, Matthew E. P.; Bergens, Steven H.

    The voltammetric and chronoamperometric electro-oxidations of 2-propanol and acetone were carried out in base over Pt, Pt-Ru, and Ru nanoparticle electro-catalysts. A low-potential current maximum occurs during chronoamperometric electro-oxidations attributed to a reversible 2-propanol/acetone redox couple. The potential of this current maximum becomes more negative with increasing Ru content.

  7. 40 CFR 721.10238 - Formaldehyde, polymers with acetone-phenol reaction products and phenol, potassium sodium salts.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...-phenol reaction products and phenol, potassium sodium salts. 721.10238 Section 721.10238 Protection of..., polymers with acetone-phenol reaction products and phenol, potassium sodium salts. (a) Chemical substance..., polymers with acetone-phenol reaction products and phenol, potassium sodium salts (PMN P-09-147; CAS...

  8. 40 CFR 721.10238 - Formaldehyde, polymers with acetone-phenol reaction products and phenol, potassium sodium salts.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-phenol reaction products and phenol, potassium sodium salts. 721.10238 Section 721.10238 Protection of..., polymers with acetone-phenol reaction products and phenol, potassium sodium salts. (a) Chemical substance..., polymers with acetone-phenol reaction products and phenol, potassium sodium salts (PMN P-09-147; CAS...

  9. Effects of acetone and fasting on cytochrome P-450 and xenobiotic metabolism in intact and hypophysectomized rats

    SciTech Connect

    Williams, M.T.; Simonet, L.

    1987-05-01

    Hypophysectomized and intact male and female rats were fasted for 24-48 hrs or given acetone (5ml/kg body weight) in order to evaluate the effects of these treatments on hepatic microsomal cytochrome P-450 and xenobiotic metabolism. Fasting and acetone treatment resulted in a significant increase (p < 0.05) in total P-450 in intact female rats. However, there was no significant changes in P-450 in microsomes from fasted or acetone-treated hypophysectomized rats. Fasting and acetone treatment resulted in significant increases in nitrosamine metabolism in intact rats. This effect was markedly reduced in the hypophysectomized rat. When intact male rats were fasted or treated with acetone there was a significant increase in P-450 in microsomes from acetone treated rats. Aryl hydrocarbon hydroxylase activity was significantly increased in both intact and hypophysectomized male and female rats treated with acetone. These results suggest that the pituitary gland or some product markedly influences acetone-stimulated nitrosamine metabolism.

  10. Assessment of methanol electro-oxidation for direct methanol-air fuel cells

    SciTech Connect

    Fritts, S.D.; Sen, R.K.

    1988-07-01

    The Office of Energy Storage and Distribution of the US Department of Energy (DOE) supports the development of a methanol-air fuel cell for transportation application. The approach used at Los Alamos National Laboratory converts the methanol fuel to a hydrogen-rich gas in a reformer, then operates the fuel cell on hydrogen and air. The reformer tends to be bulky (raising vehicle packaging problems), has a long startup period, and is not well suited for the transient operation required in a vehicle. Methanol, however, can be oxidized electrochemically in the fuel cell. If this process can be conducted efficiently, a direct methanol-air fuel cell can be used, which does not require a reformer. The objective of this study is to assess the potential of developing a suitable catalyst for the direct electrochemical oxidation of methanol. The primary conclusion of this study is that no acceptable catalysts exist can efficiently oxidize methanol electrochemically and have the desired cost and lifetime for vehicle applications. However, recent progress in understanding the mechanism of methanol oxidation indicates that a predictive base can be developed to search for methanol oxidation catalysts and can be used to methodically develop improved catalysts. Such an approach is strongly recommended. The study also recommends that until further progress in developing high-performance catalysts is achieved, research in cell design and testing is not warranted. 43 refs., 12 figs., 1 tab.

  11. Transesterification of waste vegetable oil under pulse sonication using ethanol, methanol and ethanol-methanol mixtures.

    PubMed

    Martinez-Guerra, Edith; Gude, Veera Gnaneswar

    2014-12-01

    This study reports on the effects of direct pulse sonication and the type of alcohol (methanol and ethanol) on the transesterification reaction of waste vegetable oil without any external heating or mechanical mixing. Biodiesel yields and optimum process conditions for the transesterification reaction involving ethanol, methanol, and ethanol-methanol mixtures were evaluated. The effects of ultrasonic power densities (by varying sample volumes), power output rates (in W), and ultrasonic intensities (by varying the reactor size) were studied for transesterification reaction with ethanol, methanol and ethanol-methanol (50%-50%) mixtures. The optimum process conditions for ethanol or methanol based transesterification reaction of waste vegetable oil were determined as: 9:1 alcohol to oil ratio, 1% wt. catalyst amount, 1-2 min reaction time at a power output rate between 75 and 150 W. It was shown that the transesterification reactions using ethanol-methanol mixtures resulted in biodiesel yields as high as >99% at lower power density and ultrasound intensity when compared to ethanol or methanol based transesterification reactions.

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

    PubMed

    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.

  13. Ignition study of acetone/air mixtures by using laser-induced spark.

    PubMed

    Tihay, Virginie; Gillard, Philippe; Blanc, Denis

    2012-03-30

    The breakdown and the laser-induced spark ignition of acetone-air mixtures were experimentally studied using a nanosecond pulse at 1064 nm from a Q-switched Nd:YAG laser. The breakdown was first characterized for different mixtures with acetone and air. This part of the work highlighted the wide variation in the energy absorbed by the plasma during a breakdown. We also demonstrated that the presence of acetone in air tends to reduce the energy required to obtain a breakdown. Next, the ignition of acetone-air mixtures in the equivalence ratio range 0.9-2.4 was investigated. The probabilities of ignition were calculated in function to the laser energy. However, according to the variability of energy absorption by the plasma, we preferred to present the result according to the energy absorbed by the plasma. The minimum ignition energies were also provided. The minimum ignition energy was obtained for an equivalence ratio of 1.6 and an absorbed energy of 1.15 mJ. Finally the characteristics of the plasma (absorption coefficient and kernel temperature) were calculated for the experiments corresponding to minimum ignition energies.

  14. The recombination rate coefficient of a protonated acetone dimer with electrons: indication of a temperature dependence

    NASA Astrophysics Data System (ADS)

    Glosík, Juraj; Plasil, Radek

    2000-10-01

    The formation and recombination of a protonated acetone dimer with electrons was studied in the flowing afterglow. H3O+ ions were formed in the early post-discharge region. The subsequent addition of acetone leads to the formation of the protonated ions CH3COCH3H+. These ions further associate with acetone forming the cluster ions H+·(CH3COCH3)2 that react further with acetone, but very slowly. This facilitates the creation of an afterglow plasma with a dominant population of H+·(CH3COCH3)2. The evolution of electron number density (ne) and electron temperature (Te) is measured using the Langmuir probe. The recombination rate coefficients that are obtained indicate a negative temperature dependence: α = (3.4±1)×10-6 cm3 s-1 at Te = (580±150) K and α = (7±2.5)×10-6 cm3 s-1 at Te = (450±100) K.

  15. A DFT study of the role of water in the rhodium-catalyzed hydrogenation of acetone.

    PubMed

    Polo, Victor; Schrock, Richard R; Oro, Luis A

    2016-11-24

    The positive effect of the addition of water to acetone hydrogenation by [RhH2(PR3)2S2](+) catalysts has been studied by DFT calculations. The studied energetic profiles reveal that the more favourable mechanistic path involves a hydride migration to the ketone followed by a reductive elimination that is assisted by two water molecules.

  16. Photooxidation of Isopropanol and Acetone Using TiO(sub 2) Suspension and UV Light

    SciTech Connect

    El-Morsi, Taha; Nanny, Mark A.

    2004-03-31

    Small polar organic compounds such as alcohols, ketones and aldehydes are highly soluble and do not adsorb strongly to the TiO2 surface and, therefore, may be fairly resistant to photocatalytic degradation. Photodegradation of an aqueous solution of isopropanol and its resulting photodegradation product acetone was investigated as a function of TiO2 substrate concentrations and solution ionic strength and pH. In the presence of 2g/L TiO2, isopropanol completely disappeared within 3 hrs, resulting in the nearly complete transformation into acetone. Subsequent photodegradation of acetone occurred at a much slower rate and resulted in complete mineralization. Increasing the pH slightly decreased the photodegradation rate. Conversely, the degradation rate was enhanced slightly by increasing the ionic strength. The presence of tetranitromethane decreased the isopropanol degradation significantly. This result, combined with the minimal degree of adsorption of isopropanol and acetone onto the surface of the photocatalyst, suggests that the photodegradation pathway occurs via free OH radicals in bulk solution rather than on the catalyst surface.

  17. The post-mortem relationship between beta-hydroxybutyrate (BHB), acetone and ethanol in ketoacidosis.

    PubMed

    Elliott, Simon; Smith, Christopher; Cassidy, Diane

    2010-05-20

    A reduced blood pH (ketoacidosis) from the production of beta-oxidative ketone bodies as a result of alcoholism (alcoholic ketoacidosis, AKA) or diabetes (diabetic ketoacidosis, DKA) can feature in many fatalities and analytical evidence can be used to support a pathological diagnosis, or provide a possible cause of death in the absence of other pathologically significant findings. Existing beliefs concerning the relationship of BHB concentrations, acetone and ethanol have been re-examined by analysis of BHB, acetone and ethanol in over 350 fatalities grouped into alcoholics, diabetics, alcoholic diabetics, coupled with speculative cases and those with an alternative cause of death. Uniquely, the concentrations of BHB were measured in post-mortem blood, urine and vitreous humour using selective GC-MS. The results showed that existing beliefs need to be re-evaluated. Ethanol is not always low (<10mg/dL) or absent in cases of AKA. Also, the absence of acetone precludes [corrected] a high BHB (>250mg/L), therefore acetone can be used as an initial marker pathologically significant ketoacidosis. For blood and urine BHB concentrations the following interpretative ranges can be used (in mg/L); normal (<50mg/L), raised (51-249mg/L), high and pathologically significant (>250mg/L). Initial data suggest vitreous humour BHB could be a useful alternative in the absence of blood (same interpretative ranges may also apply). Analytical recommendation for investigation of post-mortem ketoacidosis is also presented.

  18. Chemical-specific adjustment factors for intraspecies variability of acetone toxicokinetics using a probabilistic approach.

    PubMed

    Mörk, Anna-Karin; Johanson, Gunnar

    2010-07-01

    Human health risk assessment has begun to depart from the traditional methods by replacement of the default assessment factors by more reasonable, data-driven, so-called chemical-specific adjustment factors (CSAFs). This study illustrates a scheme for deriving CSAFs in the general and occupationally exposed populations by quantifying the intraspecies toxicokinetic variability in surrogate dose using probabilistic methods. Acetone was used as a model substance. The CSAFs were derived by Monte Carlo simulation, combining a physiologically based pharmacokinetic model for acetone, probability distributions of the model parameters from a Bayesian analysis of male volunteer experimental data, and published distributions of physiological and anatomical parameters for females and children. The simulations covered how factors such as age, gender, endogenous acetone production, and fluctuations in workplace air concentration and workload influence peak and average acetone levels in blood, used as surrogate doses. According to the simulations, CSAFs of 2.1, 2.9, and 3.8 are sufficient to cover the differences in surrogate dose at the upper 90th, 95th, and 97.5th percentile, respectively, of the general population. However, higher factors were needed to cover the same percentiles of children. The corresponding CSAFs for the occupationally exposed population were 1.6, 1.8, and 1.9. The methodology presented herein allows for derivation of CSAFs not only for populations as a whole but also for subpopulations of interest. Moreover, various types of experimental data can readily be incorporated in the model.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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 ...

  20. Dynamics of S 1 acetone studied with single rotorvibronic level resolution

    NASA Astrophysics Data System (ADS)

    Bitto, H.

    1994-08-01

    The spectroscopy and dynamics of selected vibronic bands of the S 1(nπ *) ← S 0 transition of acetone and acetone- d6 were studied with single rotational-torsional-vibronic (rotorvibronic) level resolution in a jet up to an S 1 excess energy of 1300 cm -1. Using clean coherent excitation with Fourier transform-limited nanosecond laser pulses quantum beats were observed in the time-resolved fluorescence and were attributed to coherently excited siglet-triplet eigenstates as identified by their magnetic properties. In the 8 123 0- and the 8 1 23 0+I(2,1) state of acetone, and the 7 1I(1,0) state of aceton- d6, lifetimes increase with the rotational quantum number of the excited state N due to a breakdown of K selection rules for the spin-orbit interaction in this very asymmetric rotor. In the 8 123 0- state, the rotorvibronic levels of the methyl torsion tunnelling component with G symmetry exhibit the longest lifetimes among the tunnelling components. Vibrational coupling of G torsional levels in the triplet manifold favoured by symmetry is proposed to selectively increase the density of coupling triplet states and, hence, the lifetime of the eigenstates.