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Sample records for methyl ethyl cetone

  1. Incineration of oxygenated volatile organic compounds. Experimental study and kinetic modeling of the oxidation of methyl ethyl ketone, ethyl acetate and butan-2-ol in methane flames; Incineration de composes organiques volatils oxygenes. Etude experimentale et modelisation cinetique de l'oxydation de la methyl ethyl cetone, de l'acetate d'ethyle et du butan-2-ol dans des flammes de methane

    Energy Technology Data Exchange (ETDEWEB)

    Decottignies, V.

    2000-12-01

    This work deals with the low pressure (0.05 atm) degradation of three volatile organic compounds (VOCs): methyl-ethyl-ketone, ethyl acetate and butan-2-ol, in premixed stoichiometric laminar methane flames seeded with 1 to 3% of each VOC. Molar fraction profiles of species have been obtained using microprobe sampling coupled with a gas chromatography and a mass spectroscopy analysis. Temperature profiles have been obtained using the covered thermocouple technique in the presence of the microprobe. The addition of a VOC in the initial reagents mixture leads to an increase of the quantity of intermediate hydrocarbon compounds and in particular of some soot precursor species. The degradation of VOCs leads to the formation of oxygenated intermediates like methanol, dimethyl-ether, acetaldehyde, propanal, acetone and vinyl acetate, the type of VOC having an effect on the quantities produced. The degradation of a VOC can lead to the formation of more toxic or polluting compounds (methyl vinyl ketone, acetic acid and acrolein) than the VOC itself. In the conditions of the study, the intermediate compounds are totally destructed inside the reactional area of the flame front and are no more present in the burnt gases. Sub-mechanisms of VOC oxidation have been developed using experimental observations and the most recent recommendations of the literature. These sub-mechanisms comprise 49 species involved in 241 elementary reactions. Their validation has been performed by comparing the experiment with the kinetic modeling on the molar fraction profiles of the detected species. Experimental data are well reproduced by the model for most species. The addition of a VOC inside the initial reagents mixture creates an important reactivity increase, in particular in the case of butan-2-ol seeded flames. The analysis of reactional ways has permitted to draw out the main reactions responsible for the degradation of the 3 VOCs and the ways of formation and consumption of the

  2. 21 CFR 172.872 - Methyl ethyl cellulose.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Methyl ethyl cellulose. 172.872 Section 172.872... CONSUMPTION Multipurpose Additives § 172.872 Methyl ethyl cellulose. The food additive methyl ethyl cellulose... a cellulose ether having the general formula [C6H(10 -x-y)O5(CH3)x(C2H5)y]n, where x is the...

  3. IRIS Toxicological Review of Methyl Ethyl Ketone (2003 Final)

    Science.gov (United States)

    EPA announced the release of the final report, Toxicological Review of Methyl Ethyl Ketone: in support of the Integrated Risk Information System (IRIS). The updated Summary for Methyl Ethyl Ketone and accompanying toxicological review have been added to the IRIS Database....

  4. Purification and Characterization of Methyl Phthalyl Ethyl Glycolate (MPEG)

    Science.gov (United States)

    2014-11-21

    spectrum. The parent mass ion of butylated hydroxytoluene ( BHT ), an antioxidant present in diethyl ether, is observed and its fragmentation ion...205 BHT B 11.350 13.250 252 163 Methyl phthalyl methyl glycolate 12.109 14.075 266 163, 235 MPEG C 12.883 14.593 280 149, 235 Ethyl phthalyl ethyl

  5. Methyl and ethyl soybean esters production

    Energy Technology Data Exchange (ETDEWEB)

    Pighinelli, Anna Leticia Montenegro Turtelli; Park, Kil Jin; Zorzeto, Thais Queiroz [Universidade Estadual de Campinas (FEAGRI/UNICAMP), SP (Brazil). Fac. de Engenharia Agricola], E-mail: annalets@feagri.unicamp.br; Bevilaqua, Gabriela [Universidade Estadual de Campinas (IQ/UNICAMP), SP (Brazil). Inst. de Quimica

    2008-07-01

    Biodiesel is a fuel obtained from triglycerides found in nature, like vegetable oils and animal fats. Nowadays it has been the subject of many researches impulses by the creation of the Brazilian law that determined the blend of 2% of biodiesel with petrodiesel. Basically, there are no limitations on the oilseed type for chemical reaction, but due to high cost of this major feedstock, it is important to use the grain that is available in the region of production. Soybean is the oilseed mostly produced in Brazil and its oil is the only one that is available in enough quantity to supply the current biodiesel demand. The objective of this work was to study the effects of reaction time and temperature on soybean oil transesterification reaction with ethanol and methanol. A central composite experimental design with five variation levels was used and response surface methodology applied for the data analysis. The statistical analysis of the results showed that none of the factors affected the ethyl esters production. However, the methyl esters production suffered the influence of temperature (linear effect), reaction time (linear and quadratic) and interaction of these two variables. None of the generated models showed significant regression consequently it was not possible to build the response surface. The experiments demonstrated that methanol is the best alcohol for transesterification reactions and the ester yield was up to 85%. (author)

  6. 21 CFR 172.225 - Methyl and ethyl esters of fatty acids produced from edible fats and oils.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Methyl and ethyl esters of fatty acids produced... Methyl and ethyl esters of fatty acids produced from edible fats and oils. Methyl esters and ethyl esters... following prescribed conditions: (a) The additive consists of a mixture of either methyl or ethyl esters of...

  7. 40 CFR 180.483 - O-[2-(1,1-Dimethylethyl)-5-pyrimidinyl] O-ethyl-O-(1-methyl-ethyl) phosphorothioate; tolerances...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false O- O-ethyl-O-(1-methyl-ethyl... FOOD Specific Tolerances § 180.483 O- O-ethyl-O-(1-methyl-ethyl) phosphorothioate; tolerances for residues. Time-limited tolerances are established for residues of the insecticide O-...

  8. DISCOVERY OF METHYL ACETATE AND GAUCHE ETHYL FORMATE IN ORION

    Energy Technology Data Exchange (ETDEWEB)

    Tercero, B.; Cernicharo, J.; Lopez, A.; Caro, G. M. Munoz [Department of Astrophysics, CAB, INTA-CSIC, Crta Torrejon-Ajalvir, km. 4, E-28850 Torrejon de Ardoz, Madrid (Spain); Kleiner, I.; Nguyen, H. V. L., E-mail: terceromb@cab.inta-csic.es, E-mail: jcernicharo@cab.inta-csic.es, E-mail: lopezja@cab.inta-csic.es, E-mail: munozcg@cab.inta-csic.es, E-mail: isabelle.kleiner@lisa.u-pec.fr, E-mail: nguyen@pc.rwth-aachen.de [Laboratoire Interuniversitaire des Systemes Atmospheriques, CNRS/IPSL UMR7583 et Universites Paris Diderot et Paris Est, 61 av. General de Gaulle, F-94010 Creteil (France)

    2013-06-10

    We report on the discovery of methyl acetate, CH{sub 3}COOCH{sub 3}, through the detection of a large number of rotational lines from each one of the spin states of the molecule: AA species (A{sub 1} or A{sub 2}), EA species (E{sub 1}), AE species (E{sub 2}), and EE species (E{sub 3} or E{sub 4}). We also report, for the first time in space, the detection of the gauche conformer of ethyl formate, CH{sub 3}CH{sub 2}OCOH, in the same source. The trans conformer is also detected for the first time outside the Galactic center source SgrB2. From the derived velocity of the emission of methyl acetate, we conclude that it arises mainly from the compact ridge region with a total column density of (4.2 {+-} 0.5) Multiplication-Sign 10{sup 15} cm{sup -2}. The derived rotational temperature is 150 K. The column density for each conformer of ethyl formate, trans and gauche, is (4.5 {+-} 1.0) Multiplication-Sign 10{sup 14} cm{sup -2}. Their abundance ratio indicates a kinetic temperature of 135 K for the emitting gas and suggests that gas-phase reactions could participate efficiently in the formation of both conformers in addition to cold ice mantle reactions on the surface of dust grains.

  9. Discovery of Methyl Acetate and Gauche Ethyl Formate in Orion

    CERN Document Server

    Tercero, B; Cernicharo, J; Nguyen, H V L; López, A; Caro, G M Muñoz

    2013-01-01

    We report on the discovery of methyl acetate, CH3COOCH3, through the detection of a large number of rotational lines from each one of the spin states of the molecule: AA species (A1 or A2), EA species (E1), AE species (E2), EE species (E3 or E4). We also report the detection, for the first time in space, of the $gauche$ conformer of ethyl formate, CH3CH2OCOH, in the same source. The trans conformer is also detected for the first time outside the galactic center source SgrB2. From the derived velocity of the emission of methyl acetate we conclude that it arises mainly from the compact ridge region with a total column density of (4.2+-0.5)E15 cm(-2). The derived rotational temperature is 150 K. The column density for each conformer of ethyl formate, trans and gauche, is (4.5+-1.0)E14 cm(-2). Their abundance ratio indicates a kinetic temperature of 135 K for the emitting gas and suggests that gas phase reactions could participate efficiently in the formation of both conformers in addition to cold ice mantle reac...

  10. Crystal structure of azilsartan methyl ester ethyl acetate hemisolvate

    Directory of Open Access Journals (Sweden)

    Zhengyi Li

    2015-02-01

    Full Text Available The title compound, C26H22N4O5 (systematic name: methyl 2-ethoxy-1-{4-[2-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-ylphenyl]benzyl}-1H-1,3-benzodiazole-7-carboxylate ethyl acetate hemisolvate, was obtained via cyclization of methyl (Z-2-ethoxy-1-{(2′-(N′-hydroxycarbamimidoyl-[1,1′-biphenyl]-4-ylmethyl}-1H-benzo[d]imidazole-7-carboxylate with diphenyl carbonate. There are two independent molecules (A and B with different conformations and an ethyl acetate solvent molecule in the asymmetric unit. In molecule A, the dihedral angle between the benzene ring and its attached oxadiazole ring is 59.36 (17; the dihedral angle between the benzene rings is 43.89 (15 and that between the benzene ring and its attached imidazole ring system is 80.06 (11°. The corresponding dihedral angles in molecule B are 58.45 (18, 50.73 (16 and 85.37 (10°, respectively. The C—O—C—Cm (m = methyl torsion angles for the ethoxy side chains attached to the imidazole rings in molecules A and B are 93.9 (3 and −174.6 (3°, respectively. In the crystal, the components are linked by N—H...N and C—H...O hydrogen bonds, generating a three-dimensional network. Aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.536 (3Å] are also observed.

  11. 2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

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    Gui-Fen Lu

    2012-02-01

    Full Text Available The title pyrrole derivative compound, C12H17NO4, was synthesized from methyl 3-oxopentanoate by a Knorr-type reaction and contains a pyrrole ring to which two diagonal alkoxycarbonyl groups and two diagonal alkyl substituents are attached. The methylcarbonyl and ethylcarbonyl substituents are approximately co-planar with the pyrrole ring, making dihedral angles of 5.64 (2 and 3.44 (1°, respectively. In the crystal, adjacent molecules are assembled by pairs of N—H...O hydrogen bonds into dimers in a head-to-head mode.

  12. Searching for trans ethyl methyl ether in Orion KL(.)

    Science.gov (United States)

    Tercero, B; Cernicharo, J; López, A; Brouillet, N; Kolesniková, L; Motiyenko, R A; Margulès, L; Alonso, J L; Guillemin, J-C

    2015-10-01

    We report on the tentative detection of trans ethyl methyl ether (tEME), t-CH3CH2OCH3, through the identification of a large number of rotational lines from each one of the spin states of the molecule towards Orion KL. We also search for gauche-trans-n-propanol, Gt-n-CH3CH2CH2OH, an isomer of tEME in the same source. We have identified lines of both species in the IRAM 30 m line survey and in the ALMA Science Verification data. We have obtained ALMA maps to establish the spatial distribution of these species. Whereas tEME mainly arises from the compact ridge component of Orion, Gt-n-propanol appears at the emission peak of ethanol (south hot core). The derived column densities of these species at the location of their emission peaks are ≤(4.0 ± 0.8) × 10(15) cm(-2) and ≤(1.0 ± 0.2)× 10(15) cm(-2) for tEME and Gt-n-propanol, respectively. The rotational temperature is ~100 K for both molecules. We also provide maps of CH3OCOH, CH3CH2OCOH, CH3OCH3, CH3OH, and CH3CH2OH to compare the distribution of these organic saturated O-bearing species containing methyl and ethyl groups in this region. Abundance ratios of related species and upper limits to the abundances of non-detected ethers are provided. We derive an abundance ratio N(CH3OCH3)/N(tEME) ≥ 150 in the compact ridge of Orion.

  13. 77 FR 15015 - Revocation of Tolerance Exemptions for Diethyl Phthalate and Methyl Ethyl Ketone; No Data Being...

    Science.gov (United States)

    2012-03-14

    ... AGENCY 40 CFR Part 180 Revocation of Tolerance Exemptions for Diethyl Phthalate and Methyl Ethyl Ketone... diethyl phthalate and methyl ethyl ketone when used as inert ingredients in pesticide products because... tolerance exemptions for residues of diethyl phthalate and methyl ethyl ketone in or on raw agricultural...

  14. 40 CFR 63.61 - Deletion of methyl ethyl ketone from the list of hazardous air pollutants.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 9 2010-07-01 2010-07-01 false Deletion of methyl ethyl ketone from... Designations, Source Category List § 63.61 Deletion of methyl ethyl ketone from the list of hazardous air pollutants. The substance methyl ethyl ketone (MEK, 2-Butanone) (CAS Number 78-93-3) is deleted from the list...

  15. Searching for trans ethyl methyl ether in Orion KL⋆

    Science.gov (United States)

    Tercero, B.; Cernicharo, J.; López, A.; Brouillet, N.; Kolesniková, L.; Motiyenko, R. A.; Margulès, L.; Alonso, J. L.; Guillemin, J.-C.

    2015-10-01

    We report on the tentative detection of trans ethyl methyl ether (tEME), t-CH3CH2OCH3, through the identification of a large number of rotational lines from each one of the spin states of the molecule towards Orion KL. We also search for gauche-trans-n-propanol, Gt-n-CH3CH2CH2OH, an isomer of tEME in the same source. We have identified lines of both species in the IRAM 30 m line survey and in the ALMA Science Verification data. We have obtained ALMA maps to establish the spatial distribution of these species. Whereas tEME mainly arises from the compact ridge component of Orion, Gt-n-propanol appears at the emission peak of ethanol (south hot core). The derived column densities of these species at the location of their emission peaks are ≤(4.0 ± 0.8) × 1015 cm-2 and ≤(1.0 ± 0.2) × 1015 cm-2 for tEME and Gt-n-propanol, respectively. The rotational temperature is ~100 K for both molecules. We also provide maps of CH3OCOH, CH3CH2OCOH, CH3OCH3, CH3OH, and CH3CH2OH to compare the distribution of these organic saturated O-bearing species containing methyl and ethyl groups in this region. Abundance ratios of related species and upper limits to the abundances of non-detected ethers are provided. We derive an abundance ratio N(CH3OCH3)/N(tEME) ≥ 150 in the compact ridge of Orion. This paper makes use of the following ALMA data: ADS/JAO.ALMA#2011.0.00009.SV. ALMA is a partnership of ESO (representing its member states), NSF (USA), and NINS (Japan) with NRC (Canada), NSC, and ASIAA (Taiwan), and KASI (Republic of Korea), in cooperation with the Republic of Chile. The Joint ALMA Observatory is operated by ESO, AUI/NRAO, and NAOJ. This work was also based on observations carried out with the IRAM 30-m telescope. IRAM is supported by INSU/CNRS (France), MPG (Germany), and IGN (Spain).Appendix A is available in electronic form at http://www.aanda.org

  16. Searching for Trans Ethyl Methyl Ether in Orion KL

    CERN Document Server

    Tercero, B; López, A; Brouillet, N; Kolesniková, L; Motiyenko, R A; Margulès, L; Alonso, J L; Guillemin, J -C

    2015-01-01

    We report on the tentative detection of $trans$ Ethyl Methyl Ether (tEME), $t-CH_3CH_2OCH_3$, through the identification of a large number of rotational lines from each one of the spin states of the molecule towards Orion KL. We also search for $gauche$-$trans$-n-propanol, $Gt-n-CH_3CH_2CH_2OH$, an isomer of tEME in the same source. We have identified lines of both species in the IRAM 30m line survey and in the ALMA Science Verification data. We have obtained ALMA maps to establish the spatial distribution of these species. Whereas tEME mainly arises from the compact ridge component of Orion, Gt-n-propanol appears at the emission peak of ethanol (south hot core). The derived column densities of these species at the location of their emission peaks are $\\leq(4.0\\pm0.8)\\times10^{15} cm^{-2}$ and $\\leq(1.0\\pm0.2)\\times10^{15} cm^{-2}$ for tEME and Gt-n-propanol, respectively. The rotational temperature is $\\sim100 K$ for both molecules. We also provide maps of $CH_3OCOH$, $CH_3CH_2OCOH$, $CH_3OCH_3$, $CH_3OH$, a...

  17. PHENOL-2-(1-METHYL ETHOXY-METHYL CARBAMATE COUMPOUND IN ETHYL ACETATE EXTRACT OF STEM BARK OF Aglaia angustifolia

    Directory of Open Access Journals (Sweden)

    Sofnie M. Chairul

    2010-06-01

    Full Text Available Isolation of carbamate coumpound from ethyl acetate extract of stem bark of Aglaia angustifolia (Meliaceae, was carried out. The dried stem bark of A. angustifolia was extracted with ethanol (polar solvent, ethyl acetate (medium of polar and water. From there extract solvent was biological activity test to Crocidolomia binotallis. Ethyl acetate extract solvent more active than another solvent, so that this extract was fractioned and clean up using chromatograpgy column, use SiO2 as stationary phase, mixture of n-hexane/ethyl acetate (10:1 ~ 1:1, ethyl acetate, and ethanol respectively as elution solution. The result of Biological activity test to C. binotallis showed that fraction of ethyl acetate inhibited growth on LC50 3.57 ppm. The compound of isolation result using HPLC, GCMS, FTIR and NMR was identified as phenol-2(1-methyl ethoxy methyl carbamate coumpound, active as botanical insecticide.   Keywords: Meliaceae, A. angustifolia, carbamate, phenol-2 (1-methyl ethoxy methyl carbamate

  18. Assessing the neurotoxic potential of methyl ethyl ketoxime in rats.

    Science.gov (United States)

    Schulze, G E; Derelanko, M J

    1993-11-01

    The potential of methyl ethyl ketoxime (MEKO) to produce neurotoxicity following acute and subchronic exposure was studied in rats. A Functional Observational Battery, assessment of motor activity, and neuropathology evaluations were conducted in the context of acute and subchronic toxicity studies. Three independent studies are reported: a pilot time-effect study designed to determine the time course and time to peak effect following a single high dose of MEKO, a single-dose neurotoxicity study, and a subchronic (13-week) repeated-dose neurotoxicity study in rats. An acrylamide-positive control group was included in the acute and subchronic studies for comparison with MEKO. Following an acute oral exposure of MEKO at a dose level of 900 mg/kg, locomotor activity was decreased compared to control with maximum decreases occurring between 30 and 60 min following oral administration. In the acute study, transient treatment-related changes in ease of cage removal, ease of handling, and in posture and gait were observed 1 hr after dosing with 900 mg/kg MEKO, as were significant depressions in motor activity. Following a single 300 mg/kg dose, transient MEKO-related changes in gait and aerial righting reflex were noted 1 hr after dosing. All effects were reversible within 24 hr of dosing. The single 100 mg/kg dose of MEKO was without observable effects. No acrylamide-related behavioral effects were noted following a single 50 mg/kg dose. In the subchronic study, transient treatment-related changes in ease of cage removal, ease of handling, and in posture, gait, and aerial righting were observed at the 400 mg/kg/day dose level when assessments were conducted immediately after dose administration. No consistent behavioral effects were observed prior to daily dose administration even after 13 weeks of exposure, indicating a lack of cumulative behavioral effect. No consistent behavioral changes were noted at doses of 125 mg/kg/day and below. Significant dose

  19. Intermittent trickling bed filter for the removal of methyl ethyl ketone and methyl isobutyl ketone.

    Science.gov (United States)

    Farnazo, Danvir Mark C; Nisola, Grace M; Han, Mideok; Yoo, Namjong; Chung, Wook-Jin

    2012-05-01

    Biodegradations of methyl ethyl ketone and methyl isobutyl ketone were performed in intermittent biotrickling filter beds (ITBF) operated at two different trickling periods: 12 h/day (ITBF-12) and 30 min/day (ITBF-0.5). Ralstonia sp. MG1 was able to degrade both ketones as evidenced by growth kinetic experiments. Results show that trickling period is an important parameter to achieve high removal performance and to maintain the robustness of Ralstonia sp. MG1. Overall, ITBF-12 outperformed ITBF-0.5 regardless of the target compound. ITBF-12 had high performance recovery at various inlet gas concentrations. The higher carbon dioxide production rates in ITBF-12 suggest higher microbial activity than in ITBF-0.5. Additionally, lower concentrations of absorbed volatile organic compound (VOC) in trickling solutions of ITBF-12 systems also indicate VOC removal through biodegradation. Pressure drop levels in ITBF-12 were relatively higher than in ITBF-0.5 systems, which can be attributed to the decrease in packed bed porosity as Ralstonia sp. MG1 grew well in ITBF-12. Nonetheless, the obtained pressure drop levels did not have any adverse effect on the performance of ITBF-12. Biokinetic constants were also obtained which indicated that ITBF-12 performed better than ITBF-0.5 and other conventional biotrickling filter systems.

  20. Layered metal laurates as active catalysts in the methyl/ethyl esterification reactions of lauric acid

    Energy Technology Data Exchange (ETDEWEB)

    Lisboa, Fabio da Silva; Cordeiro, Claudiney S.; Wypych, Fernando, E-mail: wypych@ufpr.br [Centro de Pesquisas em Quimica Aplicada (CEPESQ), Departamento de Quimica, Universidade Federal do Parana, Curitiba, PR (Brazil); Gardolinski, Jose Eduardo F. da Costa [Laboratorio de Analise de Minerais e Rochas (LAMIR), Departamento de Geologia, Universidade Federal do Parana, Curitiba, PR (Brazil)

    2012-07-01

    In this work we report the synthesis, characterization and investigation of the catalytic activity of layered copper(II), manganese(II), lanthanum(III) and nickel(II) laurates in the methyl and ethyl esterification reactions of lauric acid. In the methyl esterification, conversions between 80 and 90% were observed for all catalysts, while for the ethyl esterification only manganese laurate showed reasonable catalytic activity, with conversions close to 75%. Reuse of copper and lanthanum laurates in three cycles of reaction was also investigated and both catalysts preserved the structure and retained catalytic activity close to that observed for the first reaction cycle. (author)

  1. Experimental Autoignition of C4-C6 Saturated and Unsaturated Methyl and Ethyl Esters

    CERN Document Server

    Bennadji, Hayet; Coniglio-Jaubert, Lucie; Billaud, Francis; Glaude, Pierre-Alexandre; Battin-Leclerc, Frédérique

    2009-01-01

    Autoignition delay times, ?, of methyl crotonate, methyl acrylate, ethyl butanoate, ethyl crotonate, and ethyl acrylate were studied in shock tube experiments. A series of mixtures diluted with argon, of varying fuel/oxygen equivalence ratios (?=0.25, 0.4, 1.0, and 2.0), were measured behind reflected shock waves over the temperature range of 1280-1930 K, pressure range of 7-9.65 atm, during which the logarithm of ? varies linearly as a function of the inverse temperature for all equivalence ratios. The ignition delay time decreases as temperature rises. The dependence of ? on temperature, and reactant concentrations is given in an empirical correlation. The results provide a database for the validation of small saturated and unsaturated esters kinetic mechanisms at elevated temperatures and pressure combustion.

  2. N-acetylcysteine and hemodialysis treatment of a severe case of methyl ethyl ketone peroxide intoxication

    NARCIS (Netherlands)

    van Enckevort, C C G; Touw, D J; Vleming, L-J

    2008-01-01

    The plastic hardener methyl ethyl ketone peroxide (MEKP) is an unstable peroxide that releases free oxygen radicals. Ingestion of this compound induces widespread liver necrosis that is often fatal, extensive ulceration with subsequent scarring, and stenosis of the proximal digestive tract in surviv

  3. N-acetylcysteine and hemodialysis treatment of a severe case of methyl ethyl ketone peroxide intoxication

    NARCIS (Netherlands)

    van Enckevort, C C G; Touw, D J; Vleming, L-J

    2008-01-01

    The plastic hardener methyl ethyl ketone peroxide (MEKP) is an unstable peroxide that releases free oxygen radicals. Ingestion of this compound induces widespread liver necrosis that is often fatal, extensive ulceration with subsequent scarring, and stenosis of the proximal digestive tract in surviv

  4. Chemodynamics of Methyl Parathion and Ethyl Parathion: Adsorption Models for Sustainable Agriculture

    Science.gov (United States)

    Rafique, Uzaira; Balkhair, Khaled S.; Ashraf, Muhammad Aqeel

    2014-01-01

    The toxicity of organophosphate insecticides for nontarget organism has been the subject of extensive research for sustainable agriculture. Pakistan has banned the use of methyl/ethyl parathions, but they are still illegally used. The present study is an attempt to estimate the residual concentration and to suggest remedial solution of adsorption by different types of soils collected and characterized for physicochemical parameters. Sorption of pesticides in soil or other porous media is an important process regulating pesticide transport and degradation. The percentage removal of methyl parathion and ethyl parathion was determined through UV-Visible spectrophotometer at 276 nm and 277 nm, respectively. The results indicate that agricultural soil as compared to barren soil is more efficient adsorbent for both insecticides, at optimum batch condition of pH 7. The equilibrium between adsorbate and adsorbent was attained in 12 hours. Methyl parathion is removed more efficiently (by seven orders of magnitude) than ethyl parathion. It may be attributed to more available binding sites and less steric hindrance of methyl parathion. Adsorption kinetics indicates that a good correlation exists between distribution coefficient (Kd) and soil organic carbon. A general increase in Kd is noted with increase in induced concentration due to the formation of bound or aged residue. PMID:24689059

  5. Chemodynamics of methyl parathion and ethyl parathion: adsorption models for sustainable agriculture.

    Science.gov (United States)

    Tabassum, Noshabah; Rafique, Uzaira; Balkhair, Khaled S; Ashraf, Muhammad Aqeel

    2014-01-01

    The toxicity of organophosphate insecticides for nontarget organism has been the subject of extensive research for sustainable agriculture. Pakistan has banned the use of methyl/ethyl parathions, but they are still illegally used. The present study is an attempt to estimate the residual concentration and to suggest remedial solution of adsorption by different types of soils collected and characterized for physicochemical parameters. Sorption of pesticides in soil or other porous media is an important process regulating pesticide transport and degradation. The percentage removal of methyl parathion and ethyl parathion was determined through UV-Visible spectrophotometer at 276 nm and 277 nm, respectively. The results indicate that agricultural soil as compared to barren soil is more efficient adsorbent for both insecticides, at optimum batch condition of pH 7. The equilibrium between adsorbate and adsorbent was attained in 12 hours. Methyl parathion is removed more efficiently (by seven orders of magnitude) than ethyl parathion. It may be attributed to more available binding sites and less steric hindrance of methyl parathion. Adsorption kinetics indicates that a good correlation exists between distribution coefficient (Kd) and soil organic carbon. A general increase in Kd is noted with increase in induced concentration due to the formation of bound or aged residue.

  6. [Influence of 2-ethyl-6-methyl-3-hydroxypyridine hemisuccinate on cerebral blood perfusion in rats under experimental pathology conditions].

    Science.gov (United States)

    Gan'shina, T S; Gorbunov, A A; Gnezdilova, A V; Kurdiumov, I N; Avdiunina, N I; Piatin, B M; Mirzoian, R S

    2011-01-01

    Experiments on rats showed that 2-ethyl-6-methyl-3-hydroxypyridine hemisuccinate increases cerebral blood flow in the system of carotid arteries both in intact animals and under conditions of global transient ischemia. In combination with tropoxin, 2-ethyl-6-methyl-3-hydroxypyridine hemisuccinate enhances the blood flow in the inner carotid artery of intact rats and the local blood flow under conditions of global transient ischemia. A combination of 2-ethyl-6-methyl-3-hydroxypyridine hemisuccinate and tropoxin increases baseline cerebral blood flow and decreases the constrictor reaction of cerebral blood vessels to 5HT(2B/2C) receptor agonist meta-chlorophenylpiperazine.

  7. Fumigation of wheat using liquid ethyl formate plus methyl isothiocyanate in 50-tonne farm bins.

    Science.gov (United States)

    Ren, Yonglin; Lee, Byungho; Mahon, Daphne; Xin, Ni; Head, Matthew; Reid, Robin

    2008-04-01

    Australian Standard White wheat, Triticum aestivum L. (a marketing grade with mixed grain hardness),with a moisture content of 12.5% was fumigated with a new ethyl formate formulation (95% ethyl formate plus 5% methyl isothiocyanate) identified and developed by Commonwealth Scientific and Industrial Research Organization Entomology, Canberra, Australia. Wheat was fumigated with the formulation at a calculated application rate of 80 g/m3 in two 50-tonne sealed metal vertical silos located at Fisherman Islands, Queensland, Australia. Access was gained through the top of the silo where the application of the formulation was completed within a few minutes by pouring it onto the top of the wheat. After 2 h of recirculation, using a 0.5-kW fan, the in-bin concentrations of ethyl formate achieved equilibrium with a concentration variation wheat germination and seed color compared with untreated controls.

  8. Biofiltration of odours - industrial pilot to treat methyl ethyl ketone and toluene

    Energy Technology Data Exchange (ETDEWEB)

    Otten, L.; Elsie, K. [Univ. of Guelph, School of Engineering, Guelph, Ontario (Canada)

    2002-06-15

    Methyl ethyl ketone and toluene in the off-gases of a plant producing polyvinyl chloride sheeting for the automotive industry and swimming pools caused frequent odour complaints from the neighbourhood. A pilot project was developed to investigate the removal of the compounds under actual operating conditions by passing part of the exhaust through a compost-based, three-stage biofilter. It was determined over the 156 days of operation that the removal efficiencies of methyl ethyl ketone and toluene averaged 73% and 49%, respectively. It was also shown that shutdowns and disruptions of the laminating process for short and extended periods did not affect the biofilter performance. Addition of 100g/L solution of KNO{sub 3} as a nitrogen source did not improve the performance. Carbon dioxide concentration data and the presence of an average microbial population of 52 million colony forming units per gram provided evidence that biological degradation played a significant role in the reduction of methyl ethyl ketone and toluene in the off-gases of the laminator. (author)

  9. Complete Genome of Rhodococcus pyridinivorans SB3094, a Methyl-Ethyl-Ketone-Degrading Bacterium Used for Bioaugmentation

    DEFF Research Database (Denmark)

    Dueholm, Morten Simonsen; Albertsen, Mads; D'Imperio, Seth;

    2014-01-01

    Here, we present the complete genome of Rhodococcus pyridinivorans SB3094, a methyl-ethyl-ketone (MEK)-degrading strain used for bioaugmentation relating to the treatment of wastewater contamination with petrochemical hydrocarbons. The genome highlights important features for bioaugmentation...

  10. Alkali metal ion catalysis and inhibition in nucleophilic displacement reactions at phosphorus centers: ethyl and methyl paraoxon and ethyl and methyl parathion.

    Science.gov (United States)

    Um, Ik-Hwan; Shin, Young-Hee; Lee, Seung-Eun; Yang, Kiyull; Buncel, Erwin

    2008-02-01

    We report on the ethanolysis of the P=O and P=S compounds ethyl and methyl paraoxon (1a and 1b) and ethyl and methyl parathion (2a and 2b). Plots of spectrophotometrically measured rate constants, kobsd versus [MOEt], the alkali ethoxide concentration, show distinct upward and downward curvatures, pointing to the importance of ion-pairing phenomena and a differential reactivity of free ions and ion pairs. Three types of reactivity and selectivity patterns have been discerned: (1) For the P=O compounds 1a and 1b, LiOEt > NaOEt > KOEt > EtO-; (2) for the P=S compound 2a, KOEt > EtO- > NaOEt > LiOEt; (3) for P=S, 2b, 18C6-crown-complexed KOEt > KOEt = EtO(-) > NaOEt > LiOEt. These selectivity patterns are characteristic of both catalysis and inhibition by alkali-metal cations depending on the nature of the electrophilic center, P=O vs P=S, and the metal cation. Ground-state (GS) vs transition-state (TS) stabilization energies shed light on the catalytic and inhibitory tendencies. The unprecedented catalytic behavior of crowned-K(+) for the reaction of 2b is noteworthy. Modeling reveals an extreme steric interaction for the reaction of 2a with crowned-K(+), which is responsible for the absence of catalysis in this system. Overall, P=O exhibits greater reactivity than P=S, increasing from 50- to 60-fold with free EtO(-) and up to 2000-fold with LiOEt, reflecting an intrinsic P=O vs P=S reactivity difference (thio effect). The origin of reactivity and selectivity differences in these systems is discussed on the basis of competing electrostatic effects and solvational requirements as function of anionic electric field strength and cation size (Eisenman's theory).

  11. Novel 4-methyl-2-oxopentanoate reductase involved in synthesis of the Japanese sake flavor, ethyl leucate.

    Science.gov (United States)

    Shimizu, Motoyuki; Yamamoto, Tatsuya; Okabe, Natsumi; Sakai, Kiyota; Koide, Emiri; Miyachi, Yuta; Kurimoto, Maki; Mochizuki, Mai; Yoshino-Yasuda, Shoko; Mitsui, Shun; Ito, Akitoshi; Murano, Hirotatsu; Takaya, Naoki; Kato, Masashi

    2016-04-01

    Ethyl-2-hydroxy-4-methylpentanoate (ethyl leucate) contributes to a fruity flavor in Japanese sake. The mold Aspergillus oryzae synthesizes leucate from leucine and then the yeast Saccharomyces cerevisiae produces ethyl leucate from leucate during sake fermentation. Here, we investigated the enzyme involved in leucate synthesis by A. oryzae. The A. oryzae gene/cDNA encoding the enzyme involved in leucate synthesis was identified and expressed in E. coli and A. oryzae host cells. The purified recombinant enzyme belonged to a D-isomer-specific 2-hydroxyacid dehydrogenase family and it NADPH- or NADH-dependently reduced 4-methyl-2-oxopentanate (MOA), a possible intermediate in leucine synthesis, to D-leucate with a preference for NADPH. Thus, we designated this novel enzyme as MOA reductase A (MorA). Furthermore, an A. oryzae strain overexpressing morA produced 125-fold more leucate than the wild-type strain KBN8243. The strain overexpressing MorA produced 6.3-fold more ethyl leucate in the sake than the wild-type strain. These findings suggest that the strain overexpressing morA would help to ferment high-quality sake with an excellent flavor. This is the first study to identify the MOA reductase responsible for producing D-leucate in fungi.

  12. Evaluation and Characterization of Biodiesels Obtained Through Ethylic or Methylic Transesterification of Tryacylglicerides in Corn Oil

    Directory of Open Access Journals (Sweden)

    Douglas Queiroz Santos

    2014-06-01

    Full Text Available This work was devoted to the transesterification of corn oil either with methyl or ethyl alcohol and to the characterization of the biodiesels (composed by FAME—fatty acid methyl esters—or FAEE—fatty acid ethyl esters, respectively produced. As an initial hypothesis, it was argued whether or not the two alcohols, both with short molecular chains, would impart significant differences to the chemical characteristics of the two biodiesels from corn oil. The most common properties of the biodiesels were evaluated by determining corresponding parameters for acid value, peroxide value, water content, oxidative stability, free and total glycerin, kinematic viscosity at 40 ℃ and density at 20 ℃, for both chemical routes, FAME and FAEE. In general, values were found to be well within the recommended limits for commercial biodiesel, in accordance with the Brazilian, European and American standard recommendations, except only for the oxidative stability. The methyl biodiesel presented acidity of 0.08 mg KOH/g; peroxide index, 23.77 meq/kg; oxidation stability, 3.10 h; water content, 297.1 mg/kg; total glycerin, 0.092 %; free glycerin, 0.009 %; viscosity, 4.05 mm2/s and density, 878.7 kg/m. The methyl biodiesel presented acidity of 0.11 mg/ KOH; peroxide index, 22.39 meq/kg; oxidation stability, 2.13 h; water content, 264.8 mg/kg; total glycerin, 0.25 %; free glycerin, 0.02 %; viscosity, 4.37 mm2/s and density, 874.0 kg/m. From a direct inspection of chemical data for the two products prepared via the two chemical routes, it can be drawn that values of the physical and chemical parameters for both, methyl and ethyl biodiesels, are essentially similar, except for the oxidative stability. However, the oxidative stability can be suitably adjusted by adding an anti-oxidizing agent to the ethyl biodiesel medium. The two biodiesels are thus promising alternatives to fully replace or to be admixed to the mineral diesel. Relatively to the pure petrol

  13. Densities and Kinematic Viscosities for the Systems Benzene + Methyl Formate, Benzene + Ethyl Formate, Benzene + Propyl Formate, and Benzene + Butyl Formate

    DEFF Research Database (Denmark)

    Emmerling, Uwe; Rasmussen, Peter

    1998-01-01

    Densities and kinematic viscosities have been measured for the system benzene + methyl formate at 20°C and for the systems benzene + ethyl formate, benzene + propyl formate, and benzene + butyl formate from 20°C to 50°C. The results for the system benzene + methyl formate have been correlated usi...

  14. The stability of methyl-, ethyl- and fluoroethylesters against carboxylesterases in vitro: there is no difference

    Energy Technology Data Exchange (ETDEWEB)

    Nics, Lukas [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Nutritional Sciences, University of Vienna, A-1090 Vienna (Austria); Haeusler, Daniela [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Pharmaceutical Technology and Biopharmaceutics, University of Vienna, A-1090 Vienna (Austria); Wadsak, Wolfgang [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Inorganic Chemistry, University of Vienna, A-1090 Vienna (Austria); Wagner, Karl-Heinz [Department of Nutritional Sciences, University of Vienna, A-1090 Vienna (Austria); Dudczak, Robert; Kletter, Kurt [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Mitterhauser, Markus, E-mail: markus.mitterhauser@meduniwien.ac.a [Department of Nuclear Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Department of Pharmaceutical Technology and Biopharmaceutics, University of Vienna, A-1090 Vienna (Austria); Hospital Pharmacy of the General Hospital of Vienna, A-1090 Vienna (Austria)

    2011-01-15

    Introduction: Carboxylesterases (CES) play a very important role in the hydrophilic biotransformation of a huge number of structurally diverse drugs and especially play a leading part in the catabolic pathway of carboxylesters or thioesters. Hence, the aim of the present study was the comparison of the in vitro stability of methyl- and ethylesters with fluoroethylesters. Methods: We incubated methyl 3{beta}-(4-iodophenyl)tropane-2{beta}-carboxylate ({beta}-CIT)/2-fluoroethyl 3{beta}-(4-iodophenyl)tropane-2{beta}-carboxylate (FE-CIT), methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (MTO)/ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (ETO)/2-fluoroethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (FETO), ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo-[f]imidazo[1,5-a]-[1,4] diazepine-3-carboxylate (FMZ)/2-fluoroethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo-[f]imidazo[1,5-a]-[1,4] diazepine-3-carboxylate (FFMZ), methyl 1-phenylethyl-4-(N-propanoylanilino)piperidine-4-carboxylate (CFN)/2-fluoroethyl 1-phenylethyl-4-(N-propanoylanilino)piperidine-4-carboxylate ((FE-CF)N) and methyl 2,4-diethyl-3-methylsulfanylcarbonyl-6-phenylpyridine-5-carboxylate [(Me){sup 2}-SUPPY]/2-fluorethyl 2,4-diethyl-3-ethylsulfanylcarbonyl-6-phenylpyridine-5-carboxylate (FE-SUPPY) under physiological conditions. The enzymatic reactions were stopped at different time points and analyzed by a standard protocol. Results: The Michaelis-Menten constants (K{sub M}) and limiting velocities (V{sub max}) are comparable. The statistical K{sub M} values were as follows: {beta}-CIT/FE-CIT, P>.05; MTO/FETO, P>.06; ETO/FETO, P>.09; FMZ/FFMZ, P>.05; CFN/ (FE-CFN), P>.9; (Me){sup 2}-SUPPY/FE-SUPPY, P>.07. Conclusion: We found no statistical difference in stability against CES in vitro. These findings support the strategy to translate C-11-methyl-/ethylesters into their longer-lived F-18-fluoroethyl analogues.

  15. Trans-ethyl methyl ether in space - A new look at a complex molecule in selected hot core regions

    CERN Document Server

    Fuchs, G W; Giesen, T F; Wyrowski, F

    2005-01-01

    An extensive search for the complex molecule trans-ethyl methyl ether towards several hot core regions has been performed. Using the IRAM 30m telescope and the SEST 15m we looked at several frequencies where trans-ethyl methyl ether has strong transitions, as well as lines which are particularly sensitive to the physical conditions in which the molecule can be found. We included G34.26, NGC6334(I), Orion KL, and W51e2 which have previously been proven to have a rich chemistry of complex molecules. Our observations cannot confirm the tentative Orion KL detection made by Charnley et al. (2001) within their stated column density limits, but we confirm the existence of the trans-ethyl methyl ether towards W51e2 with a column density of 2x10^14 cm-2. The dimethyl ether/methanol ratio of 0.6 as well as the newly found ethyl methyl ether/ethanol ratio of 0.13 indicate relative high abundances of ethers toward W51e2. Furthermore, the observation of ethyl methyl ether also confirms the importance of ethanol as a grain...

  16. Study of Density,Viscosity and Ultrasonic properties of Ethyl/methyl-4-(aryl-6-methyl-2-oxo/thioxo-1, 2, 3, 4-tetrahydropyridimidine-5-carboxylate

    Directory of Open Access Journals (Sweden)

    Sonal Dilip Bajaj

    2015-01-01

    Full Text Available Density (ρ and viscosity (η and Ultrasonic velocity (v of some substituted pyrimidines viz. Ethyl 4-(4-chlorophenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,Ethyl-4-(4-chlorophenyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate , Ethyl 4-(furan-2-ylmethyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate , Ethyl 4-(furan-2-ylmethyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate , Ethyl 4-(2-hydroxyphenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate have been measured in ethanolic solution of  different concentrations(0.1%,0.05%,0.025%,0.0125%,1.0%,0.5%,0.25%,0.125%. Various acoustical parameters such as adiabatic compressibility(βad,intermolecular free length(Lf , relaxation time (Ʈ,free volume (Vf,internal pressure (Πi,acoustic impedance (Z, surface tension(S, attenuation(a/f2,Rao’s constant(R,molar volume(Vm, cohessive energy(CE of these solutions were computed from the experimental  velocity, viscosity and density measurements. The changes in the acoustical properties nave been used to interpret various molecular interactions in these solutions. Solute solvent interaction seems to be significant in system studied.

  17. A comparative study of the chemical kinetics of methyl and ethyl propanoate

    KAUST Repository

    Farooq, Aamir

    2014-10-01

    High temperature pyrolysis of methyl propanoate (CH3CH 2C(O)OCH3) and ethyl propanoate (CH3CH 2C(O)OCH2CH3) was studied behind reflected shock waves at temperatures of 1250-1750 K and pressure of 1.5 atm. Species time-histories were recorded for CO, CO2, C2H4, and H2O using laser absorption methods over a test time of 1 ms. Pyrolysis of methyl propanoate (MP) appears to be faster than that of ethyl propanoate (EP) under the present experimental conditions, where CO and CO 2 reach their plateau values faster for MP at a specific temperature and fuel concentration. Higher plateau values are reached for CO in case of MP while the CO2 levels are similar for the two ester fuels. Ethylene production is larger for EP due to the presence of six-centered ring elimination reaction that produces ethylene and propanoic acid. Very little H2O is produced during MP pyrolysis in contrast with appreciable H2O production from EP. Sensitivity and rate-of-production analyses were carried out to identify key reactions that affect the measured species profiles. Previous kinetic mechanisms of Yang et al. (2011) [1,2] and Metcalf et al. (2009, 2007) [3,4] were used as base models and then refined to propose a new MP/EP pyrolysis mechanism. © 2014 Elsevier Ltd. All rights reserved.

  18. Disposition of methyl ethyl ketoxime in the rat after oral, intravenous and dermal administration.

    Science.gov (United States)

    Burka, L T; Black, S R; Mathews, J M

    1998-10-01

    1. The disposition of 14C-methyl ethyl ketoxime (MEKO) was determined in the male F344 rat following oral, intravenous (i.v.) and dermal administration. 2. Oral doses of 2.7, 27 and 270 mg/kg were primarily excreted as CO2 (71-49%) in decreasing percentage as the dose increased. Excretion in urine (13-26%) and as volatiles (5-18%) increased as the dose increased. Five to 6% of the dose remained in the major tissues after 72 h. 3. An i.v. dose of 2.7 mg/kg was also principally excreted as CO2 (48.8%) with excretion in urine and as expired volatiles accounting for 21.4 and 11.4%, respectively. About 7% of the administered radioactivity remained in the tissues after 72 h. 4. Following dermal administration, 13 and 26% of a 2.7 and 270 mg/kg dose, respectively, were absorbed. Volatilization from the dose site prior to placement in the metabolism cage may account for the low absorption. 5. MEKO was biotransformed to at least five polar metabolites that could only be partially resolved by anion exchange chromatography. Incubation with glucuronidase, but not sulphatase, changed the urinary metabolic profile. Methyl ethyl ketone was a major component in the volatiles.

  19. Condensation Reaction of 5, 6-Dihydro-6-methyl-6-piperonyl-2H- pyran-2,4-dione, Ethyl Orthoformate and Substituted Anilines

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Piperonyl methyl ketone was obtained by oxidizing isosafrole with hydrogen peroxide and formic acid. Dianion of ethyl acetoacetate reacted with piperonyl methyl ketone and 5, 6-dihydro-6-methyl-6-piperonyl-2H-pyran-2, 4-dione was prepared, which reacted with substituted anilines in the presence of ethyl orthoformate to obtain 3-anilinomethylene-5, 6- dihydro- 6-methyl-6-piperonyl-2H-pyran-2, 4-diones. Their structures were confirmed by 1HNMR and elemental analysis.

  20. 40 CFR 721.8450 - 2-Propenoic acid, 2-methyl-, 2-[3-(2H-benzotriazol-2-yl)-4-hydroxyphenyl]ethyl ester.

    Science.gov (United States)

    2010-07-01

    ... ester. 721.8450 Section 721.8450 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.8450 2-Propenoic acid, 2-methyl-, 2- ethyl ester. (a) Chemical substance... acid, 2-methyl-, 2- ethyl ester, (PMN P-90-333) is subject to reporting under this section for...

  1. Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Mao, James X.; Lee, Anita S.; Kitchin, John R.; Nulwala, Hunaid B.; Luebke, David R.; Damodaran, Krishnan

    2013-01-25

    Density Functional Theory is used to investigate a weakly coordinating room-temperature ionic liquid, 1-ethyl-3-methyl imidazolium tetracyanoborate ([Emim]{sup +}[TCB]{sup -}). Four locally stable conformers of the ion pair were located. Atoms-in-molecules (AIM) and electron density analysis indicated the existence of several hydrogen bonds. Further investigation through the Natural Bond Orbital (NBO) and Natural Energy Decomposition Analysis (NEDA) calculations provided insight into the origin of interactions in the [Emim]{sup +}[TCB]{sup -} ion pair. Strength of molecular interactions in the ionic liquid was correlated with frequency shifts of the characteristic vibrations of the ion pair. Harmonic vibrations of the ion pair were also compared with the experimental Raman and Infrared spectra. Vibrational frequencies were assigned by visualizing displacements of atoms around their equilibrium positions and through Potential Energy Distribution (PED) analysis.

  2. Leaching of Oil from Tuna Fish Liver by Using Solvent of Methyl-Ethyl Ketone

    Directory of Open Access Journals (Sweden)

    Mirna Rahmah Lubis

    2013-12-01

    Full Text Available Research of oil leaching from Tuna Fish Liver has been carried out by extracting of tuna fish liver in soxhlet by using methyl-ethyl ketone as solvent. Liver of fresh tuna fish is blended, put into soxhlet, and extracted at temperatures of 60oC, 65oC, 70oC, 75oC, and 80oC. After obtaining the oil, separation between solvent and oil is carried out by distillation. Oil obtained is analyzed by testing the yield, acid number, Iodine value, viscosity, and its impurities content. Yield obtained is influenced by temperature and time of leaching. Both variables indicates that the higher the variables, the more fish liver oil obtained. Maximum yield obtained is 25.552% at operating condition of leaching temperature 80oC, and leaching duration of 5 hours.

  3. Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Mao, James X; Lee, Anita S; Kitchin, John R; Nulwala, Hunaid B; Luebke, David R; Damodaran, Krishnan

    2013-04-24

    Density Functional Theory is used to investigate a weakly coordinating room-temperature ionic liquid, 1-ethyl-3-methyl imidazolium tetracyanoborate ([Emim]{sup +}[TCB]{sup -}). Four locally stable conformers of the ion pair were located. Atoms-in-molecules (AIM) and electron density analysis indicated the existence of several hydrogen bonds. Further investigation through the Natural Bond Orbital (NBO) and Natural Energy Decomposition Analysis (NEDA) calculations provided insight into the origin of interactions in the [Emim]{sup +}[TCB]{sup -} ion pair. Strength of molecular interactions in the ionic liquid was correlated with frequency shifts of the characteristic vibrations of the ion pair. Harmonic vibrations of the ion pair were also compared with the experimental Raman and Infrared spectra. Vibrational frequencies were assigned by visualizing displacements of atoms around their equilibrium positions and through Potential Energy Distribution (PED) analysis.

  4. Results obtained with methyl ethyl ketoxime for fixation of oxygen in water-steam cycles

    Energy Technology Data Exchange (ETDEWEB)

    Wal, W.J.F. van der

    1989-03-01

    It is a well-known problem that the oxygen dissolved in the feedwater is responsible to a large extent for the corrosion problems in steam raising systems. Hence it is a high-priority task of any feedwater treatment programme to provide for oxygen monitoring and control. Usually, the following two means are available and provided for in order to remove the dissolved oxygen in the feedwater: (1) A well functioning thermal degassing system, (2) an efficient agent for fixation of residual oxygen. The article in hand explains the properties of MEKO (methyl ethyl ketoxime) and the results obtained with this agent as an alternative to some other, currently used substances for oxygen removal.

  5. Selectivity of the plant growth regulators trinexapac-ethyl and sulfometuron-methyl to cultivated species

    Directory of Open Access Journals (Sweden)

    Núbia Maria Correia

    2012-06-01

    Full Text Available The aerial spraying of plant ripeners on sugar cane (Saccharum officinarum L. crops causes often the contamination of neighboring areas, which subsidizes formal complaints from the neighbors. These contaminations are due to spraying taking place during inadequate environmental conditions or from technical mistakes during the application. One of the most important causes of this contamination is the susceptibility of the species being cultivated surrounding sugar cane. In order to evaluate the effects of sugar cane plant ripeners trinexapac-ethyl and sulfometuron-methyl on peanuts, cotton, potato, coffee, citrus, beans, sunflower, cassava, rubber, soybean, and grapes, eleven experiments - one for each species - were carried out from May 2009 to Jan. 2010. The field experiment was set according to a completely random design with five treatments and four replications. Just before or during flowering, a single treatment of trinexapac-ethyl at 100 or 200 g ha-1 and sulfometuron-methyl at 7.5 or 15 g ha-1 was applied to plants. A control treatment (plants not treated for each species was part of each experiment. Trinexapac, at the doses of 100 and 200 g ha-1, showed selectivity to peanuts, cotton, potato, coffee, citrus, sunflower, cassava, rubber, soybean, and grape. At the lowest dose (100 g ha-1, it was selective for bean. Sulfometuron, at the dose of 7.5 g ha-1, was selective for peanuts and, at the two studied doses (7.5 and 15 g ha-1, it was selective for coffee, citrus, cassava, and rubber.

  6. Searching for trans ethyl methyl ether in Orion KL★,★★

    Science.gov (United States)

    Tercero, B.; Cernicharo, J.; López, A.; Brouillet, N.; Kolesniková, L.; Motiyenko, R. A.; Margulès, L.; Alonso, J. L.; Guillemin, J.-C.

    2015-01-01

    We report on the tentative detection of trans ethyl methyl ether (tEME), t-CH3CH2OCH3, through the identification of a large number of rotational lines from each one of the spin states of the molecule towards Orion KL. We also search for gauche-trans-n-propanol, Gt-n-CH3CH2CH2OH, an isomer of tEME in the same source. We have identified lines of both species in the IRAM 30 m line survey and in the ALMA Science Verification data. We have obtained ALMA maps to establish the spatial distribution of these species. Whereas tEME mainly arises from the compact ridge component of Orion, Gt-n-propanol appears at the emission peak of ethanol (south hot core). The derived column densities of these species at the location of their emission peaks are ≤(4.0 ± 0.8) × 1015 cm−2 and ≤(1.0 ± 0.2)× 1015 cm−2 for tEME and Gt-n-propanol, respectively. The rotational temperature is ~100 K for both molecules. We also provide maps of CH3OCOH, CH3CH2OCOH, CH3OCH3, CH3OH, and CH3CH2OH to compare the distribution of these organic saturated O-bearing species containing methyl and ethyl groups in this region. Abundance ratios of related species and upper limits to the abundances of non-detected ethers are provided. We derive an abundance ratio N(CH3OCH3)/N(tEME) ≥ 150 in the compact ridge of Orion. PMID:26869726

  7. Microstructure determination of 2-hydroxy ethyl methacrylate and methyl acrylate copolymers by NMR spectroscopy

    Science.gov (United States)

    Brar, A. S.; Hooda, Sunita; Goyal, Ashok Kumar

    2007-02-01

    Copolymers of 2-Hydroxy ethyl methacrylate and methyl acrylate (H/M) of different compositions were synthesized by free radical bulk polymerization using azobisisobutyronitrile (AIBN) as an initiator under nitrogen atmosphere. The copolymers compositions were calculated from 1H NMR spectra. The reactivity ratios for H/M copolymers obtained from a linear Kelen-Tudos method (KT) and nonlinear error-in-variables method (EVM) are rH = 3.31 ± 0.08, rM = 0.23 ± 0.00 and rH = 3.32, rM = 0.23, respectively. The complete spectral assignment of methine, methylene, methyl and carbonyl carbon regions in terms of compositional and configurational sequences of H/M copolymers was done with the help of 13C{ 1H} NMR, distortionless enhancement by polarization transfer (DEPT), two-dimensional heteronuclear single quantum coherence (HSQC) along with total correlated spectroscopy (TOCSY). Further, the assignments of carbonyl region were made with the help of heteronuclear multiple bond coherence (HMBC) spectrum.

  8. CCSD(T) study of the far-infrared spectrum of ethyl methyl ether.

    Science.gov (United States)

    Senent, M L; Ruiz, R; Villa, M; Domínguez-Gómez, R

    2009-02-14

    Band positions and intensities for the far-infrared bands of ethyl methyl ether are variationally determined from a three-dimensional (3D) potential energy surface calculated with CCSD(T)/cc-pVTZ theory. For this purpose, the energies of 181 selected geometries computed optimizing 3n-9 parameters are fitted to a 3D Fourier series depending on three torsional coordinates. The zero point vibrational energy correction and the search of a correct definition of the methyl torsional coordinate are taken into consideration for obtaining very accurate frequencies. In addition, second order perturbation theory is applied on the two molecular conformers, trans and cis-gauche, in order to test the validity of the 3D model. Consequently, a new assignment of previous experimental bands, congruent with the new ab initio results, is proposed. For the most stable trans-conformer, the nu(30), nu(29), and nu(28) fundamental transitions, computed at 115.3, 206.5, and 255.2 cm(-1), are correlated with the observed bands at 115.4, 202, and 248 cm(-1). For the cis-gauche the three band positions are computed at 91.0, 192.5, and 243.8 cm(-1). Calculations on the -d(3) isotopomer confirm our assignment. Intensities are determined at room temperature and at 10 K. Structural parameters, potential energy barriers, anharmonic frequencies for the 3n-9 neglected modes, and rotational parameters (rotational and centrifugal distortion constants), are also provided.

  9. STABILITY OF EMULSIFIER-FREE EMULSION COPOLYMERIZATION OF METHYL METHACRYLATE/ BUTYL ACRYLATE/SODIUM MONO(ETHYL POLYOXYETHYLENE) MALEATE

    Institute of Scientific and Technical Information of China (English)

    Mao-gen Zhang; Zhi-xue Weng; Zhi-ming Huang; Zu-ren Pan

    1999-01-01

    A series of new water-soluble bifunctional comonomers having both carboxyl and alkyl polyoxyethylene groups, such as sodium mono(ethyl polyoxyethylene) maleate (ZE series) with various molecular weights of polyoxyethylene ethyl ether, were synthesized and characterized. The effects of the structural factor, the amount and feeding mode of the comonomers, the initiator concentration and polymerization temperature on the stability of emulsifier-free emulsion copolymerization of methyl methacrylate (MMA) and butyl acrylate (BA) in the presence of a small amount of ZE with potassium persulfate as initiator were investigated. Stable, almost monodispersed MMA/BA/ZE emulsifier-free latex particles were prepared.

  10. Neurotoxicity associated with occupational exposure to acetone, methyl ethyl ketone, and cyclohexanone.

    Science.gov (United States)

    Mitran, E; Callender, T; Orha, B; Dragnea, P; Botezatu, G

    1997-01-01

    The neurotoxic effects of acetone, methyl ethyl ketone (MEK), and cyclohexanone on Romanian workers and the impact of those effects on industry environmental standards have been controversial subjects. To scientifically substantiate the standards, a study was conducted on three groups of workers to determine the changes induced by ketone solvents on the central and peripheral nervous systems. Groups of exposed workers and matched controls were studied for each solvent: acetone, 71 exposed and 86 controls from a coin printing factory; MEK, 41 exposed and 63 controls from a cable factory; and cyclohexanone, 75 exposed and 85 controls from a furniture factory. The subjects' mean age was 36 years. The mean length of exposure was 14 years. Study participants completed a questionnaire, responded to questions about alcohol consumption, submitted to a clinical examination, submitted samples for identification of biological exposure markers, and underwent motor nerve conduction velocity and neurobehavioral tests. Results showed that workers exposed to acetone were most affected in terms of human performance and evidence of neurotoxicity, followed by workers exposed to MEK and workers exposed to cyclohexanone. On the basis of the results, it was proposed that the 6-hr permissible exposure limits for acetone, MEK, and cyclohexanone be reduced to less than 500, 200, and 150 mg/m3, respectively.

  11. Environmental chamber study of the photochemical reaction of ethyl methyl sulfide and NOx

    Institute of Scientific and Technical Information of China (English)

    WANG Kun; DU Lin; GE Maofa

    2009-01-01

    A series of experiments were conducted in a self-made smog chamber at 300 ± 1 K and 1.01×105 Pa to simulate the photochemical reaction of ethyl methyl sulfide (EMS) and NOx. The results show that the higher the initial concentration of EMS, the more ozone is generated in the simulative reactions. It is found that the light intensity plays a very important role in the evaluation of ozone formation potential for EMS. The parameters of d(O3-NO) and IR (incremental reactivity) were used to quantify the potential of EMS on ozone formation. The obtained maximum IR values in this paper for the five simulative reactions were 1.55×10-2, 0.99×10-2, 1.36×10-2, 2.47×10-2, and 1.65×10-2, respectively. Comparison between the results we obtained here and the results we obtained before for di-tert-butyl peroxide and acetylene was made and it showed that the potential reactivity of EMS on ozone formation is at a relatively low level.

  12. Assessment of microbial populations in methyl ethyl ketone degrading biofilters by denaturing gradient gel electrophoresis.

    Science.gov (United States)

    Li, C; Moe, W M

    2004-05-01

    Denaturing gradient gel electrophoresis (DGGE) analysis of polymerase chain reaction-amplified genes coding for 16S rRNA was used to assess differences in bacterial community structure as a function of spatial location along the height of two biofilters used to treat a model waste gas stream containing methyl ethyl ketone (MEK). One of the laboratory-scale biofilters was operated as a conventional continuous-flow biofilter (CFB) and the other was operated as a sequencing batch biofilter (SBB). Both biofilters, inoculated with an identical starting culture and operated over a period lasting more than 300 days, received the same influent MEK concentration and same mass of MEK on a daily basis. The systems differed, however, in terms of the fraction of time during which contaminated air was supplied and the overall operating strategy employed. DGGE analysis indicated that microbial community structures differed as a function of height in each of the biofilters. The DGGE banding patterns also differed between the two biofilters, suggesting that operating strategies imposed on the biofilters imparted a sufficiently large selective pressure to influence microbial community structures. This may explain, in part, the superior performance of the SBB over the CFB during model transient loading conditions, and it may open new possibilities for purposely manipulating the microbial populations in biofilters treating gas-phase contaminants in a manner that leads to more favorable treatment performance.

  13. CCSD(T) study of the infrared spectrum of ethyl-methyl-ether isotopic varieties

    Energy Technology Data Exchange (ETDEWEB)

    Senent, M.L., E-mail: senent@iem.cfmac.csic.es [Departamento de Astrofisica Molecular e Infrarroja, Instituto de Estructura de la Materia, C.S.I.C., Serrano 121, Madrid 28006 (Spain); Ruiz, R. [Departamento de Quimica, Universidad de Burgos, Departamento de Quimica, Plaza Misael Banuelos s/n, 09001 Burgos (Spain); Villa, M. [Departamento de Quimica, UAM-I Purisima y Michoacan, s/n, CP 09340, Mexico D.F. (Mexico); Dominguez-Gomez, R. [Departamento de Ingenieria Civil, Catedra de Quimica, E.U.I.T. Obras Publicas, Universidad Politecnica de Madrid (Spain)

    2010-02-18

    Band positions for the infrared bands of various ethyl-methyl-ether isotopomers (CH{sub 3}CH{sub 2}OCH{sub 2}D, CH{sub 2}DCH{sub 2}OCH{sub 3}, CH{sub 3}CH{sub 2}OCD{sub 3}, CD{sub 3}CH{sub 2}OCH{sub 3}, CH{sub 3}CD{sub 2}OCH{sub 3}, CH{sub 3}CH{sub 2}O{sup 13}CH{sub 3}, {sup 13}CH{sub 3}CH{sub 2}OCH{sub 3}, and CH{sub 3}{sup 13}CH{sub 2}OCH{sub 3}) are determined using second order perturbation theory. For species showing G{sub 18} symmetry, band position are calculated variationally from a CCSD(T)/cc-pVTZ three-dimensional potential energy surface corrected vibrationally. Potential energy barriers, fundamental frequencies, and rotational constants for excited vibrational levels, are also provided. Calculated frequencies for CH{sub 3}CH{sub 2}OCD{sub 3} confirm experimental assignments and our predictions for the most abundant isotopomer .

  14. Atmospheric mixing ratios of methyl ethyl ketone (2-butanone) in tropical, boreal, temperate and marine environments

    Science.gov (United States)

    Yáñez-Serrano, A. M.; Nölscher, A. C.; Bourtsoukidis, E.; Derstroff, B.; Zannoni, N.; Gros, V.; Lanza, M.; Brito, J.; Noe, S. M.; House, E.; Hewitt, C. N.; Langford, B.; Nemitz, E.; Behrendt, T.; Williams, J.; Artaxo, P.; Andreae, M. O.; Kesselmeier, J.

    2016-09-01

    Methyl ethyl ketone (MEK) enters the atmosphere following direct emission from vegetation and anthropogenic activities, as well as being produced by the gas-phase oxidation of volatile organic compounds (VOCs) such as n-butane. This study presents the first overview of ambient MEK measurements at six different locations, characteristic of forested, urban and marine environments. In order to understand better the occurrence and behaviour of MEK in the atmosphere, we analyse diel cycles of MEK mixing ratios, vertical profiles, ecosystem flux data, and HYSPLIT back trajectories, and compare with co-measured VOCs. MEK measurements were primarily conducted with proton-transfer-reaction mass spectrometer (PTR-MS) instruments. Results from the sites under biogenic influence demonstrate that vegetation is an important source of MEK. The diel cycle of MEK follows that of ambient temperature and the forest structure plays an important role in air mixing. At such sites, a high correlation of MEK with acetone was observed (e.g. r2 = 0.96 for the SMEAR Estonia site in a remote hemiboreal forest in Tartumaa, Estonia, and r2 = 0.89 at the ATTO pristine tropical rainforest site in central Amazonia). Under polluted conditions, we observed strongly enhanced MEK mixing ratios. Overall, the MEK mixing ratios and flux data presented here indicate that both biogenic and anthropogenic sources contribute to its occurrence in the global atmosphere.

  15. Leaf uptake of methyl ethyl ketone and croton aldehyde by Castanopsis sieboldii and Viburnum odoratissimum saplings

    Science.gov (United States)

    Tani, Akira; Tobe, Seita; Shimizu, Sachie

    2013-05-01

    Methyl ethyl ketone (MEK) is an abundant ketone in the urban atmosphere and croton aldehyde (CA) is a strong irritant to eye, nose, and throat. The use of plants able to absorb these compounds is one suggested mitigation method. In order to investigate this method, we determined the uptake rate of these compounds by leaves of two tree species, Castanopsis sieboldii and Viburnum odoratissimum var. awabuki. Using a flow-through chamber method, we found that these species were capable of absorbing both compounds. We also confirmed that the uptake rate of these compounds normalized to the fumigated concentration (AN) was higher at higher light intensities and that there was a linear relationship between AN and stomatal conductance (gS) for both tree species. In concentration-varying experiments, the uptake of MEK and CA seemed to be restricted by partitioning of MEK between leaf water and air. The ratio of the intercellular VOC concentration (Ci) to the fumigated concentration (Ca) for CA was zero, and the ratio ranged from 0.63 to 0.76 for MEK. The more efficient CA uptake ability may be the result of higher partitioning of CA into leaf water. Our present and previous results also suggest that plant MEK uptake ability was different across plant species, depending on the VOC conversion speed inside leaves.

  16. Inhalation developmental toxicology studies: Teratology study of methyl ethyl ketone in mice: Final report

    Energy Technology Data Exchange (ETDEWEB)

    Mast, T.J.; Dill, J.A.; Evanoff, J.J.; Rommereim, R.L.; Weigel, R.J.; Westerberg, R.B.

    1989-02-01

    Methyl ethyl ketone (MEK) is a widely used industrial solvent which results in considerable human exposure. In order to assess the potential for MEK to cause developmental toxicity in rodents, four groups of Swiss (CD-1) mice were exposed to 0, 400, 1000 or 3000 ppM MEK vapors, 7 h/day, 7 dy/wk. Ten virgin females and approx.30 plug-positive females per group were exposed concurrently for 10 consecutive days (6--15 dg for mated mice). Body weights were obtained throughout the study period, and uterine and fetal body weights were obtained at sacrifice on 18 dg. Uterine implants were enumerated and their status recorded. Live fetuses were sexed and examined for gross, visceral, skeletal, and soft-tissue craniofacial defects. Exposure of pregnant mice to these concentrations of MEK did not result in apparent maternal toxicity, although there was a slight, treatment-correlated increase in liver to body weight ratios which was significant for the 3000-ppM group. Mild developmental toxicity was evident at 3000-ppM as a reduction in mean fetal body weight. This reduction was statistically significant for the males only, although the relative decrease in mean fetal body weight was the same for both sexes. 17 refs., 4 figs., 10 tabs.

  17. Broadband dynamics in neat 4-methyl-3-heptanol and in mixtures with 2-ethyl-1-hexanol

    Science.gov (United States)

    Bauer, S.; Wittkamp, H.; Schildmann, S.; Frey, M.; Hiller, W.; Hecksher, T.; Olsen, N. B.; Gainaru, C.; Böhmer, R.

    2013-10-01

    The relatively small dielectric Debye-like process of the monohydroxy alcohol 4-methyl-3-heptanol (4M3H) was found to depend slightly on the intramolecular conformation. Proton and deuteron nuclear magnetic resonance demonstrate that the hydroxyl dynamics and the overall molecular dynamics take place on similar time scales in contrast to the situation for the structural isomer 2-ethyl-1-hexanol (2E1H) [S. Schildmann et al., J. Chem. Phys. 135, 174511 (2011)]. This indicates a very weak decoupling of Debye-like and structural relaxation which was further probed using volume expansivity experiments. Shear viscosity as well as diffusometry measurements were performed and the data were analyzed in terms of the Debye-Stokes-Einstein equations. In mixtures of 4M3H with 2E1H the Debye-like process becomes much stronger and for 2E1H mole fraction of more than 25% the behavior of this alcohol is rapidly approached. This finding is interpreted to indicate that the ring-like supramolecular structures in 4M3H become energetically unfavorable when adding 2E1H, an alcohol that tends to form chain-like molecular aggregates. The concentration dependence of the Kirkwood factor in these mixtures displays a high degree of similarity with experimental results on monohydroxy alcohols in which the pressure or the location of the OH group within the molecular structure is varied.

  18. Anti-inflammatory activity of methyl palmitate and ethyl palmitate in different experimental rat models

    Energy Technology Data Exchange (ETDEWEB)

    Saeed, Noha M. [Department of Pharmacology and Toxicology, Faculty of Pharmacy, Egyptian Russian University, Cairo (Egypt); El-Demerdash, Ebtehal [Department of Pharmacology and Toxicology, Faculty of Pharmacy, Ain Shams University, Cairo (Egypt); Abdel-Rahman, Hanaa M. [Department of Pharmacology and Toxicology, Faculty of Pharmacy, Egyptian Russian University, Cairo (Egypt); Algandaby, Mardi M. [Department of Biology (Botany), Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Al-Abbasi, Fahad A. [Department of Biochemistry, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Abdel-Naim, Ashraf B., E-mail: abnaim@pharma.asu.edu.eg [Department of Pharmacology and Toxicology, Faculty of Pharmacy, Ain Shams University, Cairo (Egypt)

    2012-10-01

    Methyl palmitate (MP) and ethyl palmitate (EP) are naturally occurring fatty acid esters reported as inflammatory cell inhibitors. In the current study, the potential anti-inflammatory activity of MP and EP was evaluated in different experimental rat models. Results showed that MP and EP caused reduction of carrageenan-induced rat paw edema in addition to diminishing prostaglandin E2 (PGE2) level in the inflammatory exudates. In lipopolysaccharide (LPS)-induced endotoxemia in rats, MP and EP reduced plasma levels of tumor necrosis factor-α (TNF-α) and interleukin-6 (IL-6). MP and EP decreased NF-κB expression in liver and lung tissues and ameliorated histopathological changes caused by LPS. Topical application of MP and EP reduced ear edema induced by croton oil in rats. In the same animal model, MP and EP reduced neutrophil infiltration, as indicated by decreased myeloperoxidase (MPO) activity. In conclusion, this study demonstrates the effectiveness of MP and EP in combating inflammation in several experimental models. -- Highlights: ► Efficacy of MP and EP in combating inflammation was displayed in several models. ► MP and EP reduced carrageenan-induced rat paw edema and prostaglandin E2 level. ► MP and EP decreased TNF-α and IL-6 levels in experimental endotoxemia. ► MP and EP reduced NF-κB expression and histological changes in rat liver and lung. ► MP and EP reduced croton oil-induced ear edema and neutrophil infiltration.

  19. Micellization of quaternized poly(2-(dimethylamino)ethyl methacrylate)-block-poly(methyl methacrylate) copolymers in water

    OpenAIRE

    2001-01-01

    Micellization of a series of amphiphilic quaternized poly(2-(dimethylamino)ethyl methacrylate)-block-poly(methyl methacrylate) (PQDMAEMA-b-PMMA) copolymers has been studied in water. The alkyl halide used for the quaternization of the aminated block has an effect on the solution properties of the diblocks, that have been investigated by dynamic light scattering and surface tension measurements. When a short length alkyl halide is used, the diblock copolymers behave like traditional amphiphile...

  20. 4-Hydroxy-3-methyl-6-phenylbenzofuran-2-carboxylic acid ethyl ester derivatives as potent anti-tumor agents.

    Science.gov (United States)

    Hayakawa, Ichiro; Shioya, Rieko; Agatsuma, Toshinori; Furukawa, Hidehiko; Naruto, Shunji; Sugano, Yuichi

    2004-01-19

    Based on the structure of 4-hydroxy-3-methyl-6-phenylbenzofuran-2-carboxylic acid ethyl ester (1), which exhibits selective cytotoxicity against a tumorigenic cell line, (2,4-dimethoxyphenyl)-(4-hydroxy-3-methyl-6-phenylbenzofuran-2-yl)-methanone (18m) was designed and synthesized as a biologically stable derivative containing no ester group. Although the potency of 18m was almost the same as our initial hit compound 1, 18m is expected to last longer in the human body as an anticancer agent.

  1. Design and characterization of an adhesive matrix based on a poly(ethyl acrylate, methyl methacrylate).

    Science.gov (United States)

    Cilurzo, Francesco; Minghetti, Paola; Pagani, Stefania; Casiraghi, Antonella; Montanari, Luisa

    2008-01-01

    The main issue in the development of transdermal patches made of poly(ethyl acrylate, methyl methacrylate) (Eudragit NE 40D, PMM) is the shrinkage phenomenon during the spreading of the latex onto the release liner. To solve this problem, the latex is usually freeze-dried and then re-dissolved in an organic solvent (method 1). To simplify the production process, we prepared an adhesive matrix by adding to the commercial PMM latex a plasticizer and an additive (anti-shrinkage agent) that avoids the shrinkage of the water dispersion spread onto the release liner (method 2). In some cases the active ingredient itself, such as potassium diclofenac (DK) and nicotine (NT), works as anti-shrinkage agent. In this work, the effects of the preparation method, types and concentrations of the plasticizer (triacetin and tributyl citrate) on the adhesive properties of the transdermal patches were investigated. The adhesive properties of the prepared patch were determined by texture analysis, peel adhesion test and shear adhesion. The PMM/plasticizer interactions were evaluated by ATR-FTIR spectroscopy. Furthermore, the in vitro skin permeation profiles of DK and NT released from the patch were determined by Franz cell method. Generally speaking, the variables that mainly modify the adhesive properties are the concentration and type of the plasticizer. The skin permeation profiles of DK and NT from the patch prepared by method 2 overlapped with those obtained with the commercial products. The results underline that the PMM latex can be used conveniently in the development of transdermal patches.

  2. Physiological and biochemical effects of allelochemical ethyl 2-methyl acetoacetate (EMA) on cyanobacterium Microcystis aeruginosa.

    Science.gov (United States)

    Hong, Yu; Hu, Hong-Ying; Li, Feng-Min

    2008-10-01

    The physiological and biochemical effects of an allelochemical ethyl 2-methyl acetoacetate (EMA) isolated from reed (Phragmites communis) on bloom-forming cyanobacterium, Microcystis aeruginosa, were investigated. EMA significantly inhibited the growth of M. aeruginosa in a concentration-dependent way. The metabolic indices (represented by esterase and total dehydrogenase activities), the cellular redox status (represented by the level of reactive oxygen species (ROS)), and the oxidative damage index (represented by the content of malondialdehyde (MDA), the product of membrane lipid peroxidation) were used to evaluate the physiological and biochemical changes in M. aeruginosa after EMA exposure. Esterase activity in M. aeruginosa did not change (P>0.05) after 2 h of exposure to EMA, but increased greatly after 24 and 48 h (PEMA exposure (>0.5 mg L(-1)) resulted in a remarkable loss of total dehydrogenase activity in M. aeruginosa after 4 h (PEMA caused a great increase in ROS level of the algal cells. At high EMA concentration (4 mg L(-1)), the ROS level was remarkably elevated to 1.91 times as much as that in the controls after 2 h. Increases in the ROS level also occurred after 24 and 48 h. The increase in lipid peroxidation of M. aeruginosa was dependent upon EMA concentration and the exposure time. After 40 h of exposure, the MDA content at 4 mg L(-1) of EMA reached approximately 3.5 times (PEMA; the increased metabolic activity perhaps reflects the fact that the resistance of cellular response system to the stress from EMA is initiated during EMA exposure, and the oxidative damage induced by EMA via the oxidation of ROS may be an important factor responsible for the inhibition of EMA on the growth of M. aeruginosa.

  3. Developmental toxicity studies of methyl ethyl ketoxime (MEKO) in rats and rabbits.

    Science.gov (United States)

    Derelanko, Michael J; Rinehart, William E; Rodwell, Dean E

    2003-08-01

    The developmental toxicity of methyl ethyl ketoxime (MEKO), an industrial antioxidant used primarily as an antiskinning agent in alkyd paint, was investigated in rats and rabbits. Following preliminary dose range finding studies, groups of 25 pregnant rats or 18 pregnant rabbits were dosed by gavage with aqueous solutions of MEKO at 0, 60, 200, or 600 mg/kg (rats) or 0, 8, 14, 24, or 40 mg/kg (rabbits) on gestation days 6-15 or 6-18, respectively. In rats, dose-dependent clinical signs of maternal toxicity including reduced body weight gains were noted at 200 and 600 mg/kg. At 60 mg/kg and above enlarged spleens were observed at necropsy. The preliminary study found methemoglobin formation and reticulocytosis indicative of anemia at these dose levels. No treatment-related gestational effects, malformations or developmental variations were observed in the rats. In rabbits, 3 females aborted and 8 females were found dead at 40 mg/kg between gestation days 11 and 24. Clinical signs of maternal toxicity were present in surviving doses at this dose level. Body weight gains were reduced at 24 and 40 mg/kg. The preliminary study indicated maternal hematological effects in the rabbits similar to the rats at dose levels as low as 10 mg/kg. MEKO was not considered to have produced any treatment-related gestational effects, malformations or developmental variations in the rabbit at dose levels at or below 24 mg/kg. Because of excessive maternal mortality and abortions at the 40 mg/kg dose level, only 6 rabbits produced litters. The severe maternal toxicity and limited number of litters precluded a full assessment of developmental toxicity at 40 mg/kg. Nonetheless, MEKO did not appear to be teratogenic to the rabbit at this dose level.

  4. Brahmarasayana protects against Ethyl methanesulfonate or Methyl methanesulfonate induced chromosomal aberrations in mouse bone marrow cells

    Directory of Open Access Journals (Sweden)

    Guruprasad Kanive

    2012-08-01

    Full Text Available Abstract Background Ayurveda, the traditional Indian system of medicine has given great emphasis to the promotion of health. Rasayana is one of the eight branches of Ayurveda which refers to rejuvenant therapy. It has been reported that rasayanas have immuno-modulatory, antioxidant and antitumor functions, however, the genotoxic potential and modulation of DNA repair of many rasayanas have not been evaluated. Methods The present study assessed the role of Brahmarasayana (BR on Ethyl methanesulfonate (EMS-and Methyl methanesulfonate (MMS-induced genotoxicity and DNA repair in in vivo mouse test system. The mice were orally fed with BR (5 g or 8 mg / day for two months and 24 h later EMS or MMS was given intraperitoneally. The genotoxicity was analyzed by chromosomal aberrations, sperm count, and sperm abnormalities. Results The results have revealed that BR did not induce significant chromosomal aberrations when compared to that of the control animals (p >0.05. On the other hand, the frequencies of chromosomal aberrations induced by EMS (240 mg / kg body weight or MMS (125 mg / kg body weight were significantly higher (p Conclusion The effect of BR, as it relates to antioxidant activity was not evident in liver tissue however rasayana treatment was observed to increase constitutive DNA base excision repair and reduce clastogenicity. Whilst, the molecular mechanisms of such repair need further exploration, this is the first report to demonstrate these effects and provides further evidence for the role of brahmarasayana in the possible improvement of quality of life.

  5. In vitro dermal absorption of methyl salicylate, ethyl parathion, and malathion: first responder safety.

    Science.gov (United States)

    Moody, Richard P; Akram, Mohammed; Dickson, Eva; Chu, Ih

    2007-06-01

    In vitro tests with fresh dermatomed (0.3 to 0.4 mm thick) female breast skin and one leg skin specimen were conducted in Bronaugh flow-through Teflon diffusion cells with three chemicals used to simulate chemical warfare agents: 14C-radiolabeled methyl salicylate (MES), ethyl parathion (PT), and malathion (MT), at three dose levels (2, 20, and 200 mM). Tests were conducted at a skin temperature of 29 degrees C using a brief 30-min exposure to the chemical and a 6.5-h receivor collection period. Rapid absorption of all three chemicals was observed, with MES absorbed about 10-fold faster than PT and MT. For MES, PT, and MT, respectively, there was 32%, 7%, and 12% absorption into the receivor solution (Hank's HEPES buffered saline with 4% bovine serum albumin [BSA], pH 7.4) at the low dose (2 mM), 17%, 2%, and 3% at the medium dose (20 mM), and 11%, 1%, and 1% at the high dose (200 mM) levels. Including the skin depot for MES, PT, and MT, respectively, there was 40%, 41%, and 21% (low dose), 26%, 16%, and 8% (medium dose), and 13%, 19%, and 10% (high does) absorption. Efficacy of skin soap washing conducted at the 30 min exposure time ranged from 31% to 86%, varying by chemical and dose level. Skin depot levels were highest for the relatively lipophilic PT. "Pseudo" skin permeability coefficient (K(p)) data declined with dose level, suggesting skin saturation had occurred. An in-depth comparison with literature data was conducted and risk assessment of first responder exposure was briefly considered.

  6. Li-Ion Cells Employing Electrolytes With Methyl Propionate and Ethyl Butyrate Co-Solvents

    Science.gov (United States)

    Smart, Marshall C.; Bugga, Ratnakumar V.

    2011-01-01

    Future NASA missions aimed at exploring Mars and the outer planets require rechargeable batteries that can operate at low temperatures to satisfy the requirements of such applications as landers, rovers, and penetrators. A number of terrestrial applications, such as hybrid electric vehicles (HEVs) and electric vehicles (EVs) also require energy storage devices that can operate over a wide temperature range (i.e., -40 to +70 C), while still providing high power capability and long life. Currently, the state-of-the-art lithium-ion system has been demonstrated to operate over a wide range of temperatures (-30 to +40 C); however, the rate capability at the lower temperatures is very poor. These limitations at very low temperatures are due to poor electrolyte conductivity, poor lithium intercalation kinetics over the electrode surface layers, and poor ionic diffusion in the electrode bulk. Two wide-operating-temperature-range electrolytes have been developed based on advances involving lithium hexafluorophosphate-based solutions in carbonate and carbonate + ester solvent blends, which have been further optimized in the context of the technology and targeted applications. The approaches employed include further optimization of electrolytes containing methyl propionate (MP) and ethyl butyrate (EB), which are effective co-solvents, to widen the operating temperature range beyond the baseline systems. Attention was focused on further optimizing ester-based electrolyte formulations that have exhibited the best performance at temperatures ranging from -60 to +60 C, with an emphasis upon improving the rate capability at -20 to -40 C. This was accomplished by increasing electrolyte salt concentration to 1.20M and increasing the ester content to 60 percent by volume to increase the ionic conductivity at low temperatures. Two JPL-developed electrolytes 1.20M LiPF6 in EC+EMC+MP (20:20:60 v/v %) and 1.20M LiPF6 in EC+EMC+EB (20:20:60 v/v %) operate effectively over a wide

  7. 1-Ethyl-2-phenyl-3-[2-(tri-methyl-sil-yl)ethyn-yl]-1H-indole.

    Science.gov (United States)

    Baglai, Iaroslav; Maraval, Valérie; Duhayon, Carine; Chauvin, Remi

    2013-06-01

    The title compound, C21H23NSi, was synthesized by Sonogashira-type reaction of 1-ethyl-3-iodo-2-phenyl-1H-indole with tri-methyl-silyl-acetyl-ene. The indole ring system is nearly planar [maximum atomic deviation = 0.0244 (15) Å] and is oriented at a dihedral angle of 51.48 (4)° with respect to the phenyl ring. The supramolecular aggregation is completed by weak C-H⋯π inter-actions of the methylene and phenyl groups with the benzene and pyrrole rings of the indole ring system. The methyl groups of the tri-methyl-silyl unit are equally disordered over two sets of sites.

  8. Potencial de uso dos herbicidas chlorimuron-ethyl, imazethapyr e cloransulam-methyl na cultura do feijão Potential use of chlorimuron-ethyl, imazethapyr and cloransulam-methyl in common bean crop

    Directory of Open Access Journals (Sweden)

    S.O. Procopio

    2009-06-01

    Full Text Available O objetivo deste trabalho foi avaliar a seletividade dos herbicidas chlorimuron-ethyl, imazethapyr e cloransulam-methyl, aplicados em associação com o herbicida fomesafen, a dez cultivares de feijão. O experimento foi conduzido no município de Rio Verde-GO, no plantio das águas, na safra de 2005/2006. O delineamento experimental utilizado foi de blocos ao acaso, em parcelas subdivididas, com três repetições, sendo o fator da parcela principal os tratamentos com herbicidas [fomesafen (225 g ha-1 ; fomesafen (225 g ha-1 + chlorimuron-ethyl (7,5 g ha-1 ; fomesafen (225 g ha-1 + imazethapyr (50 g ha-1; fomesafen (225 g ha-1 + cloransulam-methyl (30,24 g ha-1; e testemunha sem herbicida]; e o da subparcela, os cultivares (BRS Grafite, BRS Horizonte, Pérola, BRS Pitanga, BRS Pontal, BRS Requinte, BRS Supremo, BRS Timbó, BRS Valente e BRS Vereda. As parcelas foram mantidas capinadas, para que não houvesse interferência das plantas daninhas. Os tratamentos com herbicidas foram fitotóxicos; todavia, de forma geral, os sintomas mais severos foram verificados no tratamento que continha chlorimuron-ethyl. A associação de fomesafen com chlorimuron-ethyl provocou as maiores reduções na altura das plantas e no acúmulo de massa da parte aérea das plantas secas, além de prolongar o ciclo de maturação de todos os cultivares. A aplicação isolada de fomesafen reduziu a produtividade de grãos dos cultivares BRS Timbó e BRS Vereda. Quando se adicionou o imazethapyr ao fomesafen, observou-se redução na produtividade dos cultivares BRS Supremo, BRS Timbó e BRS Vereda. A adição de cloransulam-methyl, além de reduzir a produtividade desses três cultivares, também diminuiu a produtividade do cultivar BRS Requinte. Os cultivares Pérola, BRS Pitanga, BRS Pontal e BRS Valente não tiveram suas produtividades reduzidas pela mistura chlorimuron-ethyl + fomesafen. O imazethapyr mostrou potencial para ser utilizado na cultura do feij

  9. A critical comparison of methyl and ethyl esters production from soybean and rice bran oil in the presence of microwaves.

    Science.gov (United States)

    Kanitkar, Akanksha; Balasubramanian, Sundar; Lima, Marybeth; Boldor, Dorin

    2011-09-01

    Transesterification of vegetable oils (from soybeans and rice bran) into methyl and ethyl esters using a batch microwave system was investigated in this study. A critical comparison between the two alcohols was performed in terms of yields, quality, and reaction kinetics. Parameters tested were temperature (60, 70 and 80°C) and time (5, 10, 15 and 20 min). At all tested conditions, more than 96% conversion rates were obtained for both ethanol and methanol. Use of microwave technology to assist the transesterification process resulted in faster reaction times and reduced catalyst requirement (about ten-fold decrease). Methanol required lower alcohol:oil ratios than normally used in conventional heating, whereas ethanol required higher molar ratios. All esters produced using this method met ASTM biodiesel quality specifications. Methanol performed better in terms of performance and costs, while ethanol may have some environmental and safety benefits.

  10. ETBE (ethyl tert butyl ether) and TAME (tert amyl methyl ether) affect microbial community structure and function in soils.

    Science.gov (United States)

    Bartling, Johanna; Esperschütz, Jürgen; Wilke, Berndt-Michael; Schloter, Michael

    2011-03-15

    Ethyl tert butyl ether (ETBE) and tert amyl methyl ether (TAME) are oxygenates used in gasoline in order to reduce emissions from vehicles. The present study investigated their impact on a soil microflora that never was exposed to any contamination before. Therefore, soil was artificially contaminated and incubated over 6 weeks. Substrate induced respiration (SIR) measurements and phospholipid fatty acid (PLFA) analysis indicated shifts in both, microbial function and structure during incubation. The results showed an activation of microbial respiration in the presence of ETBE and TAME, suggesting biodegradation by the microflora. Furthermore, PLFA concentrations decreased in the presence of ETBE and TAME and Gram-positive bacteria became more dominant in the microbial community.

  11. Efficacy of scalp hair decontamination following exposure to vapours of sulphur mustard simulants 2-chloroethyl ethyl sulphide and methyl salicylate.

    Science.gov (United States)

    Spiandore, Marie; Piram, Anne; Lacoste, Alexandre; Prevost, Philippe; Maloni, Pascal; Torre, Franck; Asia, Laurence; Josse, Denis; Doumenq, Pierre

    2017-04-01

    Chemical warfare agents are an actual threat and victims' decontamination is a main concern when mass exposure occurs. Skin decontamination with current protocols has been widely documented, as well as surface decontamination. However, considering hair ability to trap chemicals in vapour phase, we investigated hair decontamination after exposure to sulphur mustard simulants methyl salicylate and 2-chloroethyl ethyl sulphide. Four decontamination protocols were tested on hair, combining showering and emergency decontamination (use of Fuller's earth or Reactive Skin Decontamination Lotion RSDL(®)). Both simulants were recovered from hair after treatment, but contents were significantly reduced (42-85% content allowance). Showering alone was the least efficient protocol. Concerning 2-chloroethyl ethyl sulphide, protocols did not display significant differences in decontamination efficacy. For MeS, use of emergency decontaminants significantly increased showering efficacy (10-20% rise), underlining their usefulness before thorough decontamination. Our results highlighted the need to extensively decontaminate hair after chemical exposure. Residual amounts after decontamination are challenging, as their release from hair could lead to health issues. Copyright © 2016. Published by Elsevier B.V.

  12. Theoretical Study on Ionic Liquid Based on 1-Ethyl-3-Methyl- Imidazolium Cation and Hexafluorophosphate or Tetrafluoroborate

    Institute of Scientific and Technical Information of China (English)

    Renqing Lü; Zuogang Cao; Guoping Shen

    2007-01-01

    The Hartree-Fock and DFT/B3LYP methods have been employed to investigate the electronic structures of l-ethyl-3-methyl-imidazolium cation (EMIM+), BF-4 , PF-6, EMIM+-BF-4, and EMIM+-PF6-using the Gaussian-94 soft-package at 6-31+G(d,p) basis set level for hydrogen, carbon, nitrogen, boron, phosphorus, and fluorine atoms. Comparison of the electronic structures of the lowest energy of EMIM+-BF4- and EMIM+-PF6- pairs, and single EMIM+, BF-4 and PF-6 showed that the optimized EMIM+-BF-4 and EMIM+-PF-6 pair conformers were BF-4 and PF-6 outside the 5-ring plane between the ethyl group and the methyl group. The cohesion of C-H…F hydrogen bond between cation and anion is reinforced by charge assistance. The interaction energy between EMIM+ and PF-6 is 328.8 kJ/mol at the B3LYP level and 326.6 kj/mol at the Hartree-Fock level, whereas that between EMIM+ and BFJ is 353.5 kj/mol at the B3LYP level and 350.5 kj/mol at the Hartree-Fock level. The low energy interactions caused by bulky asymmetric EMIM+, and charge dispersion of cation and anion give rise to the low melting point of ionic liquid EMIM+-BF-4 and EMIM+-PF-6. The two hydrogen bonding models of single hydrogen bond formation, and the hydrogen transfer between C2 in EMIM+ and F in BF-4 or PF-6 were principally depicted.

  13. Ethyl (E-3-(6-methyl-4-oxo-4H-chromen-3-ylprop-2-enoate

    Directory of Open Access Journals (Sweden)

    Sammer Yousuf

    2012-10-01

    Full Text Available In the title compound, C15H14O4, the chromone ring system is close to being planar [maximum deviation = 0.015 (2 Å]. The double bond of the ethyl prop-2-enoate chain adopts an E conformation and an intramolecular C—H...O hydrogen bond generates an S6 ring. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generate R22(14 loops. Weak π–π interactions [centroid–centroid distance = 3.8493 (12 Å] also occur.

  14. Biodegradation of the gasoline oxygenates methyl tert-butyl ether, ethyl tert-butyl ether, and tert-amyl methyl ether by propane-oxidizing bacteria.

    Science.gov (United States)

    Steffan, R J; McClay, K; Vainberg, S; Condee, C W; Zhang, D

    1997-11-01

    Several propane-oxidizing bacteria were tested for their ability to degrade gasoline oxygenates, including methyl tert-butyl ether (MTBE), ethyl tert-butyl ether (ETBE), and tert-amyl methyl ether (TAME). Both a laboratory strain and natural isolates were able to degrade each compound after growth on propane. When propane-grown strain ENV425 was incubated with 20 mg of uniformly labeled [14C]MTBE per liter, the strain converted > 60% of the added MTBE to 14CO2 in production of nearly stoichiometric amounts of tert-butyl alcohol (TBA), while the initial oxidation of TAME resulted in the production of tert-amyl alcohol. The methoxy methyl group of MTBE was oxidized to formaldehyde and ultimately to CO2. TBA was further oxidized to 2-methyl-2-hydroxy-1-propanol and then 2-hydroxy isobutyric acid; however, neither of these degradation products was an effective growth substrate for the propane oxidizers. Analysis of cell extracts of ENV425 and experiments with enzyme inhibitors implicated a soluble P-450 enzyme in the oxidation of both MTBE and TBA. MTBE was oxidized to TBA by camphor-grown Pseudomonas putida CAM, which produces the well-characterized P-450cam, but not by Rhodococcus rhodochrous 116, which produces two P-450 enzymes. Rates of MTBE degradation by propane-oxidizing strains ranged from 3.9 to 9.2 nmol/min/mg of cell protein at 28 degrees C, whereas TBA was oxidized at a rate of only 1.8 to 2.4 nmol/min/mg of cell protein at the same temperature.

  15. Identification of 2-ethyl-4-methyl-3-thiazoline and 2-isopropyl-4-methyl-3-thiazoline for the first time in nature by the comprehensive analysis of sesame seed oil.

    Science.gov (United States)

    Agyemang, David; Bardsley, Kathryn; Brown, Sharon; Kraut, Kenneth; Psota-Kelty, Linda; Trinnaman, Laurence

    2011-04-01

    Toasted sesame seed oil was comprehensively analyzed. It was extracted using the SAFE (Solvent-Assisted Flavor Evaporation) technique. The extract was analyzed by GC and GC-MS on 2 phases and a total of 87 components were identified, confirmed, and are presented in this paper. The major components were methylpyrazine; 2,5-dimethylpyrazine; 2,6-dimethylpyrazine; 2-ethyl-3,6-dimethylpyrazine; furfuryl alcohol; and guaiacol. In addition, as part of this analysis, 2-ethyl-4-methyl-3-thiazoline and 2-isopropyl-4-methyl-3-thiazoline were confirmed as being present in a natural product for the first time. Their identification, confirmation, and sensory evaluation have been documented here.

  16. Synthesis and characterization of bis-(2-cyano-1-methyl-3-{2- {{(5-methylimidazol-4-yl)methyl}thio}ethyl)guanidine copper(II) sulfate tetrahydrate

    Science.gov (United States)

    Rahardjo, Sentot B.; Endah Saraswati, Teguh; Pramono, Edy; Fitriana, Nur

    2016-02-01

    Complex of copper(II) with 2-cyano-1-methyl-3-{2-{{(5-methylimidazol-4- yl)methyl}thio}ethyl)guanidin(xepamet) had been synthesized in 1 : 4 mole ratio of metal to the ligand in methanol. The complex was characterized by metal analysis, thermal gravimetry/differential thermal analyzer (TG/DTA), molar conductivity meter, (Fourier transform infrared spectroscopy) FT-IR, UV-Vis spectroscopy, and magnetic susceptibility balance. The molar conductivity measurement shows that the complex was 2: 1 for electrolyte and SO42- which was acting as a counter ion. The thermal analysis by Thermogravimetric (TG) indicates that the complex contained four molecules of H2O. The Infrared spectral data indicates that functional groups of (C=N) imidazole and (C-S) are coordinated to the center ion Cu2+. Magnetic moment measurement shows that the complex is paramagnetic with peff = 1.78 ± 0.01 BM. Electronic spectra of the complex show a broad band at 608 nm (16447.23 cm-1) are due to Eg→T2g transition. Based on those of characteristics, The complex formula was estimated as [Cu(xepamet)2]SO4.4H2O. The structure of [Cu(xepamet)2]SO4.4H2O complex is probably square planar.

  17. Biodegradation of ethyl t-butyl ether (ETBE), methyl t-butyl ether (MTBE) and t-amyl methyl ether (TAME) by Gordonia terrae.

    Science.gov (United States)

    Hernandez-Perez, G; Fayolle, F; Vandecasteele, J P

    2001-01-01

    Gordonia terrae strain IFP 2001 was selected from activated sludge for its capacity to grow on ethyl t-butyl ether (ETBE) as sole carbon and energy source. ETBE was stoichiometrically degraded to t-butyl alcohol (TBA) and the activity was inducible. A constitutive strain, G. terrae IFP 2007, derived from strain IFP 2001, was also selected. Methyl t-butyl ether (MTBE) and t-amyl methyl ether (TAME) were not used as carbon and energy sources by the two strains, but cometabolic degradation of MTBE and TAME was demonstrated, to TBA and t-amyl alcohol (TAA) respectively, in the presence of a carbon source such as ethanol. No two-carbon compound was detected during growth on ETBE, but formate was produced during cometabolic degradation of MTBE or TAME. A monooxygenase was involved in the degradation of ethers, because no degradation of ETBE was observed under anaerobic conditions and the presence of a cytochrome P-450 was demonstrated in G. terrae IFP 2001 after induction by cultivation on ETBE.

  18. Selection and identification of bacterial strains with methyl-tert-butyl ether, ethyl-tert-butyl ether, and tert-amyl methyl ether degrading capacities.

    Science.gov (United States)

    Purswani, Jessica; Pozo, Clementina; Rodríguez-Díaz, Marina; González-López, Jesús

    2008-11-01

    Nine bacterial strains isolated from two hydrocarbon-contaminated soils were selected because of their capacity for growth in culture media amended with 200 mg/L of one of the following gasoline oxygenates: Methyl-tert-butyl ether (MTBE), ethyl-tert-butyl ether (ETBE), and tert-amyl methyl ether (TAME). These strains were identified by amplification of their 16S rRNA gene, using fDl and rD1 primers, and were tested for their capacity to grow and biotransform these oxygenates in both mineral and cometabolic media. The isolates were classified as Bacillus simplex, Bacillus drentensis, Arthrobacter sp., Acinetobacter calcoaceticus, Acinetobacter sp., Gordonia amicalis (two strains), Nocardioides sp., and Rhodococcus ruber. Arthrobacter sp. (strain MG) and A. calcoaceticus (strain M10) consumed 100 (cometabolic medium) and 82 mg/L (mineral medium) of oxygenate TAME in 21 d, respectively, under aerobic conditions. Rhodococcus ruber (strain E10) was observed to use MTBE and ETBE as the sole carbon and energy source, whereas G. amicalis (strain T3) used TAME as the sole carbon and energy source for growth. All the bacterial strains transformed oxygenates better in the presence of an alternative carbon source (ethanol) with the exception of A. calcoaceticus (strain M10). The capacity of the selected strains to remove MTBE, ETBE, and TAME looks promising for application in bioremediation technologies.

  19. Bromidotetra-kis-(1H-2-ethyl-5-methyl-imidazole-κN)copper(II) bromide.

    Science.gov (United States)

    Godlewska, Sylwia; Baranowska, Katarzyna; Socha, Joanna; Dołęga, Anna

    2011-12-01

    The Cu(II) ion in the title compound, [CuBr(C(6)H(10)N(2))(4)]Br, is coordinated in a square-based-pyramidal geometry by the N atoms of four imidazole ligands and a bromide anion in the apical site. Both the Cu(II) and Br(-) atoms lie on a crystallographic fourfold axis. In the crystal, the [CuBr(C(6)H(10)N(2))(4)](+) complex cations are linked to the uncoordinated Br(-) anions (site symmetry [Formula: see text]) by N-H⋯Br hydrogen bonds, generating a three-dimensional network. The ethyl group of the imidazole ligand was modelled as disordered over two orientations with occupancies of 0.620 (8) and 0.380 (8).

  20. Broadband dynamics in neat 4-methyl-3-heptanol and in mixtures with 2-ethyl-1-hexanol

    DEFF Research Database (Denmark)

    Hecksher, Tina; Olsen, Niels Boye; Bauer, S;

    2013-01-01

    The relatively small dielectric Debye-like process of the monohydroxy alcohol 4-methyl-3-heptanol (4M3H) was found to depend slightly on the intramolecular conformation. Proton and deuteron nuclear magnetic resonance demonstrate that the hydroxyl dynamics and the overall molecular dynamics take...... experiments. Shear viscosity as well as diffusometry measurements were performed and the data were analyzed in terms of the Debye-Stokes-Einstein equations. In mixtures of 4M3H with 2E1H the Debye-like process becomes much stronger and for 2E1H mole fraction of more than 25% the behavior of this alcohol...

  1. Chirped Pulse-Fourier Transform Microwave Spectroscopy of Ethyl 3-METHYL-3-PHENYLGLYCIDATE (strawberry Aldehyde)

    Science.gov (United States)

    Shipman, Steven T.; Neill, Justin L.; Muckle, Matt T.; Suenram, Richard D.; Pate, Brooks H.

    2009-06-01

    Strawberry aldehyde (C_{12} O_3 H_{14}), a common artificial flavoring compound, has two non-interconvertible conformational families defined by the relative stereochemistry around its epoxide carbons. In one family, referred to as the trans because the two large substituents (a phenyl ring and an ethyl ester) are on opposite sides of the epoxide ring, these two substituents are unable to interact with each other. However, in the cis family, there is a long-range interaction that is difficult to accurately capture in electronic structure calculations. Three trans and two cis conformations have been assigned by broadband chirped pulse Fourier transform microwave spectroscopy, along with the C-13 isotopomers in natural abundance for one conformer from each of the families. The agreement of the rotational constants, relative dipole moments, and relative energies between theory and experiment is excellent, even at relatively crude levels of theory, for the trans family, but is quite poor for the cis conformers. In addition, due to the reactivity of strawberry aldehyde and the high temperature to which it must be heated to yield a suitable vapor pressure, several decomposition products have been assigned, and more, as of yet unassigned, are likely to be present. This project demonstrates some of the challenges in performing large-molecule rotational spectroscopy.

  2. Liquid/air partition coefficients of methyl and ethyl T-butyl ethers, T-amyl methyl ether, and T-butyl alcohol.

    Science.gov (United States)

    Nihlen, A; Lof, A; Johanson, G

    1995-01-01

    Partition coefficients are essential to a description of the uptake and distribution of volatile substances in humans and in the development of physiologically based pharmacokinetic models. Liquid/air partition coefficients (lambda) of three ethers, methyl t-butyl ether (MTBE), ethyl t-butyl ether (ETBE), and t-amyl methyl ether (TAME) were determined in vitro by head space-gas chromatography. These ethers, and especially MTBE, are used in unleaded gasoline to enhance the oxygen and octane content, and to reduce the output of carbon monoxide during combustion. Partition coefficients of t-butyl alcohol (TBA), a metabolite of MTBE, were determined also. The liquids tested were fresh human blood, water (physiological saline), and olive oil. The (lambda)blood/air values were: 17.7 (95% confidence interval 17.0-18.4) for MTBE; 11.7 (11.3-12.1) for ETBE; and 17.9 (17.3-18.5) for TAME. Corresponding (lambda)water/air values were 15.2 (14.9-15.5), 8.39 (8.19-8.59), and 11.9 (11.7-12.1). The ethers have a higher affinity for oil, the values for (lambda)oil/air being 120 (114-125), 190 (183-197), and 337 (320-354), respectively. As expected, the (lambda)blood/air and (lambda)water/air for TBA were much higher than for the ethers, 462 (440-484) and 603 (590-617), respectively. The (lambda)oil/air was 168 (161-174) for TBA. The interindividual variability of the (lambda)blood/air (10 subjects) was calculated as the coefficient of variation, and estimated as: 14% for MTBE, 20% for ETBE, 20% for TAME, and 30% for TBA. No significant difference was seen in the (lambda)blood/air between the sexes.

  3. Structure and morphology of Ru films grown by atomic layer deposition from 1-ethyl-1’-methyl-ruthenocene

    Science.gov (United States)

    Kukli, Kaupo; Aarik, Jaan; Aidla, Aleks; Uustare, Teet; Jõgi, Indrek; Lu, Jun; Tallarida, Massimo; Kemell, Marianna; Kiisler, Alma-Asta; Ritala, Mikko; Leskelä, Markku

    2010-06-01

    Ru thin films were grown on TiO 2, Al 2O 3, HfO 2, and ZrO 2 films as well as on HF-etched silicon and SiO 2-covered silicon by atomic layer deposition from 1-ethyl-1'-methyl-ruthenocene, (CH 3C 5H 4)(C 2H 5C 5H 4)Ru, and oxygen. The growth of Ru was obtained and characterized at temperatures ranging from 250 to 325 °C. On epitaxial rutile, highly oriented growth of Ru with hexagonal structure was achieved, while on other substrates the films possessed nonoriented hexagonal structure. Ruthenium oxide was not detected in the films. The lowest resistivity value obtained for 5.0-6.6 nm thick films was 26 μΩ cm. The conductivity of the films depended somewhat on the deposition cycle time parameters and, expectedly, more strongly on the amount of deposition cycles. Increase in the deposition temperature of underlying metal oxide films increased the conductivity of Ru layers.

  4. Kinetics of exchange between zero-, one-, and two-hydrogen-bonded states of methyl and ethyl acetate in methanol.

    Science.gov (United States)

    Chuntonov, Lev; Pazos, Ileana M; Ma, Jianqiang; Gai, Feng

    2015-03-26

    It has recently been shown that the ester carbonyl stretching vibration can be used as a sensitive probe of local electrostatic field in molecular systems. To further characterize this vibrational probe and extend its potential applications, we studied the kinetics of chemical exchange between differently hydrogen-bonded (H-bonded) ester carbonyl groups of methyl acetate (MA) and ethyl acetate (EA) in methanol. We found that, while both MA and EA can form zero, one, or two H-bonds with the solvent, the population of the 2hb state in MA is significantly smaller than that in EA. Using a combination of linear and nonlinear infrared measurements and numerical simulations, we further determined the rate constants for the exchange between these differently H-bonded states. We found that for MA the chemical exchange reaction between the two dominant states (i.e., 0hb and 1hb states) has a relaxation rate constant of 0.14 ps(-1), whereas for EA the three-state chemical exchange reaction occurs in a predominantly sequential manner with the following relaxation rate constants: 0.11 ps(-1) for exchange between 0hb and 1hb states and 0.12 ps(-1) for exchange between 1hb and 2hb states.

  5. Degradation of methyl and ethyl mercury into inorganic mercury by hydroxyl radical produced from rat liver microsomes

    Energy Technology Data Exchange (ETDEWEB)

    Suda, Ikuo (Kumamoto Univ. (Japan). Dept. of Pharmacology); Hirayama, Kimiko (Kumamoto Univ. (Japan). Coll. of Medical Science)

    1992-07-01

    Liver microsomes were prepared from Wistar rat by the Ca{sup 2+} aggregation method. Under various conditions, ethyl mercury chloride (EtHgCl) or methyl mercury chloride (MeHgCl) was incubated with the microsomal preparations. After the incubation, the amounts of inorganic Hg and hydroxyl radical (.OH) in the preparations were determined. Although the preparations alone produced a small amount of inorganic Hg and .OH, the addition of NADPH to the preparations increased both inorganic Hg and .OH production, which were further accelerated by the addition of KCN. The addition of Fe(III)EDTA, a .OH formation promoter, to the microsome-NADPH-KCN system increased inorganic Hg production, whereas the addition of diethylenetriamine pentaacetic acid, a .OH formation inhibitor, decreased inorganic Hg production. When .OH scavengers such as mannitol and dimethyl sulfoxide were added to this system, the inorganic Hg production decreased. These results suggested that the .OH produced from liver microsomes was responsible for the degradation of MeHg and EtHg. Since both .OH and inorganic Hg production decreased with a concomitant decrease in NADPH-cytochrome P-450 reductase activities, it is suggested that this enzyme may be involved in the microsomal degradation of MeHg and EtHg. (orig.).

  6. Energetic balance of castor oil methyl and ethyl esters; Balanco energetico de esteres metilicos e etilicos de oleo de mamona

    Energy Technology Data Exchange (ETDEWEB)

    Almeida Neto, Jose Adolfo de; Cruz, Rosenira Serpa da; Alves, Jaenes Miranda; Pires, Monica de Moura; Robra, Sabine [Universidade Estadual de Santa Cruz, Ilheus BA (Brazil). Grupo Bioenergia e Meio Ambiente]. E-mails: jalmeida@uesc.br; Parente Junior, Expedito [Tecnologias Bioenergeticas Ltda. (TECBIO), Fortaleza, CE (Brazil); Fundacao Nucleo de Tecnologia Industrial (NUTEC), Fortaleza, CE (Brazil)]. E-mail: expeditojr@tecbio.com.br

    2004-07-01

    Castor oil (Ricinus communis L.) is one of the cultures chosen by the biodiesel federal and state programs to supply raw material for biodiesel production - a biofuel indicated as renewable and less pollutant than its fossil competitor. An energetic balance was performed based on LCA - Life Cycle Analysis principles and Input-Output Analysis, comparing the castor oil energy performance with others traditional cultures: colza (Brassica napus) in Europe and soybean (Glycine max) in the United States. Energy balance (O-I) was positive in both production ways (methyl and ethyl) independent of coproduct use allocation alternative. The relation Output-Input (O-I) calculated for castor oil biodiesel [1.3-2.9] was higher than the colza (1.2-1.9) and lower than the soybean (3.2--3.4), independent of the way and allocation of the used byproduct. Both indicators suggest the energy and environmental viability of the castor oil biodiesel, provided that high agricultural productivity (higher than 1.500 kg/ha year) can be guaranteed. The potentialization of the positive energetic and environmental effects depends on the adequate utilization of the coproducts and process residues, the improvement of the energy efficiency in the the castor oil and biodiesel processing and the implementation of efficient management in the use of the chemical inputs (specially the N), responsible for up 5% of the total energy input.

  7. Effects of a novel allelochemical ethyl 2-methyl acetoacetate (EMA) on the ultrastructure and pigment composition of cyanobacterium Microcystis aeruginosa.

    Science.gov (United States)

    Hong, Yu; Huang, Jing-Jing; Hu, Hong-Ying

    2009-10-01

    Allelochemical ethyl 2-methyl acetoacetate (EMA) can significantly inhibit the growth of bloom-forming Microcystis aeruginosa. In order to assess the implication of the damage of EMA on the algal photosynthetic apparatus, the effects of EMA on the algal ultrastructure and pigment composition were investigated. At initial exposure time to EMA (0-40 h), algal allophycocyanin, phycoerythrin and carotenoid degraded firstly; chlorophyll a increased, especially by 47% in the algae exposed to 2 mg L(-1) of EMA; phycocyanin was not significantly affected; lipid bodies increased remarkably. After 40 h of EMA exposure, chlorophyll a decreased gradually, especially by 45% in the algae exposed to 4 mg L(-1) of EMA; lipid bodies greatly reduced but cyanophycin granules accumulated; thylakoid structures were dissolved or disappeared with the presence of numerous vacuoles. These results showed that all ophycocyanin, phycoerythrin and carotenoid were more sensitive to EMA than other pigments, the cells of M. aeruginosa was stressed by EMA with the occurrence of cyanophycin granules and the photosynthesis pigments and ultrastructure of M. aeruginosa were quickly destroyed by EMA with exposure time increasing.

  8. DFT study on the adsorption of diethyl, ethyl methyl, and dimethyl ethers on the surface of gallium doped graphene

    Science.gov (United States)

    Shokuhi Rad, Ali; Sani, Emad; Binaeian, Ehsan; Peyravi, Majid; Jahanshahi, Mohsen

    2017-04-01

    In this study, we used density functional theory (DFT) to search on the adsorption properties of three important compounds of ether family; diethyl ether (DEE), ethyl methyl ether (EME), and dimethyl ether (DME) on the surface of Gallium doped graphene (GaG). We used three functionals (B3LYP, wb97xd, and MPW1PW91) for optimization and calculation of adsorption energy. After fully optimization, we scrutinized on the charge allocations on the adsorbed ethers as well as GaG (at the area of interaction) based on natural bond orbitals (NBO). Besides, we have calculated the amount of charge transfer upon adsorption of each analyte. We revel that GaG is an ideal adsorbent for chemisorption of all above-mentioned ethers. There is a little difference between the values of adsorption; -123.5, -120, and -118.3 kJ/mol (based on wb97xd) for DEE, EME, and DME, respectively. We found significant changes in the electronic structure of both adsorbent and adsorbate upon adsorption. Moreover, results of charge analyses confirm GaG is a p-type semiconductor.

  9. Determination of methyl mercury in whole blood by ethylation-GC-CVAFS after alkaline digestion-solvent extraction.

    Science.gov (United States)

    Liang, L; Evens, C; Lazoff, S; Woods, J S; Cernichiari, E; Horvat, M; Martin, M D; DeRouen, T

    2000-01-01

    A method for the determination of methyl mercury in whole blood samples based on ethylation-gas chromatography-cold vapor atomic fluorescence spectrometry after alkaline digestion-solvent extraction is described. The extraction procedure and conditions were optimized, and the matrix interference after extraction was critically investigated. The storage stability of MeHg in blood samples and a series of extracts was determined. The method detection limit was found to be approximately 0.02 ng/g for a 0.5-g blood sample with relative standard deviations of less than 10%. The accuracy and precision were evaluated by summarizing the quality-control (QC) data generated over a one and one half year period. Appropriate procedures for sample collection, transportation, and storage were adapted to the method. Using this method accompanied by explicit QC protocols and procedures, background levels of MeHg and total mercury in blood for 150 8-10-year-old Portuguese children with nonoccupational and nonamalgamal exposure were determined and reported with summarized QC data.

  10. Degradation of methyl and ethyl mercury by singlet oxygen generated from sea water exposed to sunlight or ultraviolet light.

    Science.gov (United States)

    Suda, I; Suda, M; Hirayama, K

    1993-01-01

    Photodegradation of methyl mercury (MeHg) and ethyl Hg (EtHg) in sea water was studied by sunlight or ultraviolet (UV) light exposure, and by determining inorganic Hg produced by degradation. Sea water containing 1 microM MeHg or EtHg was exposed to sunlight or UV light. N-Acetyl-L-cysteine was added to the solution for preventing Hg loss during the light exposure. MeHg and EtHg in sea water were degraded by sunlight (> 280 nm), UV light A (320-400 nm) and UV light B (280-320 nm), though the amounts of inorganic Hg produced from MeHg were 1/6th to 1/12th those from EtHg. Inorganic Hg production was greater with increasing concentration of sea water. Degradation of MeHg and EtHg by the UV light A exposure was inhibited by singlet oxygen (1O2) trappers such as NaN3, 1,4-diazabicyclo[2,2,2]octane, histidine, methionine and 2,5-dimethylfuran. On the other hand, inhibitors or scavengers of superoxide anion, hydrogen peroxide or hydroxyl radical did not inhibit the photodegradation of alkyl Hg. These results suggested that 1O2 generated from sea water exposed to sunlight, UV light A or UV light B was the reactive oxygen species mainly responsible for the degradation of MeHg and EtHg.

  11. Laboratory simulated dissipation of metsulfuron methyl and chlorimuron ethyl in soils and their residual fate in rice, wheat and soybean at harvest

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Two sulfonylurea herbicides, metsulfuron methyl (Ally 20 WP) and chlorimuron ethyl (Classic 25 WP) were evaluated for their dissipation behaviour in alluvial, coastal saline and laterite soils under laboratory incubated condition at 60% water holding capacity of soils and 30 ℃ temperature was maintained. In field study herbicides were applied twice for the control of grasses, annual and perennials broad leaves weeds and sedges in rice, wheat and soybean to find out the residual fate of both the herbicides on different matrices of respective crops after harvest. Extraction and clean up methodologies for the herbicides were standardized and subsequently analyzed by HPLC. The study revealed that the half-lives of metsulfuron methyl and chlorimuron ethyl ranged from 10.75 to 13.94 d irrespective of soils and doses applied. Field trials with rice, wheat and soybean also revealed that these two herbicides could safely be recommended for application as no residues were detected in the harvest samples.

  12. Heat-activated persulfate oxidation of methyl- and ethyl-parabens: Effect, kinetics, and mechanism.

    Science.gov (United States)

    Chen, Yiqun; Deng, Pinya; Xie, Pengchao; Shang, Ran; Wang, Zongping; Wang, Songlin

    2017-02-01

    We evaluated the degradation of methylparaben (MeP) and ethylparaben (EtP), two representative parabens, using the heat-activated persulfate system in a laboratory. Both sulfate and hydroxyl radicals contributed to the removal of the two parabens. The degradations of both MeP and EtP were improved by increasing the heating temperature or persulfate dose in accordance with a pseudo-first-order reaction model. The oxidation efficiency of parabens was found to be pH-dependent; decreasing in the order pH 5.0 > 7.0 > 9.0. The presence of chloride, bicarbonate, or humic acid was found to inhibit the degradation of the two parabens to some extent because of competition for the reactive radicals, with humic acid having the most serious effect. Dealkylation of the methyl unit, decarboxylation of the carboxylic group, and subsequent hydrolysis are proposed to be involved in the degradation pathway of MeP. The results suggest that the heat-activated persulfate system might be efficiently applied in the treatment of paraben-containing water samples. This was also supported by the results of applying this system to treat a real water sample containing both MeP and EtP.

  13. A library synthesis of 4-hydroxy-3-methyl-6-phenylbenzofuran-2-carboxylic acid ethyl ester derivatives as anti-tumor agents.

    Science.gov (United States)

    Hayakawa, Ichiro; Shioya, Rieko; Agatsuma, Toshinori; Furukawa, Hidehiko; Naruto, Shunji; Sugano, Yuichi

    2004-09-06

    As a result of a hit-to-lead program using a technique of solution-phase parallel synthesis, a highly potent (2,4-dimethoxyphenyl)-[6-(3-fluorophenyl)-4-hydroxy-3-methylbenzofuran-2-yl]methanone (15b) was synthesized as an optimized derivative of 4-hydroxy-3-methyl-6-phenylbenzofuran-2-carboxylic acid ethyl ester (1), which was discovered as a screening hit from small-molecule libraries and exhibited selective cytotoxicity against a tumorigenic cell line.

  14. Development and Commercial Application of Methyl-ethyl-ketone Production Technology%甲乙酮成套技术开发及工业应用

    Institute of Scientific and Technical Information of China (English)

    刘振华; 霍稳周; 马皓; 乔凯

    2006-01-01

    A synthetic technology for the production of methyl-ethyl-ketone (MEK) is introduced, which makes use of butylene catalytic hydration to produce secondary butanol (SBA) and this is followed by dehydrogenation of SBA. By optimizing the operating conditions of a commercial unit, the running results showed that the recommended process was successful and that the catalysts had high activity, good selectivity, and long lifespan, which ensured long-term running in commercial units.

  15. A New Approach to Ethyl 1-Aroyl/Aroylmethyl-5-methyl-3-methylthiopyrazole-4-carboxylates: High Regioselectivity in Alkylation and Acylation Reactions between N-1 and N-2 of a Pyrazole Derivative

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    Two series, totalizing twelve, of new compounds, ethyl 1-aroyl/aroylmethyl-5-methyl-3-methylthiopyrazole-4-carboxylates 5/6, have been synthesized via highly regioselective acylation and alkylation of ethyl 3-methyl-5-methylthio-1H- pyrazole-4-carboxylate 2a with aroyl chloride 3and alpha-tosyloxysubstitutedacetophenones 4. Unexpected structures of the product have been unambiguously determined by both X-ray crystallographic analysis and 2D NMR.

  16. s-Ethyl Cysteine and s-Methyl Cysteine Protect Human Bronchial Epithelial Cells Against Hydrogen Peroxide Induced Injury.

    Science.gov (United States)

    Hsia, Te-chun; Yin, Mei-chin

    2015-09-01

    Protective effects and actions from s-ethyl cysteine (SEC) and s-methyl cysteine (SMC) for BEAS-2B cells were examined. BEAS-2B cells were pretreated with SEC or SMC at 4, 8, or 16 μmol/L, and followed by hydrogen peroxide (H2 O2 ) treatment. Data showed that H2 O2 enhanced Bax, caspase-3 and caspase-8 expression, and declined Bcl-2 expression. However, SEC or SMC dose-dependently decreased caspase-3 expression and reserved Bcl-2 expression. H2 O2 increased reactive oxygen species (ROS) production, and lowered glutathione level, glutathione peroxide, and glutathione reductase activities in BEAS-2B cells. SEC or SMC pretreatments reduced ROS generation, and maintained glutathione redox cycle in those cells. H2 O2 upregulated the expression of both p47(phox) and gp91(phox) . SEC and SMC downregulated p47(phox) expression. SEC or SMC at 8 and 16 μmol/L decreased H2 O2 -induced release of inflammatory cytokines. H2 O2 stimulated the activation of nuclear factor-κB (NF-κB) and mitogen-activated protein kinase. SEC and SMC pretreatments dose-dependently downregulated NF-κB p65 and p-p38 expression. Pyrrolidine dithiocarbamate or SB203580 inhibited NF-κB activation and p38 phosphorylation; thus, SEC or SMC pretreatments failed to affect protein expression of these factors. These novel findings suggest that SEC or SMC could protect bronchial cells and benefit respiratory epithelia stability and functions.

  17. Degradation of methyl and ethyl mercury into inorganic mercury by other reactive oxygen species besides hydroxyl radical

    Energy Technology Data Exchange (ETDEWEB)

    Suda, Ikuo; Takahashi, Hitoshi (Kumamoto Univ. Medical School (Japan). Inst. for Medical Immunology)

    1992-01-01

    Degradation of methyl mercury (MeHg) and ethyl Hg (EtHg) with reactive oxygens was studied in vitro by using peroxidase-hydrogen peroxide (H{sub 2}O{sub 2})-halide and rose bengal-ultraviolet light A systems. For this purpose, the direct determination method for inorganic Hg was employed. Both systems could effectively degrade EtHg, and MeHg to some extent. Degradation of MeHg and EtHg with the myeloperoxidase (MPO)-H{sub 2}O{sub 2}-chloride system was inhibited by MPO inhibitors (cyanide and azide), catalase, hypochlorous acid (HOCl) scavengers (glycine, alanine, serine and taurine), 1,4-diazabicyclo(2,2,2)octane and 2,5-dimethylfuran, but not by hydroxyl radical scavengers (ethanol and mannitol). Iodide was more effective than chloride as the halide component. Lactoperoxidase (LPO) could substitute for MPO in the iodide, but not the chloride system. With MPO-H{sub 2}O{sub 2}-chloride, MPO-H{sub 2}O{sub 2}-iodide and LPO-H{sub 2}O{sub 2}-iodide systems, we observed the increased degradation of EtHg in deuterium oxide (D{sub 2}O) medium better than that in H{sub 2}O medium. The D{sub 2}O effect upon MeHg degradation was extremely weak. These results suggested that HOCl (or HOI) might be also capable of degrading MeHg and EtHg, besides the hydroxyl radical already reported by us. Singlet oxygen could degrade EtHg but not MeHg. (orig.).

  18. Oxidation of Methyl and Ethyl Nitrosamines by Cytochromes P450 2E1 and 2B1

    Science.gov (United States)

    Chowdhury, Goutam; Calcutt, M. Wade; Nagy, Leslie D.; Guengerich, F. Peter

    2012-01-01

    Cytochrome P450 (P450) 2E1 is the major enzyme that oxidizes N-nitrosodimethylamine (N,N-dimethylnitrosamine, DMN), a carcinogen and also a representative of some nitrosamines formed endogenously. Oxidation of DMN by rat or human P450 2E1 to HCHO showed a high apparent intrinsic kinetic deuterium isotope effect (KIE), ≥ 8. The KIE was not attenuated in non-competitive intermolecular experiments with rat liver microsomes (DV 12.5, D(V/K) 10.9, nomenclature of Northrop, D.B. (1982) Methods Enzymol. 87, 607–625) but was with purified human P450 2E1 (DV 3.3, D(V/K) 3.7), indicating that C-H bond breaking is partially rate-limiting with human P450 2E1. With N-nitrosodiethylamine (N,N-diethylnitrosamine, DEN), the intrinsic KIE was slightly lower and was not expressed (e.g., D(V/K) 1.2) in non-competitive intermolecular experiments. The same general pattern of KIEs was also seen in the D(V/K) results with DMN and DEN for the minor products resulting from the denitrosation reactions (CH3NH2, CH3CH2NH2, and NO2−). Experiments with deuterated N-nitroso-N-methyl,N-ethylamine demonstrated that the lower KIEs associated for ethyl compared to methyl oxidation could be distinguished within a single molecule. P450 2E1 oxidized DMN and DEN to aldehydes and then to the carboxylic acids. No kinetic lags were observed in acid formation; pulse-chase experiments with carrier aldehydes showed only limited equilibration with P450 2E1-bound aldehydes, indicative of processive reactions, as reported for P450 2A6 (Chowdhury, G. et al. (2010) J. Biol. Chem. 285, 8031–8044). These same features (no lag phase for HCO2H formation, lack of equilibration in pulse-chase assays) were also seen with (rat) P450 2B1, which has lower catalytic efficiency for DMN oxidation and a larger active site. Thus, the processivity of dialkylnitrosamine oxidation appears to be shared by a number of P450s. PMID:23186213

  19. Oxidation of methyl and ethyl nitrosamines by cytochrome P450 2E1 and 2B1.

    Science.gov (United States)

    Chowdhury, Goutam; Calcutt, M Wade; Nagy, Leslie D; Guengerich, F Peter

    2012-12-18

    Cytochrome P450 (P450) 2E1 is the major enzyme that oxidizes N-nitrosodimethylamine [N,N-dimethylnitrosamine (DMN)], a carcinogen and also a representative of some nitrosamines formed endogenously. Oxidation of DMN by rat or human P450 2E1 to HCHO showed a high apparent intrinsic kinetic deuterium isotope effect (KIE), ≥8. The KIE was not attenuated in noncompetitive intermolecular experiments with rat liver microsomes {(D)V = 12.5; (D)(V/K) = 10.9 [nomenclature of Northrop, D. B. (1982) Methods Enzymol. 87, 607-625]} but was with purified human P450 2E1 [(D)V = 3.3; (D)(V/K) = 3.7], indicating that C-H bond breaking is partially rate-limiting with human P450 2E1. With N-nitrosodiethylamine [N,N-diethylnitrosamine (DEN)], the intrinsic KIE was slightly lower and was not expressed [e.g., (D)(V/K) = 1.2] in noncompetitive intermolecular experiments. The same general pattern of KIEs was also seen in the (D)(V/K) results with DMN and DEN for the minor products resulting from the denitrosation reactions (CH(3)NH(2), CH(3)CH(2)NH(2), and NO(2)(-)). Experiments with deuterated N-nitroso-N-methyl-N-ethylamine demonstrated that the lower KIEs associated with ethyl versus methyl oxidation could be distinguished within a single molecule. P450 2E1 oxidized DMN and DEN to aldehydes and then to the carboxylic acids. No kinetic lags were observed in acid formation; pulse-chase experiments with carrier aldehydes showed only limited equilibration with P450 2E1-bound aldehydes, indicative of processive reactions, as reported for P450 2A6 [Chowdhury, G., et al. (2010) J. Biol. Chem. 285, 8031-8044]. These same features (no lag phase for HCO(2)H formation and a lack of equilibration in pulse-chase assays) were also seen with (rat) P450 2B1, which has a lower catalytic efficiency for DMN oxidation and a larger active site. Thus, the processivity of dialkyl nitrosamine oxidation appears to be shared by a number of P450s.

  20. 1-Ethyl-2-phenyl-3-[2-(tri­methyl­sil­yl)ethyn­yl]-1H-indole

    Science.gov (United States)

    Baglai, Iaroslav; Maraval, Valérie; Duhayon, Carine; Chauvin, Remi

    2013-01-01

    The title compound, C21H23NSi, was synthesized by Sonogashira-type reaction of 1-ethyl-3-iodo-2-phenyl-1H-indole with tri­methyl­silyl­acetyl­ene. The indole ring system is nearly planar [maximum atomic deviation = 0.0244 (15) Å] and is oriented at a dihedral angle of 51.48 (4)° with respect to the phenyl ring. The supramolecular aggregation is completed by weak C—H⋯π inter­actions of the methylene and phenyl groups with the benzene and pyrrole rings of the indole ring system. The methyl groups of the tri­methyl­silyl unit are equally disordered over two sets of sites. PMID:23795091

  1. Synthesis and Crystal Structure of Ethyl 5-Amino-1-[(5'-methyl-1'-t-butyl-4'-pyrazolyl)carbonyl]-3- methylthio-1H-pyrazole-4-carboxylate

    Institute of Scientific and Technical Information of China (English)

    李明; 文丽荣; 赵桂龙; 王啸; 杨华铮

    2005-01-01

    The title compound, ethyl 5-amino-1-[(5'-methyl-1'-t-butyl-4'-pyrazolyl)carbonyl] -3-methylthio-1H-pyrazole-4-carboxylate 5, has been synthesized by the treatment of 4 with ethyl 2-cyano-3,3-dimethylthioacrylate, and its crystal structure was determined by X-ray diffraction method. The crystal belongs to monoclinic, space group P21/c with a = 12.194(4), b = 12.909(4), c = 11.607(4) (A), β= 90.183(5)°, V = 1827.2(10) (A)3, Mr = 365.45, Z = 4, Dc = 1.328 g/cm3, μ = 0.203 mm-1, F(000) = 776, R = 0.0586 and wR = 0.1558. Preliminary bioassays indicated that the title compound shows fungicidal and plant growth regulation activities.

  2. Preparation and Catalytic Activity of PW12/PAn Material in Synthesis of 2 -Methyl-2-Ethyl Acetoacetate-1,3 -Dioxolane

    Institute of Scientific and Technical Information of China (English)

    YANG Shui-jin; YU Xie-qing; LU Bao-lan; SUN Ju-tang

    2004-01-01

    Acetals and ketals are among the most important perfume materials and industrial materials of organic synthesis. Up to now, there are many methods to synthesize them.Conventionally H2SO4 is used as catalyst in factories, but it causes many problems, such as the erosion of equipment, difficulty for after-treatment, low quality of the products, etc. Heteropolyacids (HPA) and their salts have been extensively studied because of their interesting catalytic properties.Significant research effort has been directed towards the entrapment of heteropolyanions in suitable polymeric matrices with the main goal of preparing a new type of polymer-supported catalyst for various applications in heterogeneous and electrocatalysis. It showed that the main catalysis of HPA occurs through Brφnsted acid. The reports pointed that the rate of dehydration and etherification is directly in proportion to total acidity of heteropolyacids, HPA and its salts showed excellent catalytic activity to the esterification and have recently attracted much attention as catalysts for various industrial processes, because that their acidic and redox properties can be controlled at atomic/molecular levels. Mizuno and Misono, Pope, Kozhevnikov and Wang Enbo have reviewed the homogeneous catalysis and fine organic synthesis catalyzed by heteropoly compounds.Polyaniline (PAn) is another example of a polymer host which can accommodate anions originating from 12-tungstophosphoric acid (PW12). The polyemeraldine base was prepared by condensation-polymerization of aniline in aqueous HCl using (NH4)2S2O8 as the oxidant.PW12/PAn can be achieved by doping the protonation of the polyemeraldine base with H3PW12O40 in a two-step procedure. However, there is no report on the synthesis of 2-methyl-2-ethyl acetoacetate-1,3-dioxolane catalyzed by PW12/PAn.In this paper, 2-methyl-2-ethyl acetoacetate-1,3-dioxolane was synthesis from ethyl acetoacetate and ethylene glycol in the presence of PW12/PAn. The factors

  3. Ultra-Trace Determination of Methyl Carbamate and Ethyl Carbamate in Local Wines by GC-FID Following Pre concentration with C18-SPE

    Directory of Open Access Journals (Sweden)

    Supawadee Sarawan

    2014-09-01

    Full Text Available An analytical method is described for ultra-trace determination of methyl carbamate and ethyl carbamate in locally produced fruit wines. The quantitative analysis involves with dichloromethane extraction followed by 30-fold preconcentration using C18 SPE prior to measurement by capillary GC-FID. Under the optimized conditions, a good linearity of their calibration curves was obtained in the range of 0.1-50.0 mg/L with r2 > 0.994. LOD and LOQ were 3.3-16.7 µg/L and 11.1-55.6 µg/L, respectively. The averaged recovery of these carbamates was ranged of 82.2-95.2% with RSD < 8.76%. The procedure was applied to determine both carbamate residues in various local wine samples. It was found that the concentration range of methyl carbamate (6.9-24.1 µg/L was rather fluctuated and higher than that of ethyl carbamate (2.6-4.3 µg/L, suggesting that is a certain residual background contamination naturally occurring in the wine fermentation.

  4. Chemo-Enzymatic Synthesis of Chiral Epoxides Ethyl and Methyl (S-3-(Oxiran-2-ylpropanoates from Renewable Levoglucosenone: An Access to Enantiopure (S-Dairy Lactone

    Directory of Open Access Journals (Sweden)

    Aurélien A. M. Peru

    2016-07-01

    Full Text Available Chiral epoxides—such as ethyl and methyl (S-3-(oxiran-2-ylpropanoates ((S-1a/1b—are valuable precursors in many chemical syntheses. Until recently, these compounds were synthesized from glutamic acid in four steps (deamination, reduction, tosylation and epoxide formation in low to moderate overall yield (20%–50%. Moreover, this procedure requires some harmful reagents such as sodium nitrite ((ecotoxic and borane (carcinogen. Herein, starting from levoglucosenone (LGO, a biobased chiral compound obtained through the flash pyrolysis of acidified cellulose, we propose a safer and more sustainable chemo-enzymatic synthetic pathway involving lipase-mediated Baeyer-Villiger oxidation, palladium-catalyzed hydrogenation, tosylation and treatment with sodium ethoxide/methoxide as key steps. This route afforded ethyl and methyl (S-3-(oxiran-2-ylpropanoates in 57% overall yield, respectively. To demonstrate the potentiality of this new synthetic pathway from LGO, the synthesis of high value-added (S-dairy lactone was undertaken from these epoxides and provided the target in 37% overall yield from LGO.

  5. Reaction of Ketene Dithioacetals with Pyrazolylcarbohydrazide:Synthesis and Biological Activities of Ethyl 5-Amino-1-(5'-methyl-1'-t-butyl-4'-pyrazolyl)carbonyl-3-methylthio-1H-pyrazole-4-carboxylate

    Institute of Scientific and Technical Information of China (English)

    LI Ming李明; WEN Li-Rong文丽荣; FU Wei-Jun付维军; ZHAO Gui-Long赵桂龙; HU Fang-Zhong胡方中; YANG Hua-Zheng杨华铮

    2004-01-01

    The title compound, C16-H23N5O3S, ethyl 5-amino-1-(5'-methyl-1'-t-butyl-4'-pyrazolyl)carbonyl-3-methylthio1H-pyrazole-4-carboxylate (5) has been synthesized by the treatment of ethyl 2-cyano-3,3-dimethylthioacrylate with 1-t-butyl-5-methyl-4-hydrazinocarbonylpyrazole (4) in refluxed ethanol. The possible mechanism of the above reaction was also discussed. The results of biological test show that the title compound has fungicidal and plant growth regulation activities.

  6. Synthesis, Crystal Structure and Biological Activities of 3-[2-(4-Fluoro-phenyl)-ethyl]-5-methyl-4-hydroxyl-4-methyl-7-methylsulfanyl-3,4-dihydro-pyrido[4,3-d]pyrimidine-8-carbonitrile

    Institute of Scientific and Technical Information of China (English)

    MO Wen-Yan; HE Hong-Wu

    2007-01-01

    The title compound, 3-[2-(4-fluoro-phenyl)-ethyl]-5-methyl-4-hydroxyl-4-methyl-7-methylsulfanyl-3,4-dihydro-pyrido[4,3-d]pyrimidine-8-carbonitrile, has been prepared and detemined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1- with a = 6.8754(8), b = 10.2617(12), c = 13.3491(16)(A), α = 93.163(2), β = 96.704(2), γ =102.421(2)°, V= 910.35(19) (A)3, Z = 2, Mr = 370.44, Dc = 1.351 g/cm3,μ = 0.203 mm-1, F(000) =388, the final R = 0.0573 and wR = 0.1497. X-ray analysis reveals that the pyridine and pyrimidine rings are almost coplanar.

  7. Ultrasonic velocities, densities, and excess molar volumes of binary mixtures of N,N-dimethyl formamide with methyl acrylate, or ethyl acrylate, or butyl acrylate, or 2-ethyl hexyl acrylate at T = 308.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Kondaiah, M. [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar 522510, Andhra Pradesh (India); Sravana Kumar, D. [Dr. V.S. Krishna Govt. Degree College, Visakhapatnam, Andhra Pradesh (India); Sreekanth, K. [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar 522510, Andhra Pradesh (India); Krishna Rao, D., E-mail: krdhanekula@yahoo.co.in [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar 522510, Andhra Pradesh (India)

    2011-12-15

    Highlights: > Positive values of V{sub m}{sup E}, indicate dispersion forces between acrylic esters and DMF. > V{sub m}{sup E} values compared with Redlich-Kister polynomial. > Partial molar volumes data conclude that weak interactions exist in the systems. > Measured velocity values compared with theoretical values obtained by polynomials. - Abstract: Ultrasonic velocities, u, densities, {rho}, of binary mixtures of N,N-dimethyl formamide (DMF) with methyl acrylate (MA), ethyl acrylate (EA), butyl acrylate (BA), and 2-ethyl hexyl acrylate (EHA), including pure liquids, over the entire composition range have been measured at T = 308.15 K. Using the experimental results, the excess molar volume, V{sub m}{sup E}, partial molar volumes, V-bar {sub m,1}, V-bar{sub m,2}, and excess partial molar volumes, V-bar{sub m,1}{sup E}, V-bar{sub m,2}{sup E} have been calculated. Molecular interactions in the systems have been studied in the light of variation of excess values of calculated properties. The excess properties have been fitted to Redlich-Kister type polynomial and the corresponding standard deviations have been calculated. The positive values of V{sub m}{sup E} indicate the presence of dispersion forces between the DMF and acrylic ester molecules. Further theoretical values of sound velocity in the mixtures have been evaluated using various theories and have been compared with experimental sound velocities to verify the applicability of such theories to the systems studied. Theoretical ultrasonic velocity data have been used to study molecular interactions in the binary systems investigated.

  8. Kinetics and thermodynamics of oxidation mediated reaction in L-cysteine and its methyl and ethyl esters in dimethyl sulfoxide-d6 by NMR spectroscopy

    Science.gov (United States)

    Dougherty, Ryan J.; Singh, Jaideep; Krishnan, V. V.

    2017-03-01

    L-Cysteine (L-Cys), L-Cysteine methyl ester (L-CysME) or L-Cysteine ethyl ester (L-CysEE), when dissolved in dimethyl sulfoxide, undergoes an oxidation process. This process is slow enough and leads to nuclear magnetic resonance (NMR) spectral changes that could be monitored in real time. The oxidation mediated transition is modeled as a pseudo-first order kinetics and the thermodynamic parameters are estimated using the Eyring's formulation. L-Cysteine and their esters are often used as biological models due to the remarkable thiol group that can be found in different oxidation states. This oxidation mediated transition is due to the combination of thiol oxidation to a disulfide followed by solvent-induced effects may be relevant in designing cysteine-based molecular models.

  9. Poly[[μ-aqua-aqua-[μ(4)-ethyl (dichloro-methyl-ene)diphospho-nato]sesqui-calcium(II)] acetone hemisolvate 4.5-hydrate].

    Science.gov (United States)

    Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko; Ahlgrén, Markku

    2009-03-25

    The title compound, {[Ca(1.5)(C(3)H(5)Cl(2)O(6)P(2))(H(2)O)(2)]·0.5CH(3)COCH(3)·4.5H(2)O}(n), has a two-dimensional polymeric structure. The asymmetric unit contains two crystallographically independent Ca(2+) cations connected by a chelating and bridging ethyl (dichloro-methyl-ene)diphos-pho-n-ate(3(-)) ligand and an aqua ligand. One of the Ca atoms, lying on a centre of symmetry, has a slightly distorted octa-hedral geometry, while the other Ca atom is seven-coordinated in a distorted monocapped trigonal-prismatic geometry. The polymeric layers are further connected by extensive O-H⋯O hydrogen bonding into a three-dimensional supra-molecular network. The acetone solvent mol-ecule and one uncoordin-ated water mol-ecule are located on twofold rotation axes.

  10. An Efficient Synthesis of Ethyl 7-Chloro-6-fluoro-1-methyl-4-oxo-1, 4-dihydro-[1, 3]thiazeto[3, 2-a]quinoline-3-carboxylate as Intermediate of the Prulifloxacin Containing Tricyclic Fluoroquinolone

    Institute of Scientific and Technical Information of China (English)

    Shu Tao MA; Hong Xiang LOU

    2006-01-01

    Novel ethyl 7-chloro-6-fluoro-1-methyl-4-oxo-1, 4-dihydro-[1, 3]thiazeto[3, 2-a]quinoline-3-carboxylate 2 was prepared from 3-chloro-4-fluoroaniline in eight steps. It can be used as a new intermediate for the synthesis of tricyclic fluoroquinolones.

  11. Synthesis of (2-amino)ethyl derivatives of quercetin 3-O-methyl ether and their antioxidant and neuroprotective effects.

    Science.gov (United States)

    Lee, Young Hun; Kim, Hyoung Ja; Yoo, Ho; Jung, Seo Yun; Kwon, Bong Jin; Kim, Nam-Jung; Jin, Changbae; Lee, Yong Sup

    2015-08-01

    Reactive oxygen species have been implicated in several diseases, particularly in ischemia-reperfusion injury. Quercetin 3-O-methyl ether has been reported to show potent antioxidant and neuroprotective activity against neuronal damage induced by reactive oxygen species. Several aminoethyl-substituted derivatives of quercetin 3-O-methyl ether have been synthesized to increase water solubility while retaining antioxidant and neuroprotective activity. Among such derivatives, compound 3a shows potent and well-balanced antioxidant activity in three types of cell-free assay systems and has in vivo neuroprotective effects on transient focal ischemic injury induced by the occlusion of the middle cerebral artery in rats.

  12. Photocatalytic oxidation of methyl ethyl ketone over sol-gel and commercial TiO2 for the improvement of indoor air.

    Science.gov (United States)

    Raillard, C; Héquet, V; Le Cloirec, P; Legrand, J

    2006-01-01

    This work focuses on the photocatalytic oxidation of gaseous methyl ethyl ketone chosen as a typical indoor air pollutant. Two types of TiO coatings were prepared and deposited on glass plates: one using the commercial Degussa P25 TiO2 and the other one by sol-gel method. The first objective of this study was to compare different ways of preparing thin films of sol-gel TiO2 coated on glass plates, taking into account their general aspect and their photocatalytic efficiency. Several parameters were tested, such as the stabilising agent, the glass type of the support, the number of coatings and the calcination temperature. One of the synthesised materials was then kept to carry out the following study. The study aimed to assess the influence of TiO2 coating types on the effect of water vapour. This was achieved by performing MEK photocatalytic degradation kinetics under two levels of humidity at a fixed temperature. Experimental results were then modelled by the Langmuir-Hinshelwood equation. The obtained parameters gave specific trends in function of the considered catalyst. The second part of this work was to identify MEK degradation byproducts during its photocatalytic oxidation. The main detected intermediate was acetaldehyde, followed by methyl formate. A MEK degradation pathway was then proposed.

  13. Kinetics of the gas-phase reaction between ozone and three unsaturated oxygenated compounds: Ethyl 3,3-dimethyl acrylate, 2-methyl-2-pentenal and 6-methyl-5-hepten-2-one at atmospheric pressure

    Science.gov (United States)

    Gaona Colmán, Elizabeth; Blanco, María B.; Barnes, Ian; Teruel, Mariano A.

    2015-05-01

    Rate coefficients for the gas-phase reactions of O3 molecules with three unsaturated oxygenated compounds have been determined using the relative kinetic technique in an environmental chamber with FTIR detection of the reactants at (298 ± 2) K in 760 Torr total pressure of synthetic air. The following rate coefficients (in units of 10-17 cm3 molecule-1 s-1) were determined: ethyl 3,3-dimethyl acrylate (0.82 ± 0.19), 2-methyl-2-pentenal (0.71 ± 0.16) and 6-methyl-5-hepten-2-one (26 ± 7). The different reactivity of the unsaturated oxygenated compounds toward O3 is discussed in terms of their chemical structure. In addition, a correlation between the reactivity of structurally different unsaturated compounds (alkenes and unsaturated oxygenated VOCs, such as ethers, esters, aldehydes, ketones and alcohols) toward O3 molecules and the HOMO (Highest Occupied Molecular Orbital) of the compounds is presented. Using the kinetic parameters determined in this work, residence times of these unsaturated compounds in the atmosphere with respect to reaction with O3 have been calculated. In urban and rural areas the main sink of 6-methyl-5-hepten-2-one is reaction with O3 molecules with a residence time in the order of few minutes.

  14. Vapor intrusion risk of fuel ether oxygenates methyl tert-butyl ether (MTBE), tert-amyl methyl ether (TAME) and ethyl tert-butyl ether (ETBE): A modeling study.

    Science.gov (United States)

    Ma, Jie; Xiong, Desen; Li, Haiyan; Ding, Yi; Xia, Xiangcheng; Yang, Yongqi

    2017-06-15

    Vapor intrusion of synthetic fuel additives represents a critical yet still neglected problem at sites contaminated by petroleum fuel releases. This study used an advanced numerical model to investigate the vapor intrusion potential of fuel ether oxygenates methyl tert-butyl ether (MTBE), tert-amyl methyl ether (TAME), and ethyl tert-butyl ether (ETBE). Simulated indoor air concentration of these compounds can exceed USEPA indoor air screening level for MTBE (110μg/m(3)). Our results also reveal that MTBE has much higher chance to cause vapor intrusion problems than TAME and ETBE. This study supports the statements made by USEPA in the Petroleum Vapor Intrusion (PVI) Guidance that the vertical screening criteria for petroleum hydrocarbons may not provide sufficient protectiveness for fuel additives, and ether oxygenates in particular. In addition to adverse impacts on human health, ether oxygenate vapor intrusion may also cause aesthetic problems (i.e., odour and flavour). Overall, this study points out that ether oxygenates can cause vapor intrusion problems. We recommend that USEPA consider including the field measurement data of synthetic fuel additives in the existing PVI database and possibly revising the PVI Guidance as necessary.

  15. Experimental and theoretical studies of the molecular structure of 7-Methyl-3-[(3-methyl-3-mesityl-cyclobutyl]-5-phenyl-5H-thiazolo[3,2-α]pyrimidine-6-carboxylic acid ethyl ester

    Science.gov (United States)

    Acar, Betül; Yilmaz, Ibrahim; Çalışkan, Nezihe; Cukurovali, Alaaddin

    2017-07-01

    In this work, the title molecule, 7-Methyl-3-[(3-methyl-3-mesityl-cyclobutyl]-5-phenyl-5H-thiazolo[3,2-α]pyrimidine-6-carboxylic acid ethyl ester (C30H34N2O2S1), was synthesized and characterized by FT-IR spectroscopy and single crystal X-ray diffraction. The compound crystallizes in the triclinic space group P21/c. with Z = 4, a = 14.1988(6), b = 19.0893(5), c = 10.1325(4) Å, V = 2674.56(17) A3. The optimized structure parameters of the studied molecule was determined theoretically using HF/6-31G(d) and B3LYP/6-31G(d) methods for ground state, and compared with previously reported experimental findings. The calculated harmonic vibrational frequencies are scaled and they are compared with experimental frequencies obtained by FT-IR spectra. The electronic properties, such as HOMO and LUMO energies, and molecular electrostatic potential (MEP) are also performed.

  16. Determination of low level methyl tert-butyl ether, ethyl tert-butyl ether and methyl tert-amyl ether in human urine by HS-SPME gas chromatography/mass spectrometry.

    Science.gov (United States)

    Scibetta, Licia; Campo, Laura; Mercadante, Rosa; Foà, Vito; Fustinoni, Silvia

    2007-01-02

    Methyl tert-butyl ether (MTBE), ethyl tert-butyl ether (ETBE) and tert-amyl methyl ether (TAME) are oxygenated compounds added to gasoline to enhance octane rating and to improve combustion. They may be found as pollutants of living and working environments. In this work a robotized method for the quantification of low level MTBE, ETBE and TAME in human urine was developed and validated. The analytes were sampled in the headspace of urine by SPME in the presence of MTBE-d12 as internal standard. Different fibers were compared for their linearity and extraction efficiency: carboxen/polydimethylsiloxane, polydimethylsiloxane/divinylbenzene, and polydimethylsiloxane. The first, although highly efficient, was discarded due to deviation of linearity for competitive displacement, and the polydimethylsiloxane/divinylbenzene fiber was chosen instead. The analysis was performed by GC/MS operating in the electron impact mode. The method is very specific, with range of linearity 30-4600 ng L(-1), within- and between-run precision, as coefficient of variation, ethers was evaluated analysing the specimens of seven traffic policemen exposed to autovehicular emissions: using the calibration curve and the method of standard additions comparable levels of MTBE (68-528 ng L(-1)), ETBE (<6 ng L(-1)), and TAME (<6 ng L(-1)) were obtained.

  17. Single-walled carbon nanotubes as an effective adsorbent in solid-phase microextraction of low level methyl tert-butyl ether, ethyl tert-butyl ether and methyl tert-amyl ether from human urine.

    Science.gov (United States)

    Rastkari, Noushin; Ahmadkhaniha, Reza; Yunesian, Masud

    2009-05-15

    Carbon nanotubes (CNTs) are a kind of new carbon-based nano-materials which have drawn great attention in many application fields. The potential single-walled carbon nanotubes (SWCNTs) as solid-phase microextraction (SPME) adsorbents for the preconcentration of environmental pollutants have been investigated in recent years. The goal of this work was to investigate the feasibility of SWCNTs used as adsorbents for solid-phase microextraction of methyl tert-butyl ether (MTBE), ethyl tert-butyl ether (ETBE) and tert-amyl methyl ether (TAME) in human urine. SWCNTs were attached onto a stainless steel wire through organic binder. Potential factors affecting the extraction efficiency were optimized, including extraction time, extraction temperature, desorption time, desorption temperature, and salinity. The developed method showed good performance according to the ICH performance criteria for bioanalytical methods. The calibration curves of the ethers were linear (r(2)>or=0.992) in the range from 10 to 5000 ng L(-1). The limits of detection at a signal-to-noise (S/N) ratio of 3 were 10 ng L(-1) for all the analytes. In addition, compared with the commercial carboxen/polydimethylsiloxane (CAR/PDMS) fiber, the SWCNT fiber showed better thermal stability (over 350 degrees C) and longer life span (over 150 times). The developed method was applied successfully to determine trace level of the ethers in urine of 10 healthy male volunteers.

  18. Reanalysis of the ground and three torsional excited states of trans-ethyl methyl ether by using an IAM-like tunneling matrix formalism

    Science.gov (United States)

    Kobayashi, Kaori; Sakai, Yusuke; Tsunekawa, Shozo; Miyamoto, Taihei; Fujitake, Masaharu; Ohashi, Nobukimi

    2016-03-01

    The trans-ethyl methyl ether has two inequivalent methyl internal rotors and shows tunneling splittings of maximum up to five components. However, the barrier of these two internal rotation potentials were relatively high and the five components were not resolved in the ground state microwave spectra. In this study, well-resolved Fourier transform microwave ground state spectrum was measured for the first time to resolve the five components. The ground state microwave spectra were reanalyzed based on these new measurements and the additional millimeter-wave spectra as well as those studied previously by Fuchs et al. Ninety Fourier transform microwave spectral lines were assigned to 107 transitions in the ground state and 3508 conventional microwave absorption lines were assigned up to Ka = 16 of the ground state, including all 707 lines reported by Fuchs et al. In addition, 10 transitions were observed by the double resonance experiment. They were least-squares-analyzed by the use of an internal axis method (IAM)-like tunneling matrix formalism based on an extended permutation-inversion group theoretical idea. Twenty-two molecular parameters composed of rotational constants, centrifugal distortion constants, internal rotation parameters and internal rotation tunneling parameters were determined for the ground state. The microwave spectra in the three torsionally excited states, that is, the ν28 = 1 C-CH3 torsional state, the ν29 = 1 O-CH3 torsional state and the ν30 = 1 skeletal torsional state, were also reanalyzed by using the IAM-like tunneling matrix formalism and somewhat extended line assignments.

  19. Evaluation of microwave irradiation for analysis of carbonyl sulfide, carbon disulfide, cyanogen, ethyl formate, methyl bromide, sulfuryl fluoride, propylene oxide, and phosphine in hay.

    Science.gov (United States)

    Ren, Yonglin; Mahon, Daphne

    2007-01-10

    Fumigant residues in hay were "extracted" by microwave irradiation. Hay, in gastight glass flasks, was placed in a domestic microwave oven, and fumigants were released into the headspace by microwave irradiation. Power settings for maximum release of fumigants were determined for carbonyl sulfide (COS), carbon disulfide (CS(2)), cyanogen (C(2)N(2)), ethyl formate (EF), methyl bromide (CH(3)Br), sulfuryl fluoride (SF), propylene oxide (PPO), and phosphine (PH(3)). Recoveries of fortified samples were >91% for COS, CS(2), CH(3)Br, SF, PPO, and PH(3) and >76% for C(2)N(2) and EF. Completeness of extraction was assessed from the amount of fumigant retained by the microwaved hay. This amount was determined from further microwave irradiation and was always small (<5% of the amount obtained from the initial procedure). Limits of quantification were <0.1 mg/kg for COS, CS(2), C(2)N(2), EF, and PH(3) and <0.5 mg/kg for CH(3)Br, SF, and PPO. These low limits were essentially due to the absence of interference from solvents and no necessity to inject large-volume gas samples. The microwave method is rapid and solvent-free. However, care is required in selecting the appropriate power setting. The safety implications of heating sealed flasks in microwave ovens should be noted.

  20. Continuous hydrogenation of ethyl levulinate to γ-valerolactone and 2-methyl tetrahydrofuran over alumina doped Cu/SiO2 catalyst: the potential of commercialization.

    Science.gov (United States)

    Zheng, Junlin; Zhu, Junhua; Xu, Xuan; Wang, Wanmin; Li, Jiwen; Zhao, Yan; Tang, Kangjian; Song, Qi; Qi, Xiaolan; Kong, Dejin; Tang, Yi

    2016-07-05

    Hydrogenation of levulinic acid (LA) and its esters to produce γ-valerolactone (GVL) and 2-methyl tetrahydrofuran (2-MTHF) is a key step for the utilization of cellulose derived LA. Aiming to develop a commercially feasible base metal catalyst for the production of GVL from LA, with satisfactory activity, selectivity, and stability, Al2O3 doped Cu/SiO2 and Cu/SiO2 catalysts were fabricated by co-precipitation routes in parallel. The diverse physio-chemical properties of these two catalysts were characterized by XRD, TEM, dissociative N2O chemisorptions, and Py-IR methods. The catalytic properties of these two catalysts were systematically assessed in the continuous hydrogenation of ethyl levulinate (EL) in a fixed-bed reactor. The effect of acidic property of the SiO2 substrate on the catalytic properties was investigated. To justify the potential of its commercialization, significant attention was paid on the initial activity, proper operation window, by-products control, selectivity, and stability of the catalyst. The effect of reaction conditions, such as temperature and pressure, on the performance of the catalyst was also thoroughly studied. The development of alumina doped Cu/SiO2 catalyst strengthened the value-chain from cellulose to industrially important chemicals via LA and GVL.

  1. Continuous hydrogenation of ethyl levulinate to γ-valerolactone and 2-methyl tetrahydrofuran over alumina doped Cu/SiO2 catalyst: the potential of commercialization

    Science.gov (United States)

    Zheng, Junlin; Zhu, Junhua; Xu, Xuan; Wang, Wanmin; Li, Jiwen; Zhao, Yan; Tang, Kangjian; Song, Qi; Qi, Xiaolan; Kong, Dejin; Tang, Yi

    2016-07-01

    Hydrogenation of levulinic acid (LA) and its esters to produce γ-valerolactone (GVL) and 2-methyl tetrahydrofuran (2-MTHF) is a key step for the utilization of cellulose derived LA. Aiming to develop a commercially feasible base metal catalyst for the production of GVL from LA, with satisfactory activity, selectivity, and stability, Al2O3 doped Cu/SiO2 and Cu/SiO2 catalysts were fabricated by co-precipitation routes in parallel. The diverse physio-chemical properties of these two catalysts were characterized by XRD, TEM, dissociative N2O chemisorptions, and Py-IR methods. The catalytic properties of these two catalysts were systematically assessed in the continuous hydrogenation of ethyl levulinate (EL) in a fixed-bed reactor. The effect of acidic property of the SiO2 substrate on the catalytic properties was investigated. To justify the potential of its commercialization, significant attention was paid on the initial activity, proper operation window, by-products control, selectivity, and stability of the catalyst. The effect of reaction conditions, such as temperature and pressure, on the performance of the catalyst was also thoroughly studied. The development of alumina doped Cu/SiO2 catalyst strengthened the value-chain from cellulose to industrially important chemicals via LA and GVL.

  2. Molar mass characterization of cationic methyl methacrylate-ethyl acrylate copolymers using size-exclusion chromatography with online multi-angle light scattering and refractometric detection.

    Science.gov (United States)

    Wittgren, Bengt; Welinder, Anette; Porsch, Bedrich

    2003-06-20

    Size-exclusion chromatography (SEC) combined with online multi-angle light scattering (MALS) and refractometric (RI) detection has been employed for the molar mass characterisation of water-insoluble cationic methyl methacrylate-ethyl acrylate copolymers (Eudragit RS and RL). Due to their positive charge, cationic polymers are particularly difficult to separate on a SEC column, in worst cases being completely adsorbed on the oppositely charged packing material. This work has examined how a careful addition of salt (LiCl) to the copolymer solution in ethanol decreases the electrostatic interactions, clearly seen as a decrease in elution volume from the SEC column as well as an improved recovery. At a certain level of ionic strength, typically about 50 mM, the copolymer recovery from the SEC column reached 100% and molar mass distributions corresponding to the complete sample could be obtained. The combined MALS/RI detection gives the opportunity to measure the absolute molar mass independent of recovery and retention. Thus, in this study, it turned out to be a favourable tool for tracing the changes in elution behaviour of the charged copolymer as the ionic strength was increased.

  3. Solution Properties of Water-Soluble “Smart” Poly(N-acryloyl-N′-ethyl piperazine-co-methyl methacrylate

    Directory of Open Access Journals (Sweden)

    G. Roshan Deen

    2012-01-01

    Full Text Available Water-soluble copolymers of N-acryloyl-N′-ethylpiperazine (AcrNEP with methyl methacrylate (MMA were synthesized to high conversion by free-radical solution polymerization. The composition of the copolymers was determined using Fourier Transform Infra-red Spectroscopy (FTIR. Copolymers containing AcrNEP content above 44 mol% were readily soluble in water and exhibited the critical solution temperature behavior. The copolymers were strongly responsive to changes in pH of the external medium due to the presence of tertiary amine functions that could be protonated at low pH. The influence of various factors such as copolymer composition, pH, temperature, salt and surfactant concentration on the LCST of the copolymers were systematically studied. The intrinsic viscosity of the copolymers in dimethyl formamide decreased with increase in temperature due to a decrease in thermodynamic affinity between polymer chains and solvent molecules. The viscosity behavior of the copolymers in sodium chloride solution was similar to that of classical polyelectrolytes and hydrophobically modified polyacrylate systems.

  4. Thin filament activation probed by fluorescence of N-((2-(Iodoacetoxy)ethyl)-N-methyl)amino-7-nitrobenz-2-oxa-1, 3-diazole-labeled troponin I incorporated into skinned fibers of rabbit psoas muscle

    OpenAIRE

    Brenner, B; Kraft, T; Yu, LC; Chalovich, JM

    1999-01-01

    A method is described for the exchange of native troponin of single rabbit psoas muscle fibers for externally applied troponin complexes without detectable impairment of functional properties of the skinned fibers. This approach is used to exchange native troponin for rabbit skeletal troponin with a fluorescent label (N-((2-(iodoacetoxy)ethyl)-N-methyl)amino-7-nitrobenz-2-oxa-1, 3-diazole, IANBD) on Cys(133) of the troponin I subunit. IANBD-labeled troponin I has previously been used in solut...

  5. Molecular basis of neuroprotective activities of rasagiline and the anti-Alzheimer drug TV3326 [(N-propargyl-(3R)aminoindan-5-YL)-ethyl methyl carbamate].

    Science.gov (United States)

    Youdim, M B; Weinstock, M

    2001-12-01

    Rasagiline (N-propargyl-1-(R)-aminoindan) is a selective, irreversible monoamine oxidase B (MAO B) inhibitor which has been developed as an anti-Parkinson drug. In controlled monotherapy and as adjunct to L-dopa it has shown anti-Parkinson activity. In cell culture (PC-12 and neuroblastoma SH-SY5Y cells) it exhibits neuroprotective and anti-apoptotic activity against several neurotoxins (SIN-1, MPTP, 6-hydroxydopamine and N-methyl-(R)-salsolinol) and ischemia. In vivo, it reduces the sequelae of traumatic brain injury in mice and speeds their recovery. The neuroprotective activity of rasagaline does not result from MAO B inhibition, since its S-enantiomer, TVP1022, which has 1000-fold weaker MAO inhibitory activity, exhibits similar neuroprotective properties. Introduction of a carbamate moiety into the rasagiline molecule to confer cholinesterase inhibitory activity for the treatment of Alzheimer's disease, resulted in compounds TV3326 [(N-Propargyl-(3R)Aminoindan-5-YL)-Ethyl Methyl Carbamate] and its S-enantiomer TV3279 [(N-Propargyl-(3S)Aminoindan-5-YL)-Ethyl Methyl Carbamate], which retain the neuroprotective activities of rasagiline and TVP1022. They also antagonize scopolamine-induced impairments in spatial memory. In addition, TV3326 exhibits brain-selective MAO A and B inhibitory activity after chronic administration and has antidepressant-like activity in the forced swim test. This is associated with an increase in brain levels of serotonin. The anti-apoptotic activity of these propargylamine-containing derivatives may be related to their ability to delay the opening of voltage-dependent anion channels (VDAC), which are part of the mitochondrial permeability transition pore. The propargylamine moiety is responsible for the increase in the mitochondrial family of Bcl-2 proteins, prevention in the fall in mitochondrial membrane potential, prevention of the activation of caspase 3, and of translocation of glyceraldehyde-3-phosphate dehydrogenase from the

  6. GC-MS法测定水体中甲基汞和乙基汞%Determination of Methyl Mercury and Ethyl Mercury in Water Sample by GC-MS Method

    Institute of Scientific and Technical Information of China (English)

    刘平年; 王珍

    2013-01-01

    用巯基棉富集,四乙基硼化钠衍生,气相色谱-质谱联用法测定水体中的甲基汞和乙基汞,线性范围为10~150 ng/L,线性范围内的重复性相对标准偏差(n=10)甲基汞为4.63%,乙基汞为5.52%,方法回收率甲基汞为99.00%~103.01%,乙基汞为85.49%~97.59%。通过四乙基硼化钠衍生把甲基汞和乙基汞化转化成全烷基化合物,降低了甲基汞和乙基汞的活性,减少甲基汞和乙基汞在色谱柱上的吸附和峰拖尾的现象。方法适合实验室大批量样品的测定。%It was set up for determination of methyl mercury and ethyl mercury in water by gas chromatography-mass spectrometer with preconcentration by sulfhydryl cotton and derivation by tetraethyl sodium borohydride. The test range was 10-150 ng/L, the repeatability in linearity(n=10)was 4.63%for methyl mercury and 5.52%for ethyl mercury. The spike recovery was 99.00%-103.01%for methyl mercury and 85.49%-97.59%for ethyl mercury. The methyl mercury and ethyl mercury were transferred to full alkyl compounds by tetraethyl sodium borohydride in the method, which could reduce the absorption of methyl mercury and ethyl mercury and peak tailing in chromatograph column. The method was fit for determining samples in large number.

  7. Determination of low level methyl tert-butyl ether, ethyl tert-butyl ether and methyl tert-amyl ether in human urine by HS-SPME gas chromatography/mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Scibetta, Licia [Department of Occupational and Environmental Medicine, University of Milano and Fondazione IRCCS Ospedale Maggiore Policlinico, Mangiagalli e Regina Elena, Via S. Barnaba, 8-20122 Milan (Italy); Campo, Laura [Department of Occupational and Environmental Medicine, University of Milano and Fondazione IRCCS Ospedale Maggiore Policlinico, Mangiagalli e Regina Elena, Via S. Barnaba, 8-20122 Milan (Italy); Mercadante, Rosa [Department of Occupational and Environmental Medicine, University of Milano and Fondazione IRCCS Ospedale Maggiore Policlinico, Mangiagalli e Regina Elena, Via S. Barnaba, 8-20122 Milan (Italy); Foa, Vito [Department of Occupational and Environmental Medicine, University of Milano and Fondazione IRCCS Ospedale Maggiore Policlinico, Mangiagalli e Regina Elena, Via S. Barnaba, 8-20122 Milan (Italy); Fustinoni, Silvia [Department of Occupational and Environmental Medicine, University of Milano and Fondazione IRCCS Ospedale Maggiore Policlinico, Mangiagalli e Regina Elena, Via S. Barnaba, 8-20122 Milan (Italy)]. E-mail: silvia.fustinoni@unimi.it

    2007-01-02

    Methyl tert-butyl ether (MTBE), ethyl tert-butyl ether (ETBE) and tert-amyl methyl ether (TAME) are oxygenated compounds added to gasoline to enhance octane rating and to improve combustion. They may be found as pollutants of living and working environments. In this work a robotized method for the quantification of low level MTBE, ETBE and TAME in human urine was developed and validated. The analytes were sampled in the headspace of urine by SPME in the presence of MTBE-d12 as internal standard. Different fibers were compared for their linearity and extraction efficiency: carboxen/polydimethylsiloxane, polydimethylsiloxane/divinylbenzene, and polydimethylsiloxane. The first, although highly efficient, was discarded due to deviation of linearity for competitive displacement, and the polydimethylsiloxane/divinylbenzene fiber was chosen instead. The analysis was performed by GC/MS operating in the electron impact mode. The method is very specific, with range of linearity 30-4600 ng L{sup -1}, within- and between-run precision, as coefficient of variation, <22 and <16%, accuracy within 20% the theoretical level, and limit of detection of 6 ng L{sup -1} for all the analytes. The influence of the matrix on the quantification of these ethers was evaluated analysing the specimens of seven traffic policemen exposed to autovehicular emissions: using the calibration curve and the method of standard additions comparable levels of MTBE (68-528 ng L{sup -1}), ETBE (<6 ng L{sup -1}), and TAME (<6 ng L{sup -1}) were obtained.

  8. Comparative study of the hydrolytic metabolism of methyl-, ethyl-, propyl-, butyl-, heptyl- and dodecylparaben by microsomes of various rat and human tissues.

    Science.gov (United States)

    Ozaki, Hitomi; Sugihara, Kazumi; Watanabe, Yoko; Fujino, Chieri; Uramaru, Naoto; Sone, Tomomichi; Ohta, Shigeru; Kitamura, Shigeyuki

    2013-12-01

    Hydrolytic metabolism of methyl-, ethyl-, propyl-, butyl-, heptyl- and dodecylparaben by various tissue microsomes and plasma of rats, as well as human liver and small-intestinal microsomes, was investigated and the structure-metabolic activity relationship was examined. Rat liver microsomes showed the highest activity toward parabens, followed by small-intestinal and lung microsomes. Butylparaben was most effectively hydrolyzed by the liver microsomes, which showed relatively low hydrolytic activity towards parabens with shorter and longer alkyl side chains. In contrast, small-intestinal microsomes exhibited relatively higher activity toward longer-side-chain parabens, and showed the highest activity towards heptylparaben. Rat lung and skin microsomes showed liver-type substrate specificity. Kidney and pancreas microsomes and plasma of rats showed small-intestinal-type substrate specificity. Liver and small-intestinal microsomal hydrolase activity was completely inhibited by bis(4-nitrophenyl)phosphate, and could be extracted with Triton X-100. Ces1e and Ces1d isoforms were identified as carboxylesterase isozymes catalyzing paraben hydrolysis by anion exchange column chromatography of Triton X-100 extract from liver microsomes. Ces1e and Ces1d expressed in COS cells exhibited significant hydrolase activities with the same substrate specificity pattern as that of liver microsomes. Small-intestinal carboxylesterase isozymes Ces2a and Ces2c expressed in COS cells showed the same substrate specificity as small-intestinal microsomes, being more active toward longer-alkyl-side-chain parabens. Human liver microsomes showed the highest hydrolytic activity toward methylparaben, while human small-intestinal microsomes showed a broadly similar substrate specificity to rat small-intestinal microsomes. Human CES1 and CES2 isozymes showed the same substrate specificity patterns as human liver and small-intestinal microsomes, respectively.

  9. Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture

    Science.gov (United States)

    Spickermann, C.; Thar, J.; Lehmann, S. B. C.; Zahn, S.; Hunger, J.; Buchner, R.; Hunt, P. A.; Welton, T.; Kirchner, B.

    2008-09-01

    In this study we present the results of a first principles molecular dynamics simulation of a single 1-ethyl-3-methyl-imidazolium chloride [C2C1im][Cl] ion pair dissolved in 60 water molecules. We observe a preference of the in plane chloride coordination with respect to the cation ring plane as compared to the energetic slightly more demanding on top coordination. Evaluation of the different radial distribution functions demonstrates that the structure of the hydration shell around the ion pair differs significantly from bulk water and that no true ion pair dissociation in terms of completely autonomous solvation shells takes place on the timescale of the simulation. In addition, dipole moment distributions of the solvent in distinct solvation shells around different functional parts of the [C2C1im][Cl] ion pair are calculated from maximally localized Wannier functions. The analysis of these distributions gives evidence for a depolarization of water molecules close to the hydrophobic parts of the cation as well as close to the anion. Examination of the angular distribution of different OH(H2O )-X angles in turn shows a linear coordination of chloride accompanied by a tangential orientation of water molecules around the hydrophobic groups, being a typical feature of hydrophobic hydration. Based on these orientational aspects, a structural model for the obvious preference of ion pair association is developed, which justifies the associating behavior of solvated [C2C1im][Cl] ions in terms of an energetically favorable interface between the solvation shells of the anion and the hydrophobic parts of the cation.

  10. Ethyl-eicosapentaenoate modulates changes in neurochemistry and brain lipids induced by parkinsonian neurotoxin 1-methyl-4-phenylpyridinium in mouse brain slices.

    Science.gov (United States)

    Meng, QingJia; Luchtman, Dirk W; El Bahh, Bouchaib; Zidichouski, Jeffrey A; Yang, Jun; Song, Cai

    2010-12-15

    Evidence suggests a link between Parkinson's disease and the dietary intake of omega (n)-3 and n-6 polyunsaturated fatty acids (PUFAs). Presently, we investigated whether an acute dose of parkinsonian neurotoxin 1-methyl-4-phenylpyridinium (MPP(+)) affects brain n-3 and n-6 PUFA content and expression of fatty acid metabolic enzymes cytosolic phospholipase A2 (cPLA2) and cyclooxygenase-2 (COX-2) in brain slices from C57Bl/6 mice. Furthermore, we investigated whether feeding a diet of n-3 PUFA ethyl-eicosapentaenoate (E-EPA) to these mice can attenuate the MPP(+) induced changes in brain PUFA content and expression of cPLA2 and COX-2, and attenuate MPP(+) induced changes in neurotransmitters and metabolites and apoptotic markers, bax, bcl-2 and caspase-3. MPP(+) increased brain content of n-6 PUFAs linoleic acid and arachidonic acid, and increased the mRNA expression of cPLA2. MPP(+) also depleted striatal dopamine levels and increased dopamine turnover, and depleted noradrenaline levels in the frontal cortex. The neurotoxin induced increases in bax, bcl-2 and caspase-3 mRNA expression that approached significance. E-EPA by itself increased brain n-3 content, including EPA and docosapentaenoic acid (C22:5, n-3), and increased cortical dopamine. More importantly, E-EPA attenuated the MPP(+) induced increase in n-6 fatty acids content, partially attenuated the striatal dopaminergic turnover, and prevented the increases of pro-apoptotic bax and caspase-3 mRNAs. In conclusion, increases in n-6 PUFAs in the acute stage of exposure to parkinsonian neurotoxins may promote pro-inflammatory conditions. EPA may provide modest beneficial effects in Parkinson's disease, but further investigation is warranted.

  11. Graphene-Fiber-Based Supercapacitors Favor N-Methyl-2-pyrrolidone/Ethyl Acetate as the Spinning Solvent/Coagulant Combination.

    Science.gov (United States)

    He, Nanfei; Pan, Qin; Liu, Yixin; Gao, Wei

    2017-07-26

    One-dimensional flexible fiber supercapacitors (FSCs) have attracted great interest as promising energy-storage units that can be seamlessly incorporated into textiles via weaving, knitting, or braiding. The major challenges in this field are to develop tougher and more efficient FSCs with a relatively easy and scalable process. Here, we demonstrate a wet-spinning process to produce graphene oxide (GO) fibers from GO dispersions in N-methyl-2-pyrrolidone (NMP), with ethyl acetate as the coagulant. Upon chemical reduction of GO, the resulting NMP-based reduced GO (rGO) fibers (rGO@NMP-Fs) are twice as high in the surface area and toughness but comparable in tensile strength and conductivity as that of the water-based rGO fibers (rGO@H2O-Fs). When assembled into parallel FSCs, rGO@NMP-F-based supercapacitors (rGO@NMP-FSCs) offered a specific capacitance of 196.7 F cm(-3) (147.5 mF cm(-2)), five times higher than that of rGO@H2O-F-based supercapacitors (rGO@H2O-FSCs) and also higher than most existing wet-spun rGO-FSCs, as well as those FSCs built with metal wires, graphene/carbon nanotube (CNT) fibers, or even pseudocapacitive materials. In addition, our rGO@NMP-FSCs can provide good bending and cycling stability. The energy density of our rGO@NMP-FSCs reaches ca. 6.8 mWh cm(-3), comparable to that of a Li thin-film battery (4 V/500 μAh).

  12. Responses of enzymatic antioxidants and non-enzymatic antioxidants in the cyanobacterium Microcystis aeruginosa to the allelochemical ethyl 2-methyl acetoacetate (EMA) isolated from reed (Phragmites communis).

    Science.gov (United States)

    Hong, Yu; Hu, Hong-Ying; Xie, Xing; Li, Feng-Min

    2008-08-25

    Macrophytic allelochemicals are considered an environment-friendly and promising alternative to control algal bloom. However, studies examining the potential mechanisms of inhibitory allelochemicals on algae are few. The allelochemical ethyl 2-methyl acetoacetate (EMA), isolated from reed (Phragmites communis), was a strong allelopathic inhibitor on the growth of Microcystis aeruginosa. EMA-induced antioxidant responses were investigated in the cyanobacterium M. aeruginosa to understand the mechanism of EMA inhibition on algal growth. The activities of enzymatic antioxidants superoxide dismutase (SOD) and catalase (CAT), and the contents of non-enzymatic antioxidants reduced glutathione (GSH) and ascorbic acid (AsA) of M. aeruginosa cells were analyzed after treatments with different concentrations of EMA. Exposure of M. aeruginosa to EMA caused changes in enzyme activities and contents of non-enzymatic antioxidants in different manners. The decrease in SOD activity occurred first after 4 h of EMA exposure, and more markedly after 40 h. CAT activity did not change after 4 h of EMA exposure, but increased obviously after 40 h. The contents of AsA and GSH were increased greatly by EMA after 4 h. After 60 h, low EMA concentrations still increased the CAT activity and the contents of AsA and GSH, but high EMA concentrations started to impose a marked suppression on them. EMA increased dehydroascorbate (DHAsA) and oxidized glutathione (GSSG) contents during all exposure times. After 60 h, the regeneration rates of AsA and GSH (represented by the AsA/DHAsA ratio and GSH/GSSG ratio, respectively) were reduced by high EMA concentrations. These results suggest that the activation of CAT and the availability of AsA and GSH at early exposure are important to counteract the oxidative stress induced by EMA, and the inactivation of SOD may be crucial to the growth inhibition of M. aeruginosa by EMA.

  13. Synthesis and Physical and Chemical Properties of Hypergolic Chemicals such as N,N,N-Trimethylhydrazinium and 1-Ethyl-4-Methyl-1,2,4-Triazolium Salts

    Directory of Open Access Journals (Sweden)

    Young-Seok Kim

    2015-12-01

    Full Text Available Hypergolic chemicals N,N,N-trimethylhydrazinium iodide, [TMH]+[I]−, and 1-ethyl-4-methyl-1,2,4-triazolium iodide, [EMT]+[I]− were firstly synthesized by nucleophilic substitution (SN2. The successful synthesis of hypergolic chemicals [TMH]+[I]− and [EMT]+[I]− was confirmed by IR and 1H-NMR spectroscopy and, GC-mass spectrometry. Subsequently the hypergolic chemicals [TMH]+[X]− (X = CN−, N3−, NO3−, NO2−, ClO4−, AlCl4− were prepared via an ion exchange reaction from [TMH]+[I]− and [EMT]+[I]−, respectively. After that, a mixture of hypergolic chemicals was prepared by dissolving the synthesized hypergolic chemicals in 2-hydroxyethylhydrazine (HOCH2CH2NHNH2. The physical and chemical properties of the mixture such as decomposition temperature (Td, density (d, viscosity (η, and decomposition energy (ΔHd was then evaluated to determine suitability for use as liquid rocket fuels. The ignition delay (ID time of the mixture of hypergolic chemicals with [TMH]+[N3]− and [TMH]+[CN]− using H2O2 as an oxidizer was determined as 55.6 ms and 97.4 ms; respectively. The ID time of the mixture of hypergolic chemicals with [EMT]+[N3]−; [EMT]+[CN]−; [EMT]+[AlCl4]−; and [EMT]+[I]− using H2O2 as an oxidizer was also determined as 18.0 ms; 32.6 ms; 27.6 ms; and 7.96 ms; respectively. The synthesized mixture of hypergolic chemicals could thus be used as a rocket propellant liquid fuel.

  14. Thermodynamic properties of ternary mixtures of 1-ethyl-3-methylimidazolium tetrafluoroborate with 1-methyl pyrrolidin-2-one or pyrrolidin-2-one + water

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, V.K., E-mail: v_sharmachem58@rediffmail.com [Department of Chemistry, M. D. University, Rohtak, Haryana (India); Bhagour, S. [Department of Chemistry, M. D. University, Rohtak, Haryana (India); Sharma, D. [P.D.M. College of Engineering for Women, Bahadurgarh, Haryana (India); Solanki, S. [Department of Chemistry, M. D. University, Rohtak, Haryana (India)

    2013-07-10

    Highlights: • The V{sub ijk}{sup E} and (κ{sub S}{sup E}){sub ijk} data have been measured over entire mole fraction at 4 temperature. • The V{sub ijk}{sup E} and (κ{sub S}{sup E}){sub ijk} data have been fitted to Redlich–Kister equation. • The observed data have been analyzed in terms of Graph theory. • The V{sub ijk}{sup E} and (κ{sub S}{sup E}){sub ijk} values predicted by Graph theory compare well with experimental values. - Abstract: Densities, ρ{sub ijk} and speeds of sound, u{sub ijk} of 1-ethyl-3-methylimidazolium tetrafluoroborate (i) + 1-methyl pyrrolidin-2-one or pyrrolidin-2-one (j) + water (k) ternary mixtures have been measured over the complete mole fraction range at 293.15, 298.15, 303.15, and 308.15 K using density and speed of sound analyzer (Anton Paar DSA 5000). The heat capacity, Cp of water at 293.15, 298.15, 303.15, and 308.15 K have also been measured using differential scanning calorimeter (Model – μDSC 7 Evo). The measured data have been employed to determine excess molar volumes, V{sub ijk}{sup E} and excess isentropic compressibilities, (κ{sub S}{sup E}){sub ijk}. The V{sub ijk}{sup E} and (κ{sub S}{sup E}){sub ijk} data have been fitted to Redlich–Kister equation to calculate ternary adjustable parameters and standard deviations. The observed thermodynamic properties of the ternary mixtures have been analyzed in terms of Graph theory. It has been observed that Graph theory successfully describes well V{sub ijk}{sup E} and (κ{sub S}{sup E}){sub ijk} data of the studied ternary ionic liquid mixtures.

  15. Protective effects of luteolin-7-O-beta-D-glucuronide methyl ester from the ethyl acetate fraction of Lycopi Herba against pro-oxidant reactive species and low-density lipoprotein peroxidation.

    Science.gov (United States)

    Lee, Min-Ja; Lee, Hye-Sook; Park, Sun-Dong; Moon, Hyung-In; Park, Won-Hwan

    2010-10-01

    In this study the potent scavenging activity of "Lycopi Herba" (LH) extract was studied using the following: evaluation of the total phenolics, measuring the antioxidant activity by Trolox equivalent antioxidant concentration, measuring the scavenging effects on reactive oxygen species, on reactive nitrogen species, and measuring the inhibitory effect on Cu(2+) induced human low-density lipoprotein oxidation in vitro. The ethyl acetate fraction from the LH extracts were found to have a potent scavenging activity against all of the reactive species tested, as well as an inhibitory effect on LDL oxidation. Therefore, we isolated and identified luteolin-7-O-beta-D-glucuronide methyl ester as the major compound from the ethyl acetate fraction of LH and their antioxidant activities were evaluated.

  16. Synthesis of ethyl methyl carbonate catalyzed by basic ionic liquids%碱性离子液体催化合成碳酸甲乙酯

    Institute of Scientific and Technical Information of China (English)

    刘勇; 刘涛; 陈蔚萍

    2015-01-01

    以碱性离子液体为催化剂,对碳酸二甲酯(DMC)和碳酸二乙酯(DEC)酯交换反应合成碳酸甲乙酯进行了研究.筛选出高催化活性的碱性离子液体1‐丁基‐3甲基咪唑丁酸盐([C4 mim][CH3(CH2)2 COO])为催化剂,详细考察了反应时间、温度、催化剂用量、原料配比等因素对酯交换反应的影响.实验结果表明,在反应温度为90℃,催化剂用量为6%(占反应物总质量百分数),n(DMC)∶ n(DEC)=1.5∶1,反应时间为5 h 时,DEC 的转化率高达48%.[C4 mim][CH3(CH2)2 COO]重复利用5次后仍保持较高的催化活性.%The synthesis of ethyl methyl carbonate (EMC) by transesterification of dimethyl carbonate (DMC) and diethyl carbonate (DEC) in the presence of alkaline ionic liquids as cata‐lysts was studied ,in which alkaline ionic liquid 1‐butyl‐3‐methylimidazolium butyrate ([C4 mim][CH3 (CH2 )2 COO ]) was selected due to its good catalytic performance compared with other alkaline ionic liquids .The effects of reaction time ,temperature ,catalyst loading and mo‐lar ratio of reactants on the conversion of the DEC were examined .Under the suitable reaction conditions of reaction temperature 90 ℃ ,catalyst dosage 6% (based on the total mass of the re‐actants) ,n(DMC) ∶ n(DEC) = 1 .5 ∶ 1 ,reaction time 5 h ,the conversion of DEC was 48% . After alkaline ionic liquid [C4 mim ][CH3 (CH2 )2 COO ] was recovered and reused five times without obvious loss of its catalytic activity .

  17. Rat Pig-a mutation assay responds to the genotoxic carcinogen ethyl carbamate but not the non-genotoxic carcinogen methyl carbamate.

    Science.gov (United States)

    Bemis, Jeffrey C; Labash, Carson; Avlasevich, Svetlana L; Carlson, Kristine; Berg, Ariel; Torous, Dorothea K; Barragato, Matthew; MacGregor, James T; Dertinger, Stephen D

    2015-05-01

    Determination of the mode of action of carcinogenic agents is an important factor in risk assessment and regulatory practice. To assess the ability of the erythrocyte-based Pig-a mutation assay to discriminate between genotoxic and non-genotoxic modes of action, the mutagenic response of Sprague Dawley rats exposed to methyl carbamate (MC) or ethyl carbamate (EC) was investigated. EC, a potent carcinogen, is believed to induce DNA damage through the formation of a DNA-reactive epoxide group, whereas the closely structurally related compound, MC, cannot form this epoxide and its weaker carcinogenic activity is thought to be secondary to inflammation and promotion of cell proliferation. The frequency of Pig-a mutant phenotype cells was monitored before, during, and after 28 consecutive days of oral gavage exposure to either MC (doses ranging from 125 to 500 mg/kg/day) or EC (250 mg/kg/day). Significant increases in the frequency of mutant reticulocytes were observed from Days 15 through 43, with a peak mean frequency of 19.9×10(-6) on Day 29 (i.e. 24.9-fold increase relative to mean vehicle control across all four sampling times). As expected, mutant erythrocyte responses lagged behind mutant reticulocyte responses, with a maximal mean frequency of 8.2×10(-6) on Day 43 (i.e. 16.4-fold increase). No mutagenic effects were observed with MC. A second indicator of in vivo genotoxicity, peripheral blood micronucleated reticulocytes, was also studied. This endpoint was responsive to EC (3.3-fold mean increase), but not to MC. These results support the hypothesis that genotoxicity contributes to the carcinogenicity of EC but not of MC, and illustrates the value of the Pig-a assay for discriminating between genotoxic and non-genotoxic modes of action. © The Author 2015. Published by Oxford University Press on behalf of the UK Environmental Mutagen Society. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  18. Modified montmorillonite as a heterogeneous catalyst in (m)ethyl esterification reaction of lauric acid; Montmorilonita modificada como catalisador heterogeneo em reacoes de esterificacao (M)etilica de acido laurico

    Energy Technology Data Exchange (ETDEWEB)

    Zatta, Leandro; Nepel, Angelita; Barison, Andersson; Wypych, Fernando, E-mail: wypych@ufpr.br [Departamento de Quimica, Universidade Federal do Parana (UFPR), Curitiba , PR (Brazil)

    2012-07-01

    Montmorillonite was modified with zirconium polyoxycations in the presence of ammonium sulphate. The material was characterized and used as a catalyst in the esterification of lauric acid, the reactions being accompanied by 2{sup 3} factorial design. Conversions of up to 95.33 and 83.35% were observed for the methyl and ethyl esterification reactions respectively, proving superior to results obtained by thermal conversion. The material was submitted to three reaction cycles and similar conversions were observed, indicating the catalyst is not significantly deactivated after reuse. The catalyst was also tested under reflux conditions, yielding a maximum conversion of 36.86%. (author)

  19. “浮压操作”在甲乙酮装置脱丁烷塔的应用%Application of floating pressure operation on debutanizers in methyl ethyl ketone device

    Institute of Scientific and Technical Information of China (English)

    张建勇; 潘立学

    2013-01-01

    This article will make use of the concept and principles of floating pressure operations and realized the stable operations of debutanizers in Methyl ethyl ketone device by improving its condition and reducing the problems. As a result, it will provide high-quality products and achieve energy conservation.%  运用浮压操作概念及原理,通过对甲乙酮装置脱丁烷塔影响操作的条件改善,实现该塔平稳操作,从而实现产品质量高和节能的效果。

  20. 顶空-气相色谱法测定水质中的丙酮和丁酮%Determination of Acetone and Methyl Ethyl Ketone in Water by Gas Chromatography(GC) with Headspace Sampler(HSS)

    Institute of Scientific and Technical Information of China (English)

    贺晓蕾

    2011-01-01

    本文建立顶空-气相色谱法测定水和废水中的丙酮和丁酮的方法,水样测定结果的相对偏差小于5.0%,加标回收率在91%~103%之间,最低检出浓度0.006 mg.L-1。该方法简便,灵敏度更高,重现性好,线性范围宽,精密度和准确度满意,尤其是避免了消耗大量有机试剂,避免二次污染。旨在为实验分析人员提供技术参考依据。%This paper studied a method of determination of acetone and methyl ethyl ketone in water using a gas-chromatograph with a headspace sampler.The relative deviations of the results are less than 5.0%,the percent recoveries of acetone and methyl ethyl ketone in samples are about 91%~103%,and the detection limit of them are both about 0.006 mg.L-1.This methods is sensitive,simple,precise,its repeatability and linearity are much better and avoids using toxic organic solvents.Also,the purpose was to provide lab workers with technical basis.

  1. RECOVERY OF HYDROGEN FROM TAIL GAS OF METHYL ETHYL KETONE DEVICE BY ABSORPTION TECHNOLOGY%采用吸附技术回收甲乙酮装置尾气中的氢气

    Institute of Scientific and Technical Information of China (English)

    秦洋; 曹汉中; 吴双九

    2011-01-01

    According to the composition of tail gas in methyl ethyl ketone device, hydrogen was recovered by cooling process before absorption recovery. Liquid and part of higher alcohols v/ere removed from tail - gas in cooling system, methyl ethyl ketone, see - butyl alcohol and C4 components were removed with three absorption towers at room temperature, while adsorbent was regenerated at high temperature. The volume fraction and recovery rate of product hydrogen reached 99. 99% and 93.75%, respectively.%针对泰州石化公司甲乙酮装置尾气的组成特点,采用前冷却、吸附流程回收其中的氢气。通过冷却脱除尾气中夹带的液体和部分高碳醇;采用三塔吸附操作,在常温下脱除尾气中甲乙酮、仲丁醇及C4组分,高温下使吸附剂再生。装置标定结果表明,氢气的体积分数达到99.99%,回收率高达93.75%。

  2. Methyl Ethyl Ketone Ammoximation over Ti-MWW in a Continuous Slurry Reactor%Ti-MWW催化丁酮氨肟化连续於浆床工艺

    Institute of Scientific and Technical Information of China (English)

    赵松; 谢伟; 刘月明; 吴鹏

    2011-01-01

    The catalytic performance of Ti-MWW/H2O2 system for the ammoximation of methyl ethyl ketone (MEK) to methyl ethyl ketone oxime (MEKO) was investigated in a continuous slurry reactor. The effects of various reaction parameters on the catalytic performance of Ti-MWW were studied in detail. Under the optimized reaction conditions. Ti-MWW showed MEK conversion and MEKO selectivity over 95% and 99%, respectively. Moreover. Ti-MWW can serve as an extremely robust catalyst, exhibiting a longer lifetime in comparison with conventional TS-1.%在液相连续赞浆床反应器中,Ti-MW WIH202体系表现出较高的催化丁酮氨肪化制备丁酮肠的活性,详细考察了各反应条件对Ti-MWW分子筛催化性能的影响.结果表明,在优化的反应条件下,丁酮转化率和丁酮肪选择性分别达95%和99%以上;均优于传统的铁硅分子筛TS-1,且稳定性也更高.

  3. Synthesis, crystal structure, insecticidal activity and DFT study on the geometry and vibration of O-( E)-1-{1-[(6-chloropyridin-3-yl)methyl]-5-methyl-1 H-1,2,3-triazol-4-yl}ethyleneamino- O-ethyl- O-phenylphosphorothioate

    Science.gov (United States)

    Shi, De-Qing; Zhu, Xiao-Fei; Song, Yuan-Zhi

    2008-12-01

    The title compound, O-( E)-1-{1-[(6-chloropyridin-3-yl)methyl]-5-methyl-1 H-1,2,3-triazol-4-yl}ethyleneamino- O-ethyl- O-phenylphosphorothioate, has been synthesized via the condensation reaction of 1-{1-[(6-chloropyridin-3-yl)methyl]-5-methyl-1 H-1,2,3-triazol-4-yl}ethanone oxime and O-ethyl- O-phenylphosphorochloridothioate in the presence of NaOH powder in refluxing EtOH. Its structure was characterized by 1H NMR, FTIR, Raman, elemental analysis and X-ray single crystal diffraction. The results of preliminary bioassays indicated that the title compound displays good insecticidal activity. Density functional (DFT) calculations have been carried out for the title compound by using the Becke-Lee-Yang-Parr's three-parameter hybrid functional (B3LYP) method at 6-31G** and 6-31G* basis sets. The calculated results show that the predicted geometry can well reproduce the structural parameters. The vibrational wave numbers of the title compound were calculated at same level. Predicted vibrational frequencies have been assigned and compared with experimental IR and Raman spectra and they are supported each other.

  4. Determination of Vanillin, Methyl Vanillin and Ethyl Vanillin in Milk Powder%奶粉中香兰素、甲基香兰素和乙基香兰素的测定

    Institute of Scientific and Technical Information of China (English)

    籍芳; 孙玉慧; 李天宝; 王春利; 刘炜; 李文斌

    2015-01-01

    建立了同时测定奶粉香兰素、甲基香兰素和乙基香兰素的超高效液相色谱法。样品用水溶解后使用ProElut PXA固相萃取柱进行样品前处理净化,C18柱分离,超高效液相色谱仪进行色谱分析。结果表明,香兰素、甲基香兰素和乙基香兰素在0.5 mg/L~20 mg/L范围内线性关系良好;方法的检出限(S/N=3)分别为0.20、0.25、0.25 mg/L;添加水平在2.5 mg/L~10.0 mg/L时加标回收率为80.3%~102.7%,相对标准偏差为1.85%~4.11%(n=6)。该方法结果准确可靠,可实现奶粉中香兰素、甲基香兰素和乙基香兰素的快速同步分析。%An ultra performance liquid chromatography (UPLC) method was developed for the simultaneous determination of vanillin, methyl vanillin and ethyl vanillin in milk powder. Samples were dissolved with water, purified with solid phase extraction column, separated with C18 column, and determined with ultra performance liquid chromatography. The results showed that there were good linear relationships between peak areas and concentrations of vanillin, methyl vanillin and ethyl vanillin in the range of 0.5 mg/L-20 mg/L, with limits of detection of 0.20 mg/L,0.25 mg/L and 0.25 mg/L, respectively. The recoveries at spiked levels of 2.5 mg/L-10.0 mg/L were in the range of 80.3%-102.7%, with the relative standard deviations (RSDs, n=6) of 1.85%-4.11%. The method was sensitive and reliable, and could achieve the fast simultaneous analysis of vanillin, methyl vanillin and ethyl vanillin in milk powder.

  5. Clarification of anomalous chiroptical behaviour and determination of the absolute configuration of 1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5 H-2,3-benzodiazepine

    Science.gov (United States)

    Fogassy, Elemér; Ács, Mária; Tóth, Gábor; Simon, Kálmán; Láng, Tibor; Ladányi, L.; Párkányi, L.

    1986-09-01

    An optically active hydrogen bromide salt of 1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5 H-2,3-benzodiazepine has been prepared and the R5 configuration studied by single-crystal X-ray analysis. The crystals are triclinic with space group P1, with two molecules in a unit cell of dimensions a = 10.798(1), b = 12.669(1) and c = 8.681(1) Å, and α = 97.15(1), β = 99.36(1) and γ = 68.74(1)°. The anomalous chiroptical behaviour is explained on the basis of the chiral interactions between the optically active conformers.

  6. Density, dynamic viscosity, and derived properties of binary mixtures of methanol or ethanol with water, ethyl acetate, and methyl acetate at T (293.15, 298.15, and 303.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, Begona; Calvar, Noelia; Gomez, Elena [Chemical Engineering Department, University of Vigo, 36200 Vigo (Spain); Dominguez, Angeles [Chemical Engineering Department, University of Vigo, 36200 Vigo (Spain)], E-mail: admguez@uvigo.es

    2007-12-15

    Densities and dynamic viscosities for methanol or ethanol with water, ethyl acetate, and methyl acetate at several temperatures T = (293.15, 298.15, and 303.15) K have been measured over the whole composition range and 0.1 MPa, along with the properties of the pure components. Excess molar volumes, viscosity deviations, and excess free energy of activation for the binary systems at the above-mentioned temperatures, were calculated and fitted to the Redlich-Kister equation to determine the fitting parameters and the root-mean-square deviations. UNIQUAC equation was used to correlate the experimental viscosity data. The UNIFAC-VISCO method and ASOG-VISCO method, based on contribution groups, were used to predict the dynamic viscosities of the binary mixtures.

  7. Synthesis, Crystal Structure and Fungicidal Activity of 3- ( 4- Chloro- 3- ethyl- 1 -methyl- 1 H- pyrazol- 5-yl ) - 6- (E) phenylvinyltriazolo [ 3, 4-b ] - 1,3, 4-thiadiazole

    Institute of Scientific and Technical Information of China (English)

    陈寒松; 李正名; 杨小平; 王宏根; 姚心侃

    2000-01-01

    The crystal structure of the title compound 3-(4-Chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)-6- (E) phenylvinyltriazolo [ 3, 4-b ]-1, 3, 4-thiadiazole ( C17 H15ClN6S, Mr = 370.87) was determined by single crystal X-ray diffraction. The crystal ismonoclinic, space group P21/n, a = 10.862(2), b = 11.541(2), c = 14.994(3) A,β=108.41(3)°, V=1783(1) A, Z=4, Dx =1.381g/cm-3, μ=0.3361 mm-1, andF(000) = 768. The results confirmed that the title compound belongs to type E of ste-reochemistry. The dihedral angle between triazole and 1, 3, 4-thiadiaole ring is 3° andthe torsion angle between 1,3, 4-thiadiazole and pyrazole ring is 134.0°.

  8. Volumetric properties of room temperature ionic liquid 1. The system of {l_brace}1-methyl-3-ethylimidazolium ethyl sulfate+water{r_brace} at temperature in the range (278.15 to 333.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Lu Xingmei [Department of Chemistry, Shenyang Normal University, Shenyang 110034 (China); Department of Chemistry, Liaoning University, Shenyang 110036 (China); Xu Weiguo [Institute of Salt Lakes, Chinese Academy of Science, Xining 810008 (China); Gui Jinsong [Department of Chemistry, Shenyang Normal University, Shenyang 110034 (China); Li Huawei [Department of Chemistry, Shenyang Normal University, Shenyang 110034 (China); Yang Jiazhen [Institute of Salt Lakes, Chinese Academy of Science, Xining 810008 (China)]. E-mail: jzyanglnu@yahoo.com.cn

    2005-01-01

    This paper reports densities of aqueous solutions of ionic liquid (IL) 1-methyl-3-ethylimidazolium ethyl sulfate (EMISE) that were measured gravimetrically at temperatures (278.15 to 333.15) K. The values of the apparent molar volume, {sup {phi}}V{sub B} and partial molar volume, V-bar B, were determined and apparent molar expansibilities {sup {phi}}E=(({partial_derivative}{phi}{sub B})/{partial_derivative}T)){sub p} of EMISE and the coefficients of thermal expansion of the solutions, {alpha}, were calculated. The values of the apparent molar volume, {sup {phi}}V{sub B}, were fitted by the method of least-squares to a Pitzer's equation to determine the parameters, {beta}{sub MX}{sup (0)V}, {beta}{sub MX}{sup (1)V}, and C{sub MX}{sup V}.

  9. Synthesis and characterization of 5-(4-hydroxy-3-methoxy-phenyl-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-2,6-dicarboxylic acid 2-ethyl ester 6-methyl ester and its 6-ethyl ester 5-naphthalene derivative

    Directory of Open Access Journals (Sweden)

    H. Nagarajaiah

    2015-11-01

    Full Text Available The compounds 5-(4-hydroxy-3-methoxy-phenyl-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-2,6-dicarboxylic acid 2-ethyl ester 6-methyl ester (2a and 3,7-dimethyl-5-naphthalen-1-yl-5H-thiazolo[3,2-a]pyrimidine-2,6-dicarboxylic acid diethyl ester (2b were synthesized by the base catalyzed cyclocondensation of 3,4-dihydropyrimidine-2-thione with ethylacetoacetate. IR, 1H NMR, 13C NMR spectra and elemental analysis were used to characterize these compounds. The structures were determined by single crystal X-ray diffraction. The crystal structure is stabilized by intermolecular O–H…N, C–H…O, C–H…π and π…π weak interactions.

  10. Synthesis and in vivo evaluation of [O-methyl-{sup 11}C](2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxy)phenyl]ethyl]phenoxy] ethyl-1-methylpyrrolidine as a 5-HT{sub 2A} receptor PET ligand

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, J.S. Dileep [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Div. of Brain Imaging, Dept. of Neuroscience, New York State Psychiatric Institute, New York, NY 10032 (United States)]. E-mail: dk2038@columbia.edu; Prabhakaran, Jaya [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Erlandsson, Kjell [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Dept. of Radiology, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Majo, Vattoly J. [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Simpson, Norman R. [Dept. of Radiology, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Pratap, Mali [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Div. of Brain Imaging, Dept. of Neuroscience, New York State Psychiatric Institute, New York, NY 10032 (United States); Heertum, Ronald L. van [Dept. of Radiology, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States); Mann, J. John [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Dept. of Radiology, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Div. of Brain Imaging, Dept. of Neuroscience, New York State Psychiatric Institute, New York, NY 10032 (United States); Parsey, Ramin V. [Dept. of Psychiatry, College of Physicians and Surgeons, Columbia University, New York, NY 10032 (United States)]|[Div. of Brain Imaging, Dept. of Neuroscience, New York State Psychiatric Institute, New York, NY 10032 (United States)

    2006-05-15

    The serotonin{sub 2A} (5-HT{sub 2A}) receptor is implicated in the pathophysiology of schizophrenia and mood disorders, and in vivo studies of this receptor would be of value in studying the pathophysiology of these disorders and in measuring the relationship of clinical response to receptor occupancy for 5-HT{sub 2A} antagonists such as atypical antipsychotics. Therefore, (2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxy)-phenyl]ethyl] phenoxy]ethyl-1-methylpyrrolidine (MPM) (13), a selective and high-affinity (K {sub i}=0.79 nM) 5HT{sub 2A} antagonist, has been radiolabeled with carbon-11 by O-methylation of the corresponding desmethyl analogue (2R,4R)-4-hydroxy-2-[2-[2-[2-(3-hydroxy)phenyl]ethyl]phenoxy] ethyl-1-methylpyrrolidine (12) with [{sup 11}C]methyltriflate in order to determine the suitability of [{sup 11}C]MPM to quantify 5-HT{sub 2A} in living brain using PET. Desmethyl-MPM 12 and standard MPM were prepared, starting from 3-hydroxymethylphenol (2), in excellent yield. The yield obtained for radiolabeling was 40{+-}5% (EOB), and the total synthesis time was 30 min at EOS. PET studies with [{sup 11}C]MPM in baboon showed a distribution in the brain consistent with the known distribution of 5-HT{sub 2A} receptors. The time-activity curves for the high-binding regions peaked at {approx}45 min after injection. Blocking studies with M100907 demonstrated not only 38-57% blocking of tracer binding in brain regions known to have 5-HT{sub 2A} receptors but also 38% blocking in cerebellum, which has a low 5-HT{sub 2A} receptor concentration. Although [{sup 11}C]MPM exhibits appropriate kinetics in baboon for imaging 5-HT{sub 2A} receptors, its specific binding in cerebellum and higher proportion of nonspecific binding limit its usefulness for the in vivo quantification of 5-HT{sub 2A} receptors with PET.

  11. Bromidotetra­kis­(1H-2-ethyl-5-methyl­imidazole-κN 3)copper(II) bromide

    Science.gov (United States)

    Godlewska, Sylwia; Baranowska, Katarzyna; Socha, Joanna; Dołęga, Anna

    2011-01-01

    The CuII ion in the title compound, [CuBr(C6H10N2)4]Br, is coordinated in a square-based-pyramidal geometry by the N atoms of four imidazole ligands and a bromide anion in the apical site. Both the CuII and Br− atoms lie on a crystallographic fourfold axis. In the crystal, the [CuBr(C6H10N2)4]+ complex cations are linked to the uncoordinated Br− anions (site symmetry ) by N—H⋯Br hydrogen bonds, generating a three-dimensional network. The ethyl group of the imidazole ligand was modelled as disordered over two orientations with occupancies of 0.620 (8) and 0.380 (8). PMID:22199662

  12. New derivatives of 11-methyl-6-[2-(dimethylamino)ethyl]-6H-indolo[2,3-b]quinoline as cytotoxic DNA topoisomerase II inhibitors.

    Science.gov (United States)

    Luniewski, Wojciech; Wietrzyk, Joanna; Godlewska, Joanna; Switalska, Marta; Piskozub, Malgorzata; Peczynska-Czoch, Wanda; Kaczmarek, Lukasz

    2012-10-01

    Novel indolo[2,3-b]quinoline derivatives substituted at N-6 and C-2 or C-9 positions with (dimethylamino)ethyl chains linked to heteroaromatic core by ether, amide or amine bonds, were manufactured and evaluated in vitro for their cytotoxic activity against several cell lines of different origin including multidrug resistant sublines and tested for their ability to influence the cell cycle and inhibit topoisomerase II activity. It was found, that all compounds show cytotoxic activity against cell lines tested, including multidrug resistant LoVo/DX, MES-SA/DX5 and HL-60 sublines. The tested compounds induce the G(2)M phase cell cycle arrest in Jurkat cells, and inhibit topoisomerase II activity.

  13. Action of two alkalating agents, ethyl methyl sulfonate and nitrogenous mustard, on Jerusalem artichoke tissues cultivated in vitro. Protection of these tissues by cysteamin and restoration by kinetin

    Energy Technology Data Exchange (ETDEWEB)

    Jonard, R.

    1968-01-01

    Methane methyl sulfonate and nitrogenous mustard cause an inhibition of the proliferation of the Jerusalem artichoke tissues grown in vitro. The cysteamin which protects those tissues from the effect of X-rays, acts in a protective way solely as regards the toxic effect of nitrogenous mustard. Kinetin, which is an efficient radiorestorer for those tissues, brings back a proliferation of the samples subjected to the effect of nitrogenous mustard. 13 references, 2 tables.

  14. Nonhumidified Fuel Cells Using N-Ethyl-N-methyl-pyrrolidinium Fluorohydrogenate Ionic Liquid-poly(Vinylidene Fluoride-Hexafluoropropylene Composite Membranes

    Directory of Open Access Journals (Sweden)

    Pisit Kiatkittikul

    2015-06-01

    Full Text Available Composite membranes consisting of N-ethyl-N-methylpyrrolidinium fluoro-hydrogenate (EMPyr(FH1.7F ionic liquid and poly(vinylidene fluoride hexafluoro-propylene (PVdF-HFP copolymer were successfully prepared in weight ratios of 5:5, 6:4, and 7:3 using a casting method. The prepared membranes possessed rough surfaces, which potentially enlarged the three-phase boundary area. The EMPyr(FH1.7F/PVdF-HFP (7:3 weight ratio composite membrane had an ionic conductivity of 41 mS·cm-1 at 120 °C. For a single cell using this membrane, a maximum power density of 103 mW·cm-2 was observed at 50 °C under non-humidified conditions; this is the highest power output that has ever been reported for fluorohydrogenate fuel cells. However, the cell performance decreased at 80 °C, which was explained by penetration of the softened composite membrane into gas diffusion electrodes to partially plug gas channels in the gas diffusion layers; this was verified by in situ a.c. impedance analysis and cross-sectional SEM images of the membrane electrode assembly.

  15. Biology-oriented drug synthesis (BIODS) of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl ether derivatives, in vitro α-amylase inhibitory activity and in silico studies.

    Science.gov (United States)

    Taha, Muhammad; Imran, Syahrul; Ismail, Nor Hadiani; Selvaraj, Manikandan; Rahim, Fazal; Chigurupati, Sridevi; Ullah, Hayat; Khan, Fahad; Salar, Uzma; Javid, Muhammad Tariq; Vijayabalan, Shantini; Zaman, Khalid; Khan, Khalid Mohammed

    2017-10-01

    A new library of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl ether derivatives (1-23) were synthesized and characterized by EI-MS and (1)H NMR, and screened for their α-amylase inhibitory activity. Out of twenty-three derivatives, two molecules 19 (IC50=0.38±0.82µM) and 23 (IC50=1.66±0.14µM), showed excellent activity whereas the remaining compounds, except 10 and 17, showed good to moderate inhibition in the range of IC50=1.77-2.98µM when compared with the standard acarbose (IC50=1.66±0.1µM). A plausible structure-activity relationship has also been presented. In addition, in silico studies was carried out in order to rationalize the binding interaction of compounds with the active site of enzyme. Copyright © 2017 Elsevier Inc. All rights reserved.

  16. Glucose utilization in the brain during acute seizure is a useful biomarker for the evaluation of anticonvulsants: effect of methyl ethyl ketone in lithium-pilocarpine status epilepticus rats

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, Akifumi [Division of Health Sciences, Graduate School of Medicine, Osaka University, Osaka, 565-0871 (Japan)], E-mail: yamaaki@sahs.med.osaka-u.ac.jp; Momosaki, Sotaro; Hosoi, Rie [Division of Health Sciences, Graduate School of Medicine, Osaka University, Osaka, 565-0871 (Japan); Abe, Kohji [Division of Health Sciences, Graduate School of Medicine, Osaka University, Osaka, 565-0871 (Japan); Developmental Research Laboratories, Shionogi and Co., Ltd., Toyonaka, Osaka, 561-0825 (Japan); Yamaguchi, Masatoshi [Faculty of Pharmaceutical Sciences, Fukuoka University, Johnan, Fukuoka 814-0180 (Japan); Inoue, Osamu [Division of Health Sciences, Graduate School of Medicine, Osaka University, Osaka, 565-0871 (Japan)

    2009-11-15

    Enhancement of glucose utilization in the brain has been well known during acute seizure in various kinds of animal model of epilepsy. This enhancement of glucose utilization might be related to neural damage in these animal models. Recently, we found that methyl ethyl ketone (MEK) had both anticonvulsive and neuroprotective effects in lithium-pilocapine (Li-pilo) status epilepticus (SE) rat. In this article, we measured the uptake of [{sup 14}C]2-deoxyglucose ([{sup 14}C]DG) in the Li-pilo SE and Li-pilo SE with MEK rat brain in order to assess whether the glucose utilization was a useful biomarker for the detection of efficacy of anticonvulsive compounds. Significant increase of [{sup 14}C]DG uptake (45 min after the injection) in the cerebral cortex, hippocampus, amygdala and thalamus during acute seizure induced by Li-pilo were observed. On the other hand, the initial uptake of [{sup 14}C]DG (1 min after the injection) in the Li-pilo SE rats was not different from the control rats. Therefore, the enhancement of glucose metabolism during acute seizure was due to the facilitation of the rate of phosphorylation process of [{sup 14}C]DG in the brain. Pretreatment with MEK (8 mmol/kg) completely abolished the enhancement of glucose utilization in the Li-pilo SE rats. The present results indicated that glucose utilization in the brain during acute seizure might be a useful biomarker for the evaluation of efficacy of anticonvulsive compounds.

  17. Use of a hand-portable gas chromatograph-toroidal ion trap mass spectrometer for self-chemical ionization identification of degradation products related to O-ethyl S-(2-diisopropylaminoethyl) methyl phosphonothiolate (VX).

    Science.gov (United States)

    Smith, Philip A; Lepage, Carmela R Jackson; Savage, Paul B; Bowerbank, Christopher R; Lee, Edgar D; Lukacs, Michael J

    2011-04-01

    The chemical warfare agent O-ethyl S-(2-diisopropylaminoethyl) methyl phosphonothiolate (VX) and many related degradation products produce poorly diagnostic electron ionization (EI) mass spectra by transmission quadrupole mass spectrometry. Thus, chemical ionization (CI) is often used for these analytes. In this work, pseudomolecular ([M+H](+)) ion formation from self-chemical ionization (self-CI) was examined for four VX degradation products containing the diisopropylamine functional group. A person-portable toroidal ion trap mass spectrometer with a gas chromatographic inlet was used with EI, and both fixed-duration and feedback-controlled ionization time. With feedback-controlled ionization, ion cooling (reaction) times and ion formation target values were varied. Evidence for protonation of analytes was observed under all conditions, except for the largest analyte, bis(diisopropylaminoethyl)disulfide which yielded [M+H](+) ions only with increased fixed ionization or ion cooling times. Analysis of triethylamine-d(15) provided evidence that [M+H](+) production was likely due to self-CI. Analysis of a degraded VX sample where lengthened ion storage and feedback-controlled ionization time were used resulted in detection of [M+H](+) ions for VX and several relevant degradation products. Dimer ions were also observed for two phosphonate compounds detected in this sample.

  18. The Search for a Complex Molecule in a Selected Hot Core Region: A Rigorous Attempt to Confirm trans-Ethyl Methyl Ether toward W51 e1/e2

    CERN Document Server

    Carroll, P Brandon; Blake, Geoffrey A; Apponi, A J; Ziuyrs, L M; Remijan, Anthony

    2014-01-01

    An extensive search has been conducted to confirm transitions of \\textit{trans}-ethyl methyl ether (tEME, C$_2$H$_5$OCH$_3$), toward the high mass star forming region W51 e1/e2 using the 12 m Telescope of the Arizona Radio Observatory (ARO) at wavelengths from 2 mm and 3 mm. In short, we cannot confirm the detection of tEME toward W51 e1/e2 and our results call into question the initial identification of this species by \\citet{FuchsSpace}. Additionally, reevaluation of the data from the original detection indicates that tEME is not present toward W51 e1/e2 in the abundance reported by Fuchs and colleagues. Typical peak-to-peak noise levels for the present observations of W51 e1/e2 were between 10 - 30 mK, yielding an upper limit of the tEME column density of $\\leq$ 1.5 $\\times$ 10$^{15}$ cm$^{-2}$. This would make tEME at least a factor 2 times less abundant than dimethyl ether (CH$_3$OCH$_3$) toward W51 e1/e2. We also performed an extensive search for this species toward the high mass star forming region Sgr...

  19. Poly(methyl methacrylate-acrylonitrile-ethyl acrylate) terpolymer based gel electrolyte for LiNi0.5Mn1.5O4 cathode of high voltage lithium ion battery

    Science.gov (United States)

    Sun, Ping; Liao, Youhao; Xie, Huili; Chen, Tingting; Rao, Mumin; Li, Weishan

    2014-12-01

    A novel gel polymer electrolyte (GPE), based on poly(methyl methacrylate-acrylonitrile-ethyl acrylate) (P(MMA-AN-EA)) terpolymer, is designed to match LiNi0.5Mn1.5O4 cathode of 5 V lithium ion battery. The performances of the synthesized P(MMA-AN-EA) terpolymer and the corresponding membrane and GPE are investigated by scanning electron microscope, energy dispersive spectroscopy, nuclear magnetic resonance spectra, Fourier transform infrared spectra, thermogravimetric analyzer, electrochemical impedance spectroscopy, linear sweep voltammetry, and charge/discharge test. It is found that the pore structure of P(MMA-AN-EA) membrane is affected by the dose of pore forming agent, polyethylene glycol (PEG400). The membrane with 3 wt% PEG400 presents the best pore structure, in which pores are dispersed uniformly and interconnected, and exhibits the largest electrolyte uptake, resulting in the highest ionic conductivity of 3.82 × 10-3 S cm-1 for the corresponding GPE at room temperature. The GPE has improved compatibility with lithium anode and is electrochemically stable up to 5.2 V (vs. Li/Li+). The high voltage LiNi0.5Mn1.5O4 cathode using the resulting GPE exhibits excellent cyclic stability, maintaining 97.9% of its initial discharge capacity after 100 cycles compared to that of 79.7% for the liquid electrolyte at 0.5 C.

  20. Prepsolv (TM): The optimum alternative to 1,1,1-trichloroethane and methyl ethyl ketone for hand-wipe cleaning of aerospace materials

    Science.gov (United States)

    Gallagher, R. Scott; Purvis, John A.; Moran, Wade W.

    1995-01-01

    Engineers at Hercules Aerospace, a rocket motor manufacturer in Utah, have worked closely with chemists at Glidco Organics to study the feasibility of using terpenes for zero-residue wipe cleaning. The result of this work is a technological breakthrough, in which the barrier to ultra-low non-volatile residue formation has been broken. After 2 years of development and testing, SCM Glidco Organics has announced the availability of Glidsafe(registered trademark) Prepsolv(TM): a state-of-the-art ultra-low residue terpene wipe cleaning agent that does not require rinsing. Prepsolv(TM) can successfully be used in simple hand-wipe cleaning processes without fear of leaving surface residues. Industry testing has confirmed that Prepsolv(TM) is not only highly effective, but can even be less expensive to use than traditional cleaning solvents like methyl chloroform. This paper addresses the features and benefits of Prepsolv(TM), and presents performance and material compatibility data that characterizes this unique cleaning agent. Since its commercialization, Hercules Aerospace has chosen Prepsolv(TM) as the optimum cleaning agent to replace ozone-depleting solvents in their weapons factory in Magna, UT. Likewise, Boeing has approved Prepsolv(TM) for cleaning components in the manufacture of commercial aircraft at their facilities in Seattle, WA and Wichita, KS. Additional approvals are forthcoming for this uniquely safe and effective solvent.

  1. Pharmacological profile and antiparkinsonian properties of the novel nociceptin/orphanin FQ receptor antagonist 1-[1-cyclooctylmethyl-5-(1-hydroxy-1-methyl-ethyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-3-ethyl-1,3-dihydro-benzoimidazol-2-one (GF-4).

    Science.gov (United States)

    Volta, Mattia; Marti, Matteo; McDonald, John; Molinari, Stefano; Camarda, Valeria; Pelà, Michela; Trapella, Claudio; Morari, Michele

    2010-06-01

    In this study we provided a pharmacological characterization of the recently synthesized nociceptin/orphanin FQ (N/OFQ) peptide receptor (NOP) antagonist 1-[1-Cyclooctylmethyl-5-(1-hydroxy-1-methyl-ethyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-3-ethyl-1,3-dihydro-benzoimidazol-2-one (GF-4) and investigated its antiparkinsonian properties. GF-4 inhibited N/OFQ binding to CHO(hNOP) cell membranes (pK(i) 7.46), and antagonized N/OFQ effects in a calcium mobilization assay and electrically stimulated isolated tissues (pK(B) 7.27-7.82), showing a approximately 5-fold selectivity over classical opioid receptors. In vivo, GF-4 dually modulated stepping activity in wild-type mice, causing facilitation in the 0.01-10mg/kg dose range and inhibition at 30mg/kg. These effects were mediated by NOP receptors since GF-4 was ineffective in NOP receptor knock-out mice. Antiparkinsonian properties of GF-4 were investigated in 6-hydroxydopamine hemilesioned rats. GF-4 ameliorated akinesia, bradykinesia and overall gait ability in the 0.1-10mg/kg dose range, but inhibited motor activity at 30mg/kg. To investigate the circuitry underlying motor facilitating and inhibitory effects of GF-4, microdialysis coupled to behavioral testing (akinesia test) was performed. An anti-akinetic dose of GF-4 (1mg/kg) reduced glutamate (GLU) and enhanced GABA release in SNr, while the pro-akinetic dose of GF-4 (30mg/kg) evoked opposite effects. Moreover, the anti-akinetic dose of GF-4 reduced GABA and increased GLU release in ventro-medial thalamus, the pro-akinetic dose decreasing GABA without affecting GLU release in this area. We conclude that GF-4 is an effective NOP receptor antagonist able to attenuate parkinsonian-like symptoms in vivo via inhibition of the nigro-thalamic pathway. Copyright 2010 Elsevier Inc. All rights reserved.

  2. Scientific Opinion on the safety assessment of the substances (butadiene, ethyl acrylate, methyl methacrylate, styrene copolymer either not crosslinked or crosslinked with divinylbenzene or 1,3-butanediol dimethacrylate, in nanoform, for use in food contact materials

    Directory of Open Access Journals (Sweden)

    EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF

    2014-04-01

    Full Text Available This scientific opinion of the EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids deals with the safety assessment of the additives (butadiene, ethyl acrylate, methyl methacrylate, styrene copolymer either not crosslinked or crosslinked with divinylbenzene or 1,3-butanediol dimethacrylate, in nanoform, (FCM substance Nos 998, 859 and 1043, intended to be used up to 10 % w/w as an impact modifier in rigid (unplasticized polyvinylchloride (PVC. The final material is intended to be used for contact with all food types, at room temperature or lower, for long time storage. The monomers constituting the copolymer are listed in Regulation (EU 10/2011. The migration from PVC of the low molecular weight fraction of the additive below 1000 Da was estimated to be about 0.009 mg/kg food. Considering that these low molecular weight oligomers are made from authorised monomers, which by reaction are expected to lack the reactive functional groups, they do not give rise to safety concern. The migration of the additive in nanoparticle form from the PVC was estimated, using conservative migration modelling, to be about 1 x 10-6 mg/kg food and so consumer exposure would be very low, if any. The CEF Panel concluded that there is no safety concern for the consumer if the substances are used as additives individually or in combination at up to a total of 10 % w/w in rigid PVC used in contact with all food types at ambient temperature or below including long-term storage.

  3. Experimental spectroscopic (FTIR, FT-Raman, FT-NMR, UV-Visible) and DFT studies of 1-ethyl-1,4-dihydro-7-methyl-4oxo-1,8 napthyridine-3-carboxylic acids.

    Science.gov (United States)

    Muthu, S; Elamurugu Porchelvi, E

    2013-12-01

    The solid phase FTIR and FT-Raman spectra of 1-ethyl-1,4-dihydro-7-methyl-4oxo-1,8 napthyridine-3-carboxylic acid (EDMONCA) have been recorded in the regions 4000-500 and 4000-400 cm(-1) respectively. The equilibrium geometry, harmonic vibrational frequencies have been investigated by DFT/B3LYP and B3PW91 methods with 6-311G (d,p) basis set. The different between the observed and scaled wave number values of most of the fundamental is very small. The assignments of the vibrational spectra have been carried out with the aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMFFM). Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. UV-Visible spectrum of the compound was recorded and the electronic properties HOMO and LOMO energies were measured. The electric dipole moment (μD) and first hyperpolarizability (βtot) values of the investigated molecule were computed using ab initio quantum mechanical calculations. The calculated results also show that the EDMONCA molecule may have microscopic nonlinear optics (NLO) behavior with non-zero values. (1)H and (13)C NMR spectra were recorded and (1)H and (13)C nuclear magnetic resonance chemical shift of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. Thermal stability of EDMONCA was studied by thermogravimetric analysis (TGA). Next Fukui function was calculated to explain the chemical selectivity or reactivity site in EDMONCA. Finally molecular electrostatic potential (MEP) and other molecular properties were performed. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Biology-oriented drug synthesis (BIODS): In vitro β-glucuronidase inhibitory and in silico studies on 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl carboxylate derivatives.

    Science.gov (United States)

    Salar, Uzma; Khan, Khalid Mohammed; Taha, Muhammad; Ismail, Nor Hadiani; Ali, Basharat; Qurat-Ul-Ain; Perveen, Shahnaz; Ghufran, Mehreen; Wadood, Abdul

    2017-01-05

    Current study is based on the biology-oriented drug synthesis (BIODS) of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl carboxylate derivatives 1-26, by treating metronidazole with different aryl and hetero-aryl carboxylic acids in the presence of 1,1'-carbonyl diimidazole (CDI) as a coupling agent. Structures of all synthetic derivatives were confirmed with the help of various spectroscopic techniques such as EI-MS, (1)H -NMR and (13)C NMR. CHN elemental analyses were also found in agreement with the calculated values. Synthetic derivatives were evaluated to check their β-glucuronidase inhibitory activity which revealed that except few derivatives, all demonstrated good inhibition in the range of IC50 = 1.20 ± 0.01-60.30 ± 1.40 μM as compared to the standard d-saccharic acid 1,4-lactone (IC50 = 48.38 ± 1.05 μM). Compounds 1, 3, 4, 6, 9-19, and 21-24 were found to be potent analogs and showed superior activity than standard. Limited structure-activity relationship is suggested that the molecules having electron withdrawing groups like NO2, F, Cl, and Br, were displayed better activity than the compounds with electron donating groups such as Me, OMe and BuO. To verify these interpretations, in silico study was also performed, a good correlation was observed between bioactivities and docking studies. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  5. Thin filament activation probed by fluorescence of N-((2-(iodoacetoxy)ethyl)-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole-labeled troponin I incorporated into skinned fibers of rabbit psoas muscle.

    Science.gov (United States)

    Brenner, B; Kraft, T; Yu, L C; Chalovich, J M

    1999-11-01

    A method is described for the exchange of native troponin of single rabbit psoas muscle fibers for externally applied troponin complexes without detectable impairment of functional properties of the skinned fibers. This approach is used to exchange native troponin for rabbit skeletal troponin with a fluorescent label (N-((2-(iodoacetoxy)ethyl)-N-methyl)amino-7-nitrobenz-2-oxa-1, 3-diazole, IANBD) on Cys(133) of the troponin I subunit. IANBD-labeled troponin I has previously been used in solution studies as an indicator for the state of activation of reconstituted actin filaments (. Proc. Natl. Acad. Sci. USA. 77:7209-7213). In the skinned fibers, the fluorescence of this probe is unaffected when cross-bridges in their weak binding states attach to actin filaments but decreases either upon the addition of Ca(2+) or when cross-bridges in their strong binding states attach to actin. Maximum reduction is observed when Ca(2+) is raised to saturating concentrations. Additional attachment of cross-bridges in strong binding states gives no further reduction of fluorescence. Attachment of cross-bridges in strong binding states alone (low Ca(2+) concentration) gives only about half of the maximum reduction seen with the addition of calcium. This illustrates that fluorescence of IANBD-labeled troponin I can be used to evaluate thin filament activation, as previously introduced for solution studies. In addition, at nonsaturating Ca(2+) concentrations IANBD fluorescence can be used for straightforward classification of states of the myosin head as weak binding (nonactivating) and strong binding (activating), irrespective of ionic strength or other experimental conditions. Furthermore, the approach presented here not only can be used as a means of exchanging native skeletal troponin and its subunits for a variety of fluorescently labeled or mutant troponin subunits, but also allows the exchange of native skeletal troponin for cardiac troponin.

  6. Density functional study of electronic, charge density, and chemical bonding properties of 9-methyl-3-Thiophen-2-YI-Thieno [3,2-e] [1, 2, 4] Thriazolo [4,3-c] pyrimidine-8-Carboxylic acid ethyl ester crystals

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H., E-mail: maalidph@yahoo.co.uk [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Kamarudin, H. [Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Alahmed, Z.A. [Department of Physics and Astronomy, King Saud University, Riyadh 11451 (Saudi Arabia); Auluck, S. [CSIR-National Physical Laboratory, Dr. K S Krishnan Marg, New Delhi 110012 (India); Chyský, Jan [Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, 166 07 Prague 6 (Czech Republic)

    2014-06-01

    A comprehensive theoretical density functional investigation of the electronic crystal structure, chemical bonding, and the electron charge densities of 9-Methyl-3-Thiophen-2-YI-Thieno [3, 2-e] [1, 2, 4] Thriazolo [4,3-c] Pyrimidine-8-Carboxylic Acid Ethyl Ester (C{sub 15}H{sub 12}N{sub 4}O{sub 2}S{sub 2}) is performed. The density of states at Fermi level equal to 5.50 (3.45) states/Ry cell, and the calculated bare electronic specific heat coefficient is found to be 0.95 (0.59) mJ/mole-K{sup 2} for the local density approximation (Engel–Vosko generalized gradient approximation). The electronic charge density space distribution contours in (1 0 0) and (1 1 0) planes were calculated. We find that there are two independent molecules (A and B) in the asymmetric unit exhibit intramolecular C–H…O, C–H…N interactions. This intramolecular interaction is different in molecules A and B, where A molecule show C–H…O interaction while B molecule exhibit C–H…N interaction. We should emphasis that there is π–π interaction between the pyrimidine rings of the two neighbors B molecules gives extra strengths and stabilizations to the superamolecular structure. The calculated distance between the two neighbors pyrimidine rings found to be 3.345 Å, in good agreement with the measured one (3.424(1) Å). - Highlights: • Electronic structure, chemical bonding, and electron charge density were studied. • Density of states at Fermi level is 5.50 (3.45) states/Ry cell, for LDA (EVGGA). • Bare electronic specific heat coefficient is 0.95 (0.59) mJ/mole-K{sup 2} for LDA(EVGGA). • There are two independent molecules (A and B) in the asymmetric unit.

  7. (-)-(1R,2R)-3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol hydrochloride (tapentadol HCl): a novel mu-opioid receptor agonist/norepinephrine reuptake inhibitor with broad-spectrum analgesic properties.

    Science.gov (United States)

    Tzschentke, Thomas M; Christoph, Thomas; Kögel, Babette; Schiene, Klaus; Hennies, Hagen-Heinrich; Englberger, Werner; Haurand, Michael; Jahnel, Ulrich; Cremers, Thomas I F H; Friderichs, Elmar; De Vry, Jean

    2007-10-01

    (-)-(1R,2R)-3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol hydrochloride (tapentadol HCl) is a novel micro-opioid receptor (MOR) agonist (Ki = 0.1 microM; relative efficacy compared with morphine 88% in a [35S]guanosine 5'-3-O-(thio)triphosphate binding assay) and NE reuptake inhibitor (Ki = 0.5 microM for synaptosomal reuptake inhibition). In vivo intracerebral microdialysis showed that tapentadol, in contrast to morphine, produces large increases in extracellular levels of NE (+450% at 10 mg/kg i.p.). Tapentadol exhibited analgesic effects in a wide range of animal models of acute and chronic pain [hot plate, tail-flick, writhing, Randall-Selitto, mustard oil colitis, chronic constriction injury (CCI), and spinal nerve ligation (SNL)], with ED50 values ranging from 8.2 to 13 mg/kg after i.p. administration in rats. Despite a 50-fold lower binding affinity to MOR, the analgesic potency of tapentadol was only two to three times lower than that of morphine, suggesting that the dual mode of action of tapentadol may result in an opiate-sparing effect. A role of NE in the analgesic efficacy of tapentadol was directly demonstrated in the SNL model, where the analgesic effect of tapentadol was strongly reduced by the alpha2-adrenoceptor antagonist yohimbine but only moderately attenuated by the MOR antagonist naloxone, whereas the opposite was seen for morphine. Tolerance development to the analgesic effect of tapentadol in the CCI model was twice as slow as that of morphine. It is suggested that the broad analgesic profile of tapentadol and its relative resistance to tolerance development may be due to a dual mode of action consisting of both MOR activation and NE reuptake inhibition.

  8. (1R*,21S*,22R*,24S*-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20,16,18-hexaen-25-yl]but-2-enedioate

    Directory of Open Access Journals (Sweden)

    Truong Hong Hieu

    2013-07-01

    Full Text Available The title compound, C40H41NO8, is a product of the reduction of the cyclic carbonyl group of the γ-piperidone subunit of the aza-14-crown-4 ether with subsequent re-esterification of its dimethyl butenoate substituent into a monoethyl monomethyl group. The azacrown macrocycle exhibits a bowl conformation with a dihedral angle of 70.82 (5° between the benzene rings fused to it. The piperidine ring adopts a chair conformation and the methyl ethyl ethylenedicarboxylate fragment has a cis conformation, with a dihedral angle of 66.51 (7° between the two carboxylate groups. The ethyl group is disordered over two sites with occupancies of 0.70 (1:0.30 (1. In the crystal, molecules form inversion dimers, via pairs of O—H...O hydrogen bonds, that stack along the a axis.

  9. The diagnostic value of 99TcM-2-(2-methyl-5-nitro-1H-imidazol-1-yl) ethyl dihydrogen phosphate hypoxia imaging and its evaluation performance for radiotherapy efficacy in non-small-cell lung cancer

    Science.gov (United States)

    Yang, Yongkun; Han, Gaohua; Xu, Wansong

    2016-01-01

    Background and aim This study was designated to assess the diagnostic value of 99TcM-2-(2-methyl-5-nitro-1H-imidazol-1-yl) ethyl dihydrogen phosphate (99TcM-MNLS) hypoxia imaging and its evaluation performance for radiotherapy efficacy in patients with non-small-cell lung cancer (NSCLC). Patients and methods A total of 61 patients with NSCLC were selected for this study. All patients were injected with 99TcM-MNLS within 1 week prior to radiotherapy and they were injected with 99TcM-MNLS again 3 months after radiotherapy. Qualitative analysis along with semiquantitative analysis results were obtained from hypoxia imaging. Meanwhile, the effect of radiotherapy on patients with NSCLC was evaluated based on the solid tumor curative effect evaluation standard. Finally, SPSS 19.0 statistical software was implemented for statistical analysis. Results There was no significant difference in age or sex between the NSCLC patient group and benign patient group (P>0.05). 99TcM-MNLS was selectively concentrated in tumor tissues with a clear imaging in 24 hours. Results from both qualitative analysis and semiquantitative analysis indicated that the sensitivity and specificity of 99TcM-MNLS hypoxia imaging in diagnosing NSCLC were 93.8% and 84.6% and 72.9% and 100%, respectively. Moreover, the receiver operating characteristic curve provided evidence that 99TcM-MNLS hypoxia imaging was a powerful diagnostic tool in distinguishing malignant lung cancer from benign lesions. As suggested by 24-hour imaging, the tumor-to-normal ratio of patients in the 99TcM-MNLS high-intake group and low-intake group had a decline of 24.7% and 14.4% after radiotherapy, respectively. The decline in the tumor-to-normal ratio between the two dosage groups was significantly different (P<0.05). Conclusion 99TcM-MNLS hypoxia imaging had reliable values in both diagnosing NSCLC and evaluating therapeutic effects of radiotherapy on patients with NSCLC. PMID:27799797

  10. The diagnostic value of (99)Tc(M)-2-(2-methyl-5-nitro-1H-imidazol-1-yl) ethyl dihydrogen phosphate hypoxia imaging and its evaluation performance for radiotherapy efficacy in non-small-cell lung cancer.

    Science.gov (United States)

    Yang, Yongkun; Han, Gaohua; Xu, Wansong

    2016-01-01

    This study was designated to assess the diagnostic value of (99)Tc(M)-2-(2-methyl-5-nitro-1H-imidazol-1-yl) ethyl dihydrogen phosphate ((99)Tc(M)-MNLS) hypoxia imaging and its evaluation performance for radiotherapy efficacy in patients with non-small-cell lung cancer (NSCLC). A total of 61 patients with NSCLC were selected for this study. All patients were injected with (99)Tc(M)-MNLS within 1 week prior to radiotherapy and they were injected with (99)Tc(M)-MNLS again 3 months after radiotherapy. Qualitative analysis along with semiquantitative analysis results were obtained from hypoxia imaging. Meanwhile, the effect of radiotherapy on patients with NSCLC was evaluated based on the solid tumor curative effect evaluation standard. Finally, SPSS 19.0 statistical software was implemented for statistical analysis. There was no significant difference in age or sex between the NSCLC patient group and benign patient group (P>0.05). (99)Tc(M)-MNLS was selectively concentrated in tumor tissues with a clear imaging in 24 hours. Results from both qualitative analysis and semiquantitative analysis indicated that the sensitivity and specificity of (99)Tc(M)-MNLS hypoxia imaging in diagnosing NSCLC were 93.8% and 84.6% and 72.9% and 100%, respectively. Moreover, the receiver operating characteristic curve provided evidence that (99)Tc(M)-MNLS hypoxia imaging was a powerful diagnostic tool in distinguishing malignant lung cancer from benign lesions. As suggested by 24-hour imaging, the tumor-to-normal ratio of patients in the (99)Tc(M)-MNLS high-intake group and low-intake group had a decline of 24.7% and 14.4% after radiotherapy, respectively. The decline in the tumor-to-normal ratio between the two dosage groups was significantly different (P<0.05). (99)Tc(M)-MNLS hypoxia imaging had reliable values in both diagnosing NSCLC and evaluating therapeutic effects of radiotherapy on patients with NSCLC.

  11. Rigidity and soft percolation in the glass transition of an atomistic model of ionic liquid, 1-ethyl-3-methyl imidazolium nitrate, from molecular dynamics simulations—Existence of infinite overlapping networks in a fragile ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Habasaki, Junko, E-mail: habasaki.j.aa@m.titech.ac.jp [Department of Innovative and Engineered Materials, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Nagatsuta 4259, Yokohama 226-8502 (Japan); Ngai, K. L. [CNR-IPCF Dipartimento di Fisica, Università di Pisa, Largo Bruno Pontecorvo 3, I-56127 Pisa (Italy)

    2015-04-28

    The typical ionic liquid, 1-ethyl-3-methyl imidazolium nitrate (EMIM-NO{sub 3}), was examined by molecular dynamics simulations of an all-atomistic model to show the characteristics of networks of cages and/or bonds in the course of vitrification of this fragile glass-former. The system shows changes of dynamics at two characteristic temperatures, T{sub B} (or T{sub c}) and the glass transition temperature T{sub g}, found in other fragile glass forming liquids [K. L. Ngai and J. Habasaki, J. Chem. Phys. 141, 114502 (2014)]. On decreasing temperature, the number of neighboring cation-anion pairs, N{sub B}, within the first minimum of the pair correlation function, g(r){sub min}, increases. On crossing T{sub B} (>T{sub g}), the system volume and diffusion coefficient both show changes in temperature dependence, and as usual at T{sub g}. The glass transition temperature, T{sub g}, is characterized by the saturation of the total number of “bonds,” N{sub B} and the corresponding decrease in degree of freedom, F = [(3N − 6) − N{sub B}], of the system consisting of N particles. Similar behavior holds for the other ion-ion pairs. Therefore, as an alternative, the dynamics of glass transition can be interpreted conceptually by rigidity percolation. Before saturation occurring at T{sub g}, the number of bonds shows a remarkable change at around T{sub B}. This temperature is associated with the disappearance of the loosely packed coordination polyhedra of anions around cation (or vice versa), related to the loss of geometrical freedom of the polyhedra, f{sub g}, of each coordination polyhedron, which can be defined by f{sub g} = [(3N{sub V} − 6) − N{sub b}]. Here, 3N{sub v} is the degree of freedom of N{sub V} vertices of the polyhedron, and N{sub b} is number of fictive bonds. The packing of polyhedra is characterized by the soft percolation of cages, which allows further changes with decreasing temperature. The power spectrum of displacement of the central ion

  12. THE SEARCH FOR A COMPLEX MOLECULE IN A SELECTED HOT CORE REGION: A RIGOROUS ATTEMPT TO CONFIRM TRANS-ETHYL METHYL ETHER TOWARD W51 e1/e2

    Energy Technology Data Exchange (ETDEWEB)

    Carroll, P. Brandon; McGuire, Brett A. [Division of Chemistry and Chemical Engineering, California Institute of Technology, 1200 East California Boulevard, Pasadena, CA 91125 (United States); Blake, Geoffrey A. [Division of Chemistry and Chemical Engineering and Division Geological and Planetary Sciences, California Institute of Technology, 1200 East California Boulevard, Pasadena, CA 91125 (United States); Apponi, A. J.; Ziurys, L. M. [Departments of Chemistry and Astronomy, University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States); Remijan, Anthony, E-mail: pcarroll@caltech.edu [National Radio Astronomy Observatory, 520 Edgemont Road, Charlottesville, VA 22901-2475 (United States)

    2015-01-20

    An extensive search has been conducted to confirm transitions of trans-ethyl methyl ether (tEME, C{sub 2}H{sub 5}OCH{sub 3}), toward the high-mass star forming region W51 e1/e2 using the 12 m Telescope of the Arizona Radio Observatory at wavelengths from 2 mm and 3 mm. In short, we cannot confirm the detection of tEME toward W51 e1/e2 and our results call into question the initial identification of this species by Fuchs et al. Additionally, re-evaluation of the data from the original detection indicates that tEME is not present toward W51 e1/e2 in the abundance reported by Fuchs and colleagues. Typical peak-to-peak noise levels for the present observations of W51 e1/e2 were between 10 and 30 mK, yielding an upper limit of the tEME column density of ≤1.5 × 10{sup 15} cm{sup –2}. This would make tEME at least a factor of two times less abundant than dimethyl ether (CH{sub 3}OCH{sub 3}) toward W51 e1/e2. We also performed an extensive search for this species toward the high-mass star forming region Sgr B2(N-LMH) with the National Radio Astronomy Observatory 100 m Green Bank Telescope. No transitions of tEME were detected and we were able to set an upper limit to the tEME column density of ≤4 × 10{sup 14} cm{sup –2} toward this source. Thus, we are able to show that tEME is not a new molecular component of the interstellar medium and that an exacting assessment must be carried out when assigning transitions of new molecular species to astronomical spectra to support the identification of large organic interstellar molecules.

  13. Short-term oral toxicity of butyl ether, ethyl hexyl ether, methyl heptyl ether and 1,6-dimethoxyhexane in male rats and the role of 2-methoxyacetic acid.

    Science.gov (United States)

    Poon, Raymond; Wade, Michael; Valli, Victor E; Chu, Ih

    2005-10-15

    A 4-week oral study was conducted in male rats to characterize and compare the toxicity of four aliphatic ethers (butyl ether, BE; ethyl hexyl ether, EHxE; methyl heptyl ether, MHpE; and 1,6-dimethoxyhexane, DMH) which have been proposed as high-cetane diesel additives. Male Sprague-Dawley rats (280+/-20 g) were divided into groups of seven animals each and were administered by gavage low (2mg/kg body weight), medium (20mg/kg) or high (200mg/kg) doses of BE, EHxE, or MHpE, 5 days per week for 4 weeks. Another group of animals was administered DMH at 200mg/kg while the control group received the vehicle (corn oil at 1 ml/100g bw) only. At the end of the treatment period, relative testis weights and thymus weights were significantly decreased in the DMH group but not in animals receiving BE, EHxE, or MHpE. Microscopic examination revealed degeneration of the seminiferous tubules and reduction of sperm density in the epididymides in the DMH treatment group. Urinary creatine/creatinine ratio, a sensitive indicator of testicular damage, was markedly elevated in the DMH treated animals but not in those treated with BE, EHxE, or MHpE. In the bone marrow, DMH caused mild dyserythropoiesis and dysthrombopoiesis, while BE, EHxE, and MHpE produced mild increases in granulocytes and myelocyte/erythrocyte ratio. All four ethers at 200mg/kg caused mild histological changes in the thyroid but no significant modulation in the circulating thyroxin (T4) or triiodothyronine (T3) levels. All four ethers produced hepatic effects at 200mg/kg consisting of mild, adaptive histological changes, increased urinary ascorbic acid output, and elevation in the activities of one or more xenobiotic metabolizing enzymes (benzyloxyresorufin-O-dealkylase, UDP-glucuronosyltransferase, glutathione-S-transferases). The level of 2-methoxyacetic acid (MAA), a known testicular and developmental toxin, was significantly increased in the urine and plasma of animals treated with DMH but not in those

  14. The identification of a novel phosphodiesterase 4 inhibitor, 1-ethyl-5-{5-[(4-methyl-1-piperazinyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine (EPPA-1), with improved therapeutic index using pica feeding in rats as a measure of emetogenicity.

    Science.gov (United States)

    Davis, T Gregg; Peterson, John J; Kou, Jen-Pyng; Capper-Spudich, Elizabeth A; Ball, Doug; Nials, Anthony T; Wiseman, Joanne; Solanke, Yemisi E; Lucas, Fiona S; Williamson, Richard A; Ferrari, Livia; Wren, Paul; Knowles, Richard G; Barnette, Mary S; Podolin, Patricia L

    2009-09-01

    Clinical utility of phosphodiesterase 4 (PDE4) inhibitors as anti-inflammatory agents has, to date, been limited by adverse effects including nausea and emesis, making accurate assessment of emetic versus anti-inflammatory potencies critical to the development of inhibitors with improved therapeutic indices. In the present study we determined the in vitro and in vivo anti-inflammatory potencies of the first-generation PDE4 inhibitor, rolipram, the second-generation inhibitors, roflumilast and cilomilast, and a novel third generation inhibitor, 1-ethyl-5-{5-[(4-methyl-1-piperazinyl)methyl]-1,3,4-oxadiazol-2-yl}-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine (EPPA-1). The rank-order potency against lipopolysaccharide (LPS)-induced tumor necrosis factor-alpha production by human peripheral blood mononuclear cells was roflumilast (IC(50) = 5 nM) > EPPA-1 (38) > rolipram (269) > cilomilast (389), and against LPS-induced pulmonary neutrophilia in the rat was EPPA-1 (D(50) = 0.042 mg/kg) > roflumilast (0.24) > rolipram (3.34) > cilomilast (4.54). Pica, the consumption of non-nutritive substances in response to gastrointestinal stress, was used as a surrogate measure for emesis, giving a rank-order potency of rolipram (D(50) = 0.495 mg/kg) > roflumilast (1.6) > cilomilast (6.4) > EPPA-1 (24.3). The low and high emetogenic activities of EPPA-1 and rolipram, respectively, detected in the pica model were confirmed in a second surrogate model of emesis, reversal of alpha(2)-adrenoceptor-mediated anesthesia in the mouse. The rank order of therapeutic indices derived in the rat [(pica D(50))/(neutrophilia D(50))] was EPPA-1 (578) > roflumilast (6.4) > cilomilast (1.4) > rolipram (0.15), consistent with the rank order derived in the ferret [(emesis D(50))/(neutrophilia D(50))]. These data validate rat pica feeding as a surrogate for PDE4 inhibitor-induced emesis in higher species, and identify EPPA-1 as a novel PDE4 inhibitor with an improved therapeutic index.

  15. Spectroscopic characterization and detection of Ethyl Mercaptan in Orion

    CERN Document Server

    Kolesniková, L; Cernicharo, J; Alonso, J L; Daly, A M; Gordon, B P; Shipman, S T

    2014-01-01

    New laboratory data of ethyl mercaptan, CH$_{3}$CH$_{2}$SH, in the millimeter and submillimeter-wave domains (up to 880 GHz) provided very precise values of the spectroscopic constants that allowed the detection of $gauche$-CH$_3$CH$_2$SH towards Orion KL. 77 unblended or slightly blended lines plus no missing transitions in the range 80-280 GHz support this identification. A detection of methyl mercaptan, CH$_{3}$SH, in the spectral survey of Orion KL is reported as well. Our column density results indicate that methyl mercaptan is $\\simeq$ 5 times more abundant than ethyl mercaptan in the hot core of Orion KL.

  16. Posada a punt i implementació de mètodes cromatogràfics per a l’anàlisi d’aldehids i cetones, precursors d’ozó troposfèric, en mostres d’emissions de vehicles i aplicació de metodologies de relació quantitativa estructura química-retenció cromatogràfica (QSRR) a l’anàlisi, mitjançant HPLC-UV, d’aldehids i cetones DNPH-derivatitzats

    OpenAIRE

    2014-01-01

    En aquesta tesi doctoral, realitzada a la Secció de Cromatografia del Departament de Química Analítica de l’Institut Químic de Sarrià (IQS), s’ha desenvolupat, optimitzat, validat i implementat un mètode analític (HPLC-UV) per portar a terme la determinació d’aldehids i cetones precursors d’ozó troposfèric, continguts en cartutxos de sílice impregnats amb 2,4-dinitrofenilhidrazina, en mostres procedents d’emissions de vehicles. L’estudi de la retenció cromatogràfica de les 2,4-dinitrofeni...

  17. Cu(II) complexes of an ionic liquid-based Schiff base [1-{2-(2-hydroxy benzylidene amino) ethyl}-3-methyl­imidazolium]Pf6: Synthesis, characterization and biological activities

    OpenAIRE

    Saha Sanjoy; Brahman Dhiraj; Sinha Biswajit

    2015-01-01

    Two Cu(II) complexes of an ionic liquid based Schiff base 1-{2-(2-hydroxybenzylideneamino) ethyl}-3-methylimidazolium hexaflurophosphate, were prepared and characterized by different analytical and spectroscopic methods such as elemental analysis, magnetic susceptibility, UV-Vis, IR, NMR and mass spectroscopy. The Schiff base ligand was found to act as a potential bidentate chelating ligand with N, O donor sites and formed 1:2 metal chelates with Cu(II) sal...

  18. Synthesis, characterization and catalytic performance of mixed nanoferrites submitted to transesterification and esterification reaction using methyl and ethyl route for biodiesel production; Sintese, caracterizacao e performance catalitica de nanoferritas mistas submetidas a reacao de transesterificacao e esterificacao via rota metilica e etilica para biodiesel

    Energy Technology Data Exchange (ETDEWEB)

    Dantas, Joelda; Leal, Elvia; Mapossa, Antonio Benjamim; Silva, Adriano Sant' Ana; Costa, Ana Cristina Figueiredo de Melo, E-mail: joeldadantas@yahoo.com.br, E-mail: elvialeal@gmail.com, E-mail: mapossabenjox@gmail.com, E-mail: adriano_santana@yahoo.com.br, E-mail: ana.cristina@pq.cnpq.br [Universidade Federal de Campina Grande (LabSMaC/UAEMa/UFCG), PB (Brazil). Lab. de Sintese de Materiais Ceramicos

    2016-10-15

    The mixed nanoferrites of Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} and Ni{sub 0.2}Cu{sub 0.3}Zn{sub 0.5}Fe{sub 2}O{sub 4} were synthesized by combustion reaction using urea as fuel and a conical reactor as heating source in batches of 10 g, and then tested as heterogeneous nanocatalysts in the transesterification and esterification reaction of soya bean oil using the methyl and ethyl routes to biodiesel production. During the synthesis the time and temperature of the reactions were measured, and the evolved gases and the color of the emitted flames were observed. The samples were characterized by XRD, EDX, FTIR, SEM/EDS, BET and gas chromatography. The reaction tests were carried out with 10 g of oil for 1 h, oil:alcohol molar ratio of 1:12, 2 % (w/w) of catalyst, and conducted at 180 °C. The XRD patterns and the FTIR spectra revealed the presence of the inverse spinel phase type B(AB){sub 2}O{sub 4}. The morphology showed the formation of agglomerates with fragile morphology and high surface area. The chromatographic analysis produced excellent results in the esterification reactions for both samples in the tested conditions, with special emphasis on Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}, whose conversions were of 91.4 % in methyl esters and of 77.8 % in ethyl esters, while the Ni{sub 0.2}Cu{sub 0.3}Zn{sub 0.5}Fe{sub 2}O{sub 4} sample showed conversion of 75.1 and 65.1 %, respectively. The conversions in the methyl and ethyl transesterification were of 14 and 2 % of the Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} sample, and of 11 and 3 % for the Ni{sub 0.2}Cu{sub 0.3}Zn{sub 0.5}Fe{sub 2}O{sub 4} sample. (author)

  19. Pathological changes of major organs after rats inhaled methyl ethyl ketone peroxide aerosol%吸入过氧化甲乙酮气溶胶大鼠主要脏器的病理损伤

    Institute of Scientific and Technical Information of China (English)

    刘玲; 王延让; 王凤山; 刘静

    2013-01-01

    目的 探讨大鼠吸入过氧化甲乙酮(MEKP)气溶胶后主要器官的病理学改变,为研究过氧化甲乙酮损伤机制提供线索.方法 建立大鼠MEKP亚慢性染毒模型,SD大鼠100只,雌雄各半,随机分为空白对照组、溶剂对照组、50、500和1000 mg/m3MEKP染毒组,每组10只.对照组吸入清洁空气和溶剂气溶胶,6 h/d,5 d/周,共13周,记录染毒期间临床表现,计算肾脏、胸腺、睾丸等脏器的脏器系数,HE染色观察各组大鼠的肺、肝、睾丸等脏器组织病理学改变.结果 1000 mg/m3MEKP染毒组雄性大鼠肾脏、睾丸脏器系数明显低于空白对照组、溶剂对照组及50、500 mg/m3MEKP染毒组,差异有统计学意义(P<0.05); 1000 mg/m3 MEKP染毒组大鼠胸腺脏器系数明显低于空白对照组、溶剂对照组,差异有统计学意义(P<0.05).500和1000 mg/m3 MEKP染毒组中部分大鼠肺脏、肝脏、睾丸出现明显损伤,呈现病变程度随着剂量增加而加重的趋势.肺部损伤主要表现为过度充气,充血,出血,间质性肺炎,甚至肺脓肿症状;肝脏损伤表现为肝脏汇管区细胞核浓缩,细胞内脂肪变性,细胞轻度水肿;睾丸损伤主要表现为局部多级生精细胞变性,坏死,发育不良,生精细胞内的精子数目显著减少.在空白对照组、溶剂对照组及各剂量组雌性大鼠中未发现卵巢异常病变.结论 大鼠吸入MEKP气溶胶可对肝脏、肺脏、肾脏、胸腺、睾丸造成损伤作用,尤其对雄性大鼠睾丸的损害作用较为明显.%Objective To investigate the pathological changes of major organs in rats that have inhaled methyl ethyl ketone peroxide (MEKP) aerosol and to provide clues to the oxidative damage mechanism of MEKP.Methods A total of 100 Sprague-Dawley rats (male-to-female ratio=1∶1) were randomly and equally divided into blank control group,solvent control group,and 50,500,and 1000 mg/m3 MEKP exposure groups to inhale clean air,solvent aerosol,or MEKP

  20. Cu(II complexes of an ionic liquid-based Schiff base [1-{2-(2-hydroxy benzylidene amino ethyl}-3-methyl­imidazolium]Pf6: Synthesis, characterization and biological activities

    Directory of Open Access Journals (Sweden)

    Saha Sanjoy

    2015-01-01

    Full Text Available Two Cu(II complexes of an ionic liquid based Schiff base 1-{2-(2-hydroxybenzylideneamino ethyl}-3-methylimidazolium hexaflurophosphate, were prepared and characterized by different analytical and spectroscopic methods such as elemental analysis, magnetic susceptibility, UV-Vis, IR, NMR and mass spectroscopy. The Schiff base ligand was found to act as a potential bidentate chelating ligand with N, O donor sites and formed 1:2 metal chelates with Cu(II salts. The synthesized Cu(II complexes were tested for biological activity.

  1. Reduction by metals dissolved in liquid ammonia of keto steroids. Equilibration of the alcohols; Reduction par les metaux dissous dans l'ammoniac liquide de cetones en serie steroide. Equilibration des alcools

    Energy Technology Data Exchange (ETDEWEB)

    Giroud, A.M. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1970-07-01

    'une cetone par les metaux en dissolution fait intervenir deux electrons: on peut considerer comme intermediaire un radical-anion, puis un dianion ou un carbanion. Le radical-anion pouvant aussi se dimeriser pour donner des pinacols. Pour interpreter les resultats des reductions, il nous fallait connaitre les stabilites relatives des alcools ce qui nous a conduit a faire des equilibrations. Dans un premier chapitre, nous etudions les methodes de preparation de l'androstanone-ll et des androstanols-ll{alpha} et ll{beta}. Nous verifions ensuite qu'il n'est pas possible selon nos methodes de conclure sur la stabilite relative des deux alcools par equilibrations experimentales. Nous decrivons enfin les methodes de reduction de la cetone par les metaux alcalins et alcalino-terreux dissous dans l'ammoniac liquide, suivant deux procedes: soit en presence de donneur de protons, soit avec addition posterieure de donneur de protons. Ces reductions conduisent a un melange des deux alcools ou l'isomere {alpha} equatorial stable predomine. Dans un deuxieme chapitre, nous etudions l'action de l'acide selenique et de l'eau oxygenee sur la cholestanone-3, reaction qui nous a permis d'etudier la preparation et la stereochimie des derives du A-nor cholestane. Nous decrivons ensuite la preparation des A-nor cholestanols 2{alpha} et 2{beta} et des acetates correspondants. L'equilibration par des methodes chimiques de ces alcools montre que l'alcool 2 {alpha} est plus stable que l'alcool 2{beta}, ce qui est confirme par le calcul. Enfin, la reduction de la A-nor cholestanone-2 par les metaux en dissolution conduit toujours de facon preponderante a l'epimere 2 {beta} le moins stable avec en outre formation de pinacols. Nous consacrons enfin le troisieme chapitre a l'etude des reductions de l'androstanone-17 et des stabilites relatives des deux alcools 17{alpha} et 17{beta}. Quel que soit le mode operatoire utilise, nous

  2. Synthesis of ethyl 8-fluoro-5,6-dihydro-5-(/sup 11/C)methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate (RO 15. 1788-/sup 11/C): a specific radioligand for the in vivo study of central benzodiazepine receptors by positron emission tomography

    Energy Technology Data Exchange (ETDEWEB)

    Maziere, M.; Hantraye, P.; Prenant, C.; Sastre, J.; Comar, D. (CEA, 91 - Orsay (France). Service Hospitalier Frederic Joliot)

    1984-10-01

    A method of labelling ethyl 8-fluoro-5,6-dihydro-5-(/sup 11/C) methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate (RO 15.1788 /sup 11/C), a benzodiazepine antagonist with carbon-11 has been developed. RO 15.1788-/sup 11/C was prepared by methylation of the nor derivative by I/sup 11/CH/sub 3/. About 100 mCi (maximum 153 mCi, 5.66 GBq) of the chemically and radiochemically pure labelled product were obtained within 25 min with a specific activity on average of 1100 mCi/..mu.. mol (maximum 1740 mCi/..mu..mol-64.4 GBq/..mu..mol). Preliminary results obtained after i.v. administration in the baboon have shown RO 15.1788-/sup 11/C to be of interest as a benzodiazepine radioligand for the in vivo study of benzodiazepine receptors by positron emission tomography.

  3. Structural characterization of analgesic isothiazolopyridines of Mannich base type; X-ray analysis of 2-[(4-phenylpiperazin-1-yl)ethyl]- and 2-[(4-methylpiperazin-1-yl)methyl]-4,6-dimethylisothiazolo[5,4- b]pyridin-3(2 H)-ones

    Science.gov (United States)

    Karczmarzyk, Zbigniew; Malinka, Wiesław

    2008-10-01

    The crystal and molecular structures of the title 2-[(4-phenylpiperazin-1-yl)ethyl], 6, and 2-[(4-methylpiperazin-1-yl)methyl], 7, derivatives of isothiazolo[5,4- b]pyridine were determined. The molecular packing in 6 is influenced by C-H…X (X = N, O) hydrogen bonds and π… π interactions of the pairs of isothiazolopyridine rings belonging to inversion related molecules. The crystal structure of 7 contains the net of O-H…N and C-H…O intermolecular hydrogen bonds. Moreover, isothiazole and pyridine rings show significant stacking with the shortest π… π distances of 3.453 Å. The conformations of the molecules 6 and 7 were compared with those observed in the crystals of related analgesic 4-arylpiperazine ( 2, 3) and 4-arylpiperidine ( 4, 5) derivatives of isothiazolopyridine of Mannich base type. Additionally, the computational investigations using semi-empirical AM1 and RHF/6-31G∗∗ ab initio methods are performed within series 2- 7 in order to find correlation between geometrical and electronic parameters of the molecules and their analgesic action. Results of the theoretical calculations show that the charge distribution on the piperazine N atoms is correlated with conformation of the (4-arylpiperazin-1-yl)methyl side chain and analgesic action of isothiazolopyridines analyzed.

  4. Synthesis and in vivo evaluation of the putative breast cancer resistance protein inhibitor [{sup 11}C]methyl 4-((4-(2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)phenyl) amino-carbonyl)-2-(quinoline-2-carbonylamino)benzoate

    Energy Technology Data Exchange (ETDEWEB)

    Mairinger, Severin [Department of Medicinal Chemistry, University of Vienna, 1090 Vienna (Austria); Molecular Medicine, AIT Austrian Institute of Technology GmbH, 2444 Seibersdorf (Austria); Department of Clinical Pharmacology, Medical University of Vienna, Vienna (Austria); Langer, Oliver, E-mail: oliver.langer@ait.ac.a [Molecular Medicine, AIT Austrian Institute of Technology GmbH, 2444 Seibersdorf (Austria); Department of Clinical Pharmacology, Medical University of Vienna, Vienna (Austria); Kuntner, Claudia; Wanek, Thomas [Molecular Medicine, AIT Austrian Institute of Technology GmbH, 2444 Seibersdorf (Austria); Bankstahl, Jens P.; Bankstahl, Marion [Department of Pharmacology, Toxicology and Pharmacy, University of Veterinary Medicine Hanover (Germany); Stanek, Johann [Department of Clinical Pharmacology, Medical University of Vienna, Vienna (Austria); Doerner, Bernd [Department of Medicinal Chemistry, University of Vienna, 1090 Vienna (Austria); Bauer, Florian [Department of Medicinal Chemistry, University of Vienna, 1090 Vienna (Austria); Department of Clinical Pharmacology, Medical University of Vienna, Vienna (Austria); Baumgartner, Christoph [2nd Neurological Department, General Hospital Hietzing with Neurological Center Rosenhuegel, Vienna (Austria); Loescher, Wolfgang [Department of Pharmacology, Toxicology and Pharmacy, University of Veterinary Medicine Hanover (Germany); Erker, Thomas, E-mail: thomas.erker@univie.ac.a [Department of Medicinal Chemistry, University of Vienna, 1090 Vienna (Austria); Mueller, Markus [Department of Clinical Pharmacology, Medical University of Vienna, Vienna (Austria)

    2010-07-15

    Introduction: The multidrug efflux transporter breast cancer resistance protein (BCRP) is highly expressed in the blood-brain barrier (BBB), where it limits brain entry of a broad range of endogenous and exogenous substrates. Methyl 4-((4-(2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)phenyl) amino-carbonyl)-2-(quinoline-2-carbonylamino)benzoate (1) is a recently discovered BCRP-selective inhibitor, which is structurally derived from the potent P-glycoprotein (P-gp) inhibitor tariquidar. The aim of this study was to develop a new PET tracer based on 1 to map BCRP expression levels in vivo. Methods: Compound 1 was labelled with {sup 11}C in its methyl ester function by reaction of the corresponding carboxylic acid 2 with [{sup 11}C]methyl triflate. Positron emission tomography (PET) imaging of [{sup 11}C]-1 was performed in wild-type, Mdr1a/b{sup (-/-)}, Bcrp1{sup (-/-)} and Mdr1a/b{sup (-/-)}Bcrp1{sup (-/-)} mice (n=3 per mouse type) and radiotracer metabolism was assessed in plasma and brain. Results: Brain-to-plasma ratios of unchanged [{sup 11}C]-1 were 4.8- and 10.3-fold higher in Mdr1a/b{sup (-/-)} and in Mdr1a/b{sup (-/-)}Bcrp1{sup (-/-)} mice, respectively, as compared to wild-type animals, but only modestly increased in Bcrp1{sup (-/-)} mice. [{sup 11}C]-1 was rapidly metabolized in vivo giving rise to a polar radiometabolite which was taken up into brain tissue. Conclusion: Our data suggest that [{sup 11}C]-1 preferably interacts with P-gp rather than BCRP at the murine BBB which questions its reported in vitro BCRP selectivity. Consequently, [{sup 11}C]-1 appears to be unsuitable as a PET tracer to map cerebral BCRP expression.

  5. Elucidation of the metabolites of the novel psychoactive substance 4-methyl-N-ethyl-cathinone (4-MEC) in human urine and pooled liver microsomes by GC-MS and LC-HR-MS/MS techniques and of its detectability by GC-MS or LC-MS(n) standard screening approaches.

    Science.gov (United States)

    Helfer, Andreas G; Turcant, Alain; Boels, David; Ferec, Séverine; Lelièvre, Bénédicte; Welter, Jessica; Meyer, Markus R; Maurer, Hans H

    2015-05-01

    4-methyl-N-ethcathinone (4-MEC), the N-ethyl homologue of mephedrone, is a novel psychoactive substance of the beta-keto amphetamine (cathinone) group. The aim of the present work was to study the phase I and phase II metabolism of 4-MEC in human urine as well as in pooled human liver microsome (pHLM) incubations. The urine samples were worked up with and without enzymatic cleavage, the pHLM incubations by simple deproteinization. The metabolites were separated and identified by gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-high resolution-tandem mass spectrometry (LC-HR-MS/MS). Based on the metabolites identified in urine and/or pHLM, the following metabolic pathways could be proposed: reduction of the keto group, N-deethylation, hydroxylation of the 4-methyl group followed by further oxidation to the corresponding 4-carboxy metabolite, and combinations of these steps. Glucuronidation could only be observed for the hydroxy metabolite. These pathways were similar to those described for the N-methyl homologue mephedrone and other related drugs. In pHLM, all phase I metabolites with the exception of the N-deethyl-dihydro isomers and the 4-carboxy-dihydro metabolite could be confirmed. Glucuronides could not be formed under the applied conditions. Although the taken dose was not clear, an intake of 4-MEC should be detectable in urine by the GC-MS and LC-MS(n) standard urine screening approaches at least after overdose.

  6. Ethyl anomaly in the nucleophilic substitution at a series of β-methylated alkyl RCH2Z and carbonyl RCOZ carbon centers for R = Me, Et, i-Pr, t-Bu, and Z = LG.

    Science.gov (United States)

    Sung, Dae Dong; Lee, Ikchoon

    2011-04-21

    We have carried out DFT studies to explore the cause of anomalously fast reaction rates of ethyl group (R = Et) in the gas-phase S(N)2 reactions of RCH(2)Cl+Cl(-) and RCH(CN)Cl+Cl(-), and also for those in the cationic forms of RCH(2)(+) and RCH(CN)(+) with R = Me, Et, i-Pr, and t-Bu. The TS stabilization by hyperconjugative donor-acceptor vicinal charge transfers (CTs) from R to the major NBOs at the reaction center carbon in the S(N)2 TSs were estimated using natural bond orbital (NBO) analyses. In all cases the hyperconjugative CT stabilization increases in the order R = t-Bu < i-Pr < Me < Et in agreement with the experimental as well as theoretical rate orders, exhibiting an ethyl anomaly. We have also determined the reorganization energies and hyperconjugative CTs from R to the two major NBOs, C-O(-) and C-N(+), in the tetrahedral intermediate formed with five water molecules, T(5w), by transformation of sp(2) to sp(3) centers in the reactions of RC(═O)OC(6)H(5) with NH(3). The reorganization energy is the lowest and CT stabilization is the strongest with R = Et in line with the fastest experimental rate. We conclude that C-H is a better donor than C-C bond orbital and hyperconjugative vicinal σ chain extension leads to a stronger CT stabilization in the TS. The stronger CT stabilization for R = Et rather than Me is achieved by enhanced hyperconjugative CT to the reaction center in the TS as a result of narrower energy gap and greater overlap brought about by long-range orbital mixing as the C-H σ-chain is extended from n = 2 for Me to n = 3 for Et. We find that CT properties of the all-trans vicinal hyprconjugative C-H σ-chains are closely analogous to the corresponding conjugative polyene π-chains although skeletal patterns of bridge bonds are different and the stabilization energy gained by extension of the σ-chain is much weaker than that gained by the π-chain.

  7. Ethyl 13-(4-chlorophenyl-11-methyl-6-oxo-5-phenyl-8-thia-3,4,5,10-tetraazatricyclo[7.4.0.02,7]trideca-1(9,2(7,3,10,12-pentaene-12-carboxylate

    Directory of Open Access Journals (Sweden)

    Elham A. Al-Taifi

    2016-05-01

    Full Text Available In the title molecule, C24H17ClN4O3S, the central tricyclic moiety is twisted slightly, as indicated by the dihedral angles of 4.86 (5 and 0.97 (6°, respectively, between the five-membered ring and the C3N3 and pyridyl rings. Additionally, the chlorobenzene ring makes a dihedral angle of 65.80 (5° with the pyridyl ring. Weak C—H...O, C—Cl...N [3.0239 (13 Å] and π–π stacking interactions [inter-centroid distance between thienyl rings = 3.6994 (8 Å, and between thienyl and pyridyl rings = 3.7074 (8 Å] contribute to the molecular packing. The ethyl group in the ester moiety is disordered over two sets of sites, with the major component having an occupancy of 0.567 (11.

  8. Purge and Trap Gas Chromatography-Cold Vapor Atomic Fluorescence Spectrometry Determination of Methyl Mercury and Ethyl Mercury in Marine Animals%P & T-GC-CVAFS法测定海产动物中的甲基汞和乙基汞

    Institute of Scientific and Technical Information of China (English)

    崔颖; 肖亚兵; 王禹; 高健会

    2016-01-01

    Marine animals sample was extracted with 30%nitric acid solution , and then adjusted the pH with 2 mol/L sodium acetate-acetic acid buffer solution. The eluate obtained was determined and identified by purge and trap gas chromatography-cold vapor atomic fluorescence spectrometry (P&T-GC-CVAFS). The propylation derivatization converted Methyl mercury (MeHg) to the more volatile methyl propyl mercury (MeHgPr), Ethyl mercury(EtHg) to the more volatile ethyl propyl mercury(EtHgPr), which could be concentrated through purge and trap system with a further clean-up of matrix. Tests for recovery were made by addition of standard MeHg and EtHg solutions at 3 different concentration levels to blank marine animals sample matrixes, values of MeHg recovery found were in the range from 80.5%to 103.2%, with RSDs (n=6) in the range from 1.7%to 6.9%;values of EtHg recovery found were in the range from 84.2%to 103.7%, with RSDs(n=6) in the range from 2.3%to 7.0%.%海产动物样品经过30%硝酸溶液提取,用2 mol/L醋酸钠-醋酸缓冲溶液调节pH后,用吹扫捕集-气相色谱-冷原子荧光光谱仪联用系统测定其中的甲基汞和乙基汞的含量。使用衍生试剂,将甲基汞转化为甲基丙基汞,乙基汞转化为乙基丙基汞,吹扫捕集进行富集并进一步消除基体干扰。以空白样品为基体,添加3种浓度水平的甲基汞和乙基汞标准溶液,测得甲基汞的回收率为80.5%~103.2%,相对标准偏差(n=6)为1.7%~6.9%;乙基汞的回收率在84.2%~103.7%,相对标准偏差(n=6)为2.3%~7.0%。

  9. Simultaneous determination of vanillin, methyl vanillin and ethyl vanillin in infant formulas byhigh performance liquid chromatography-tandem mass spectrometry method%高效液相色谱-串联质谱法同时测定婴幼儿配方食品中香兰素、甲基香兰素和乙基香兰素

    Institute of Scientific and Technical Information of China (English)

    肖锋; 张毅; 陈沛金; 侯乐锡; 易冰清; 岳振峰

    2014-01-01

    Objective A method is presented for the quantitative determination and confirmation of vanil-lin, methyl vanillin and ethyl vanillin in infant formulas by high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS). Methods Samples were extracted by Tris solution and acetonitrile. The supernatant was centrifuged and defatted byn-hexane before the 0.22μm filter apparatus was used, finally de-tected by HPLC/MS/MS and quantitated by external standard method.Results A good linearity of three compounds was obtained in the range of 5.0~200μg/L. The limits of detection of three compounds were 25μg/kg in liquid milk and 50μg/kg in milk powder. Mean recoveries of three compounds ranged from 89.5% to 115%. The relative standard deviation was less than 15.6%. Conclusion The method was proved to be a sim-ple, rapid, accurate and sensitive method and was successfully applied to detect vanillin, methyl vanillin and ethyl vanillin in infant formula.%目的:建立了高效液相色谱-串联质谱法同时测定婴幼儿食品中香兰素、甲基香兰素和乙基香兰素的方法。方法样品经 Tris 溶液和乙腈振荡提取,离心后提取液用正己烷脱脂过滤后上机测定,外标法定量。结果3种化合物在5.0~200μg/L范围内线性良好,在液态奶中测定低限均为25μg/kg,在奶粉中测定低限均为50μg/kg,方法加标收率在89.5%~115%之间,相对标准偏差(RSD)小于15.6%。结论该方法简便、快速,准确,灵敏度及精密度高,适用于婴幼儿食品中香兰素、甲基香兰素和乙基香兰素的测定。

  10. A Experimental Study on Renal Injury Caused By Methyl Ethyl Ketone Peroxide Burns in Zelanian White Rabbits%过氧化甲乙酮烧伤对新西兰大白兔肾损伤的实验性研究

    Institute of Scientific and Technical Information of China (English)

    魏智艺; 李小毅; 程君涛; 刘丁井

    2016-01-01

    目的:观察过氧化甲乙酮( methyl ethyl ketone peroxide, MEKP)烧伤对新西兰大白兔肾功能的影响及肾组织的病理变化,探讨MEKP烧伤致肾损伤的机制。方法将30只新西兰大白兔随机分为普通火焰烧伤组( A组)、MEKP烧伤组( B组)及对照组,每组10只。分别于0、1、2、4 h采集血液,观察3组血清肌酐( Scr)、尿素( BUN)水平的变化情况及肾组织形态学变化。结果3组伤后0 h Scr和BUN比较差异无统计学意义(P>0.05)。伤后1、2、4 h A、B组Scr、BUN均高于对照组,且B组高于A组(P0. 05);at 1, 2 and 4 h after burning, the Scr and BUN levels in group A and B were significantly higher than those in control group, and the levels in group B were higher than those in group A (P<0. 05, P<0. 01). Pathological signs of renal tissues included epithelial cell degeneration and necrosis of kidney tubule ( especially proximal tubule) and structural damage of renal glomerulus in group B. Conclusion The kidney injury mechanisms after MEKP burns are tissue ischemia and hypoxia and reperfusion injury. Meanwhile, methyl ethyl ketone peroxide was absorbed into a large amount of free radicals and organic acids pro-duced by blood metabolism, and it can induce lipid peroxidation of renal tubular epithelial cell and glomerular basal cell membranes, cellular metabolism disorder, which can cause further damage to renal tubular epithelial cell and renal glomer-ulus.

  11. Crystal structure of ethyl (1RS,6SR-4-(2-methyl-1H-imidazol-4-yl-2-oxo-6-(2,3,5-trichlorophenylcyclohex-3-ene-1-carboxylate

    Directory of Open Access Journals (Sweden)

    Billava J. Mohan

    2016-01-01

    Full Text Available The title compound, C19H17Cl3N2O3, has been prepared in a cyclocondensation reaction between 2,3,5-trichlorobenzaldehye and 4-acetyl-2-methyl-1H-imidazole. The cyclohexenone ring adopts an envelope conformation with the C atom substituted by the trichlorophenyl ring as the flap. The mutually trans ester and aryl substituents both occupy equatorial sites. In the crystal, a combination of N—H...O and C—H...N hydrogen bonds links the molecules into ribbons of edge-fused centrosymmetric rings, which enclose R22(14 and R44(16 alternate ring motifs, propagating along the b-axis direction.

  12. Crystal structure of (aceto­nitrile-κN)iodido­(2-(naphthalen-1-yl)-6-{1-[(2,4,6-tri­methyl­phen­yl)imino]ethyl}­pyridine-κ2 N,N′)copper(I)

    Science.gov (United States)

    Al-Najjar, Nada; Solan, Gregory A.; Singh, Kuldip

    2016-01-01

    In the mononuclear title complex, [CuI(C2H3N)(C26H24N2)], the CuI ion has a distorted tetra­hedral coordination environment, defined by two N atoms of the chelating 2-(naphthalen-1-yl)-6-[(2,4,6-tri­methyl­phen­yl)imino]­pyridine ligand, one N atom of an aceto­nitrile ligand and one iodide ligand. Within the complex, there are weak intra­molecular C—H⋯N hydrogen bonds, while weak inter­molecular C—H⋯I inter­actions between complex mol­ecules, help to facilitate a three-dimensional network. PMID:27980846

  13. A Study on Spectro-Analytical Aspects, DNA - Interaction, Photo-Cleavage, Radical Scavenging, Cytotoxic Activities, Antibacterial and Docking Properties of 3 - (1 - (6 - methoxybenzo [d] thiazol - 2 - ylimino) ethyl) - 6 - methyl - 3H - pyran - 2, 4 - dione and its Metal Complexes.

    Science.gov (United States)

    Ravi, Mudavath; Chennam, Kishan Prasad; Ushaiah, B; Eslavath, Ravi Kumar; Perugu, Shyam; Ajumeera, Rajanna; Devi, Ch Sarala

    2015-09-01

    The focus of the present work is on the design, synthesis, characterization, DNA-interaction, photo-cleavage, radical scavenging, in-vitro cytotoxicity, antimicrobial, docking and kinetic studies of Cu (II), Cd (II), Ce (IV) and Zr (IV) metal complexes of an imine derivative, 3 - (1 - (6 - methoxybenzo [d] thiazol - 2 - ylimino) ethyl) - 6 - methyl - 3H - pyran - 2, 4 - dione. The investigation of metal ligand interactions for the determination of composition of metal complexes, corresponding kinetic studies and antioxidant activity in solution was carried out by spectrophotometric methods. The synthesized metal complexes were characterized by EDX analysis, Mass, IR, (1)H-NMR, (13)C-NMR and UV-Visible spectra. DNA binding studies of metal complexes with Calf thymus (CT) DNA were carried out at room temperature by employing UV-Vis electron absorption, fluorescence emission and viscosity measurement techniques. The results revealed that these complexes interact with DNA through intercalation. The results of in vitro antibacterial studies showed the enhanced activity of chelating agent in metal chelated form and thus inferring scope for further development of new therapeutic drugs. Cell viability experiments indicated that all complexes showed significant dose dependent cytotoxicity in selected cell lines. The molecular modeling and docking studies were carried out with energy minimized structures of metal complexes to identify the receptor to metal interactions.

  14. Synthesis and characterization of Ni(II) and Zn(II) complexes of (furan-2-yl)methyl(2-(thiophen-2-yl)ethyl)dithiocarbamate (ftpedtc): X-ray structures of [Zn(ftpedtc)2(py)] and [Zn(ftpedtc)Cl(1,10-phen)

    Science.gov (United States)

    Jamuna Rani, Palanisamy; Thirumaran, Subbiah; Ciattini, Samuele

    2015-02-01

    Seven complexes of a new dithiocarbamate ligand (ftpedtc = (furan-2-yl)methyl(2-(thiophen-2-yl)ethyl)dithiocarbamate) namely [Ni(ftpedtc)2] (1), [Ni(ftpedtc)(NCS)(PPh3)] (2), [Ni(ftpedtc)(PPh3)2]ClO4 (3), [Zn(ftpedtc)2] (4), [Zn(ftpedtc)2(py)] (5), [Zn(ftpedtc)2(1,10-phen)] (6) and [Zn(ftpedtc)2(2,2‧-bipy] (7) have been prepared. The complexes were characterized by IR, UV-Vis and NMR (1H and 13C) spectroscopy. Single crystal X-ray structural analysis was carried out for complexes 5 and [Zn(ftpedtc)Cl(1,10-phen)] (8). Electronic spectral studies suggest square planar geometry for nickel complexes. The 13C NMR peaks of the group N13CS2 are found in all the cases, at around 205.0 ppm, which indicates the bidentate character of the dithiocarbamate ligand. X-ray structures of 5 and 8 show bidentate coordination by dithiocarbamate ligands and a distorted trigonal bipyramidal geometry for zinc, defined by NS4 and ClN2S2 donor sets, respectively. The packing in 8 involves π-π stacking interactions involving the 1,10-phenanthroline ring systems with the distance between ring centroids being 3.587 Å.

  15. SPECTROSCOPIC CHARACTERIZATION AND DETECTION OF ETHYL MERCAPTAN IN ORION

    Energy Technology Data Exchange (ETDEWEB)

    Kolesniková, L.; Alonso, J. L.; Daly, A. M. [Grupo de Espectroscopía Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopía y Bioespectroscopía, Parque Científico UVa, Unidad Asociada CSIC, Universidad de Valladolid, E-47011 Valladolid (Spain); Tercero, B.; Cernicharo, J. [Departamento de Astrofísica, Centro de Astrobiología CAB, CSIC-INTA, Ctra. de Torrejón a Ajalvir km 4, E-28850 Madrid (Spain); Gordon, B. P.; Shipman, S. T., E-mail: lucie.kolesnikova@uva.es, E-mail: jlalonso@qf.uva.es, E-mail: adammichael.daly@uva.es, E-mail: terceromb@cab.inta-csic.es, E-mail: jcernicharo@cab.inta-csic.es, E-mail: brittany.gordon@ncf.edu, E-mail: shipman@ncf.edu [Division of Natural Sciences, New College of Florida, Sarasota, FL 34243 (United States)

    2014-03-20

    New laboratory data of ethyl mercaptan, CH{sub 3}CH{sub 2}SH, in the millimeter- and submillimeter-wave domains (up to 880 GHz) provided very precise values of the spectroscopic constants that allowed the detection of gauche-CH{sub 3}CH{sub 2}SH toward Orion KL. This identification is supported by 77 unblended or slightly blended lines plus no missing transitions in the range 80-280 GHz. A detection of methyl mercaptan, CH{sub 3}SH, in the spectral survey of Orion KL is reported as well. Our column density results indicate that methyl mercaptan is ≅ 5 times more abundant than ethyl mercaptan in the hot core of Orion KL.

  16. Synthesis of 3-cyano-4-aryl-5-ethoxycarbonyl-6-methyl-3,4-dihydropyridine-2-thiones

    Energy Technology Data Exchange (ETDEWEB)

    Krauze, A.A.; Liepin' sh, E.E.; Pelcher, Yu.E.; Kalme, Z.A.; Dipan, I.V.; Dubur, G.Ya.

    1985-12-01

    The condensation of ethyl arylidenacetoacetate with cyanothioacetamide and of arylidenecyanothioacetamides with ethyl acetoacetate or of arylidenecyanothioacetamides with ethyl ..beta..-aminocrotonate gave 3-cyano-4-aryl-5-ethoxycarbonyl-6-methyl-3,4-dihydropyridine-2-thiones. PMR spectroscopy showed that the 3-cyano-4-aryl-3,4-dihydro-pyridine-2-thiones are formed as a mixture of cis and trans isomers.

  17. Development of continuous deglycerolisation reactor for ethyl ester production

    Directory of Open Access Journals (Sweden)

    Ruamporn Nikhom

    2014-12-01

    Full Text Available In this work, the development of continuous deglycerolisation (CD reactor for ethyl ester production was investigated to improve the ethyl ester conversion. The device to assist separation of glycerol, in the CD unit, integrates transesterification (mixing zone and separation (settling zone into one unit. For reversible transesterification, removing glycerol during reaction can drive the equilibrium to the product side in order to achieve high conversion. Two models of device to assist separation of glycerol have been carried out to investigate the suitable conditions for ethyl ester production. Results showed that the fin-type model could separate higher amount of glycerol from the reaction system in order to achieve high transesterification conversion. The suitable conditions found in this study were: molar ratio of oil to ethanol of 1:5, KOCH3 concentration of 1.6 %wt. retention time of 15 min and reaction temperature of 70°C. At these conditions, ethyl ester’s purity and yield were 97.3%wt. and 92.0%wt., respectively. In addition, the fuel properties of the final ethyl ester product met the biodiesel standard for methyl ester which specified by Department of Energy Business.

  18. Contribution to the study of the structure and reactivity of ketones using deuterium substitution of the {alpha} - ketone hydrogens; Contribution a l'etude de la structure et de la reactivite des cetones, par utilisation de la substitution deuteriee des hydrogenes {alpha}-cetoniques

    Energy Technology Data Exchange (ETDEWEB)

    Frejaville, G. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1966-02-01

    This work is an attempt to obtain more knowledge about the structure and the reactivity of ketones; it is also a contribution to conformational analysis based on infrared signals associated with the C-D vibration in mono-deuterated compounds. In the first chapter the various dosage and synthetic methods used in this work are described. In the second chapter the infrared spectra in the 2100-2200 cm{sup -1} region for mono-deuterated ketones are interpreted on the basis of a simple model. This model is then studied in detail, and also critically and precisely, in the case of the mono deuterated acetone molecule. In the third chapter is studied the mechanism of the Favorskii reaction and the reactivity of all the {alpha}-ketonic hydrogens of 2 chloro-cyclohexanone are classified. In a technical appendix is described a counter-current exchange method for obtaining a great variety of solvents and deuterated pure raw materials under advantageous conditions. (author) [French] Ce travail est un effort vers une meilleure connaissance de la structure et de la reactivite des cetones; c'est egalement une contribution a l'analyse conformationnelle d'apres l'etude des signaux infrarouges associes a la vibration C-D dans les composes monodeuteries. Dans le premier chapitre sont decrites les differentes methodes de dosage et de synthese qui ont ete utilisees dans ce travail. Dans le deuxieme chapitre, les spectres infrarouges dans la region 2100-2200 cm{sup -1} de cetones monodeuteriees sont interpretes sur la base d'un modele simple. Ce modele est ensuite etudie de facon detaillee, critique et precise sur la molecule d'acetone monodeuteriee. Dans le troisieme chapitre on etudie le mecanisme de la reaction de FAWORSKII et l'on classe la reactivite de tous les hydrogenes {alpha}-cetoniques de la chloro-2-cyclohexanone. Dons l'appendice technique on decrit la mise en oeuvre d'un appareil d'echange a contre-courant qui permet d

  19. Ethyl Radical Ejection During Photodecomposition of Butanone on TiO2(110)

    Energy Technology Data Exchange (ETDEWEB)

    Henderson, Michael A.

    2008-10-15

    The photodecomposition of acetone and butanone were examined on the (110) surface of rutile TiO2 using temperature programmed desorption (TPD) and photon stimulated desorption (PSD). In both cases, photodecomposition was proceeded by a required thermal reaction between the adsorbed ketone and coadsorbed oxygen resulting in a diolate species. The diolate photodecomposed by ejection of an organic radical from the surface leaving behind a carboxylate species. In the acetone case, only methyl radical PSD was detected and acetate was left on the surface. In the butanone case there was a possibility of either methyl or ethyl radical ejection, with propionate or acetate left behind, respectively. However, only ethyl radical PSD was detected and the species left on the surface (acetate) was the same as in the acetone case. The preference for ethyl radical ejection is linked to the greater thermal stability of the ethyl radical over that of the methyl radical. Unlike in the acetone case, where the ejected methyl radicals did not participate in thermal chemistry on the TiO2(110) surface after photoactivation of the acetone diolate, ethyl radicals photodesorbing at 100 K from butanone diolate showed a preference for dehydrogenation to ethene through the influence of coadsorbed oxygen. These results reemphasize the mechanistic importance of organic radical production during photooxidation reactions on TiO2 surface. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  20. A Facile Synthesis of Ethyl 2,4-Dimethoxy-6-perfluoroalkylbenzoates via Acyclic Precursors

    Institute of Scientific and Technical Information of China (English)

    CAO,Wei-Guo(曹卫国); SHI,Zhi-Jian(施志坚); FAN,Chun(范纯); SUN,Ru-Shu(孙汝淑)

    2004-01-01

    The acyclic precursors, methyl 3-perfluoroalkyl-4-carbethoxy-5-methoxy-6-(triphenylphospboranylidene)hexa2,4-dienoates (4) were obtained via the addition reaction of ethyl 3-methoxy-4-(triphenylphosphoranylidene)but-2-enoate (2) with equally molar methyl 2-perfluoroalkynoates (3). Ethyl 2,4-dimethoxy-6-perfluoroalkylbenzoates (5)were synthesized in high yield via an intramolecular elimination of Ph3PO of 4 by heating in anhydrous benzene in a sealed tube. The structure of these compounds was confirmed by IR, 1H, 13C, 2D C-H cosy NMR and mass spectra and elemental analyses. The possible reaction mechanisms were also proposed.

  1. Involvement of matrix metalloproteinases in the inhibition of cell invasion and migration through the inhibition of NF-[kappa]B by the new synthesized ethyl 2-[N-p-chlorobenzyl-(2'-methyl)]anilino-4-oxo-4,5-dihydrofuran-3-carboxylate (JOTO1007) in human cervical cancer Ca ski cells.

    Science.gov (United States)

    Huang, An-Cheng; Hsu, Shu-Chun; Kuo, Chao-Lin; Liao, Ching-Lung; Lai, Kuang-Chi; Lin, Tsung-Ping; Wu, Shin-Hwar; Lu, Hsu-Feng; Tang, Nou-Ying; Yang, Jai-Sing; Chung, Jing-Gung

    2009-01-01

    JOTO1007 (ethyl 2-[N-p-chlorobenzyl-(2'-methyl)] anilino-4-oxo-4,5-dihydrofuran -3-carboxylate) has anticancer effects in human cervical cancer Ca Ski cells. However, its mechanism of action on the cell migration and invasion of human cervical cancer Ca Ski cells is not fully understood. In this study, firstly, the effects of JOTO1007 on the migration and invasion of Ca Ski cells were examined by using matrigel counting. The results showed that JOTO1007 suppressed the migration and invasion of the Ca Ski cells. Secondly, the effect of JOTO1007 on the levels of proteins associated with cell metastasis was examined using Western blotting. The results indicated that JOTO1007 inhibited the levels of son of sevenless homolog 1 (SOS-1), growth factor receptor-bound protein 2 (GRB2), Ras homolog gene family, member A (RhoA), Rho-associated, coiled-coil containing protein kinase 1 (ROCK-1), focal adhesion kinase (FAK), phosphorylated-c-jun (p-c-jun), nuclear factor kappa B (NF-kappaB) p65, cyclooxygenase-2 (COX-2), extracellular signal-regulated kinases 1/2 (ERK1/2), matrix metalloproteinase-2 (MMP-2), MMP-7 and MMP-9 but promoted the levels of protein kinase C (PKC), phosphoinositide 3-kinases (PI3K), MAP kinase kinase kinase 3 (MEKK3), mitogen-activated protein kinase kinase 7 (MKK7), c-jun and inducible nitric oxide synthases (iNOS), while not affecting Ras, phosphorylated-ERK (p-ERK), p38 and c-jun N-terminal kinase 1/2 (JNK1/2), which finally led to the inhibition of migration and invasion of the Ca Ski cells in vitro. Overall, JOTO1007 inhibited NF-kappaB which then led to the inhibition of the MMP-2, -7 and -9 expression followed by the inhibition of migration and invasion in the Ca Ski cells.

  2. pH-sensitive micelles self-assembled from multi-arm star triblock co-polymers poly(ε-caprolactone)-b-poly(2-(diethylamino)ethyl methacrylate)-b-poly(poly(ethylene glycol) methyl ether methacrylate) for controlled anticancer drug delivery.

    Science.gov (United States)

    Yang, You Qiang; Zhao, Bin; Li, Zhen Dong; Lin, Wen Jing; Zhang, Can Yang; Guo, Xin Dong; Wang, Ju Fang; Zhang, Li Juan

    2013-08-01

    A series of amphiphilic 4- and 6-armed star triblock co-polymers poly(ε-caprolactone)-b-poly(2-(diethylamino)ethyl methacrylate)-b-poly(poly(ethylene glycol) methyl ether methacrylate) (4/6AS-PCL-b-PDEAEMA-b-PPEGMA) were developed by a combination of ring opening polymerization and continuous activators regenerated by electron transfer atom transfer radical polymerization. The critical micelle concentration values of the star co-polymers in aqueous solution were extremely low (2.2-4.0mgl(-1)), depending on the architecture of the co-polymers. The self-assembled blank and doxorubicin (DOX)-loaded three layer micelles were spherical in shape with an average size of 60-220nm determined by scanning electron microscopy and dynamic light scattering. The in vitro release behavior of DOX from the three layer micelles exhibited pH-dependent properties. The DOX release rate was significantly accelerated by decreasing the pH from 7.4 to 5.0, due to swelling of the micelles at lower pH values caused by the protonation of tertiary amine groups in DEAEMA in the middle layer of the micelles. The in vitro cytotoxicity of DOX-loaded micelles to HepG2 cells suggested that the 4/6AS-PCL-b-PDEAEMA-b-PPEGMA micelles could provide equivalent or even enhanced anticancer activity and bioavailability of DOX and thus a lower dosage is sufficient for the same therapeutic efficacy. The results demonstrate that the pH-sensitive multilayer micelles could have great potential application in delivering hydrophobic anticancer drugs for improved cancer therapy.

  3. 5-Ethyl-3-(3-fluorophenylsulfonyl-2-methyl-1-benzofuran

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2011-05-01

    Full Text Available In the title compound, C17H15FO3S, the fluorophenyl ring makes a dihedral angle of 76.11 (5° with the mean plane of the benzofuran fragment. In the crystal, molecules are linked by weak intermolecular C—H...O hydrogen bonds and C—H...π interactions.

  4. 5-Ethyl-3-(2-fluorophenylsulfonyl-2-methyl-1-benzofuran

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2012-10-01

    Full Text Available In the title compound, C17H15FO3S, the 2-fluorophenyl ring makes a dihedral angle of 89.12 (8° with the mean plane of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O and C—H...π interactions.

  5. 40 CFR 799.2700 - Methyl ethyl ketoxime.

    Science.gov (United States)

    2010-07-01

    ... study plans, conduct tests, and submit data. All persons who manufacture (including import) or process... submit letters of intent to conduct testing, submit study plans, conduct tests and submit data, or submit... tissue specimens (e.g., brain, cord, ganglia) may be embedded together in one single block for sectioning...

  6. Ethyl 5-methyl-1H-pyrrole-2-carboxylate

    Directory of Open Access Journals (Sweden)

    Zhao-Po Zhang

    2011-07-01

    Full Text Available In the title molecule, C8H11NO2, the r.m.s. deviation of non-H atoms from their best plane is 0.031 Å. Molecules are connected via a pair of N—H...O hydrogen bonds into a centrosymmetric dimer.

  7. ANALYSIS OF COCONUT ETHYL ESTER (BIODIESEL) AND ...

    African Journals Online (AJOL)

    ANALYSIS OF COCONUT ETHYL ESTER (BIODIESEL) AND FOSSIL DIESEL BLENDING: PROPERTIES AND CORROSION CHARACTERISTICS. ... resulting coconut oil ethyl ester (COEE) was blended with fossil diesel (B0). ... Article Metrics.

  8. Deuterium Exchange in Ethyl Acetoacetate: An Undergraduate GC-MS [Gas Chromatography-Mass Spectroscopy] Experiment

    Science.gov (United States)

    Heinson, C. D.; Williams, J. M.; Tinnerman, W. N.; Malloy, T. B.

    2005-01-01

    The role of ethanol O-d in nullifying the deuterolysis may be demonstrated by determining that transesterification of methyl acetoacetate of the ethyl ester occurs as well as deuterium exchange of the five acetoacetate hydrogens. The significant acidity of the methylene protons in the acetoacetate group, the efficacy of base catalysis, the role of…

  9. 21 CFR 172.868 - Ethyl cellulose.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ethyl cellulose. 172.868 Section 172.868 Food and... Multipurpose Additives § 172.868 Ethyl cellulose. The food additive ethyl cellulose may be safely used in food in accordance with the following prescribed conditions: (a) The food additive is a cellulose...

  10. 21 CFR 573.420 - Ethyl cellulose.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Ethyl cellulose. 573.420 Section 573.420 Food and... Listing § 573.420 Ethyl cellulose. The food additive ethyl cellulose may be safely used in animal feed in accordance with the following prescribed conditions: (a) The food additive is a cellulose ether...

  11. 21 CFR 184.1293 - Ethyl alcohol.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ethyl alcohol. 184.1293 Section 184.1293 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN... Substances Affirmed as GRAS § 184.1293 Ethyl alcohol. (a) Ethyl alcohol (ethanol) is the chemical C2H5OH....

  12. Catalyst-free ethyl biodiesel production from rice bran under subcritical condition

    Science.gov (United States)

    Zullaikah, Siti; Afifudin, Riza; Amalia, Rizky

    2015-12-01

    In-situ ethyl biodiesel production from rice bran under subcritical water and ethanol with no catalyst was employed. This process is environmentally friendly and is very flexible in term of feedstock utilization since it can handle relatively high moisture and free fatty acids (FFAs) contents. In addition, the alcohol, i.e. bioethanol, is a non-toxic, biodegradable, and green raw material when produced from non-edible biomass residues, leading to a 100% renewable biodiesel. The fatty acid ethyl esters (FAEEs, ethyl biodiesel) are better than fatty acid methyl esters (FAMEs, methyl biodiesel) in terms of fuel properties, including cetane number, oxidation stability and cold flow properties. The influences of the operating variables such as reaction time (1 - 10 h), ethanol concentration (12.5 - 87.5%), and pressurizing gas (N2 and CO2) on the ethyl biodiesel yield and purity have been investigated systematically while the temperature and pressure were kept constant at 200 °C and 40 bar. The optimum results were obtained at 5 h reaction time and 75% ethanol concentration using CO2 as compressing gas. Ethyl biodiesel yield and purity of 58.78% and 61.35%, respectively, were obtained using rice bran with initial FFAs content of 37.64%. FFAs level was reduced to 14.22% with crude ethyl biodiesel recovery of 95.98%. Increasing the reaction time up to 10 h only increased the yield and purity by only about 3%. Under N2 atmosphere and at the same operating conditions (5h and 75% ethanol), ethyl biodiesel yield and purity decreased to 54.63% and 58.07%, respectively, while FFAs level was increased to 17.93% and crude ethyl biodiesel recovery decreased to 87.32%.

  13. Spectroscopic characterization and detection of Ethyl Mercaptan in Orion

    OpenAIRE

    Kolesniková, L.,; Tercero, B.; Cernicharo, J.; Alonso, J. L.; Daly, A. M.; Gordon, B. P.; Shipman, S. T.

    2014-01-01

    New laboratory data of ethyl mercaptan, CH$_{3}$CH$_{2}$SH, in the millimeter and submillimeter-wave domains (up to 880 GHz) provided very precise values of the spectroscopic constants that allowed the detection of $gauche$-CH$_3$CH$_2$SH towards Orion KL. 77 unblended or slightly blended lines plus no missing transitions in the range 80-280 GHz support this identification. A detection of methyl mercaptan, CH$_{3}$SH, in the spectral survey of Orion KL is reported as well. Our column density ...

  14. Pallidol hexaacetate ethyl acetate monosolvate

    Directory of Open Access Journals (Sweden)

    Qinyong Mao

    2013-07-01

    Full Text Available The entire molecule of pallidol hexaacetate {systematic name: (±-(4bR,5R,9bR,10R-5,10-bis[4-(acetyloxyphenyl]-4b,5,9b,10-tetrahydroindeno[2,1-a]indene-1,3,6,8-tetrayl tetraacetate} is completed by the application of twofold rotational symmetry in the title ethyl acetate solvate, C40H34O12·C4H8O2. The ethyl acetate molecule was highly disordered and was treated with the SQUEEZE routine [Spek (2009. Acta Cryst. D65, 148–155]; the crystallographic data take into account the presence of the solvent. In pallidol hexaacetate, the dihedral angle between the fused five-membered rings (r.m.s. deviation = 0.100 Å is 54.73 (6°, indicating a significant fold in the molecule. Significant twists between residues are also evident as seen in the dihedral angle of 80.70 (5° between the five-membered ring and the pendent benzene ring to which it is attached. Similarly, the acetate residues are twisted with respect to the benzene ring to which they are attached [C—O(carboxy—C—C torsion angles = −70.24 (14, −114.43 (10 and −72.54 (13°]. In the crystal, a three-dimensional architecture is sustained by C—H...O interactions which encompass channels in which the disordered ethyl acetate molecules reside.

  15. 27 CFR 21.108 - Ethyl ether.

    Science.gov (United States)

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Ethyl ether. 21.108 Section 21.108 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT....108 Ethyl ether. (a) Odor. Characteristic odor. (b) Specific gravity at 15.56 °/15.56 °C. Not...

  16. Ethyl Formate: A Potential Disinfestation Treatment for Eucalyptus Weevil (Gonipterus platensis) (Coleoptera: Curculionidae) in Apples.

    Science.gov (United States)

    Agarwal, Manjree; Ren, Yonglin; Newman, James; Learmonth, Stewart

    2015-12-01

    Export of Pink Lady apples from Australia has been significantly affected by infestations of adult eucalyptus weevils (Gonipterus platensis Marelli). These weevils cling tenaciously to the pedicel of apple fruit when selecting overwintering sites. As a result, apples infested with live G. platensis adults lead to rejection for export. Since the Montreal Protocol restricted use of methyl bromide as postharvest treatment, it was necessary to consider alternative safer fumigants for disinfestation of eucalyptus weevil. Laboratory experiments were conducted using concentrations of 5, 10, 15, 20, 25, 30, 40, and 80 mg/liter of ethyl formate. Complete control (100% mortality) was achieved at 25-30 mg/liter of ethyl formate at 22-24°C for 24-h exposure without apples. However, with 90-95% of the volume full of apples, complete control was achieved at 40 mg/liter of ethyl formate at 22-24°C for 24-h exposure. No phytotoxicity was observed and after one day aeration, residue of ethyl formate declined to natural levels (0.05-0.2 mg/kg). Five ethyl formate field trials were conducted in cool storages (capacity from 250-900 tons) and 100% kill of eucalyptus weevils were achieved at 50-55 mg/liter at 7-10°C for 24 h. Ethyl formate has great potential for preshipment treatment of apples. Its use is considerably cheaper and safer than already existing fumigants like methyl bromide and phosphine.

  17. Conformational analysis of ethyl-substituted Criegee intermediate by FTMW spectroscopy

    Science.gov (United States)

    Cabezas, Carlos; Guillemin, Jean-Claude; Endo, Yasuki

    2016-12-01

    Ethyl-substituted Criegee intermediate, C2H5CHOO, has been generated in the discharged plasma of a 1,1-diiodopropane/O2 gas mixture and spectroscopically characterized by Fourier transform microwave spectroscopy in a pulsed supersonic jet. The comparison between the experimental rotational constants and those calculated ab initio unambiguously confirms the identification of three conformers, providing the definitive probe for their molecular structures. Some of the observed pure rotational transitions show small splittings corresponding to the A/E components due to the threefold methyl internal rotation, which made it possible to determine the barrier heights of the hindered methyl rotation. The conformational abundances as well as the non observation of a plausible fourth conformer have been rationalized in terms of interconversion processes between conformers and interactions between the terminal oxygen and the protons of the ethyl moiety.

  18. Biodegradation of chlorimuron-ethyl by the bacterium Klebsiella jilinsis 2N3.

    Science.gov (United States)

    Zhang, Hao; Zhang, Xianghui; Mu, Wenhui; Wang, Jiaxiu; Pan, Hongyu; Li, Yu

    2010-08-01

    Enrichment culturing of sludge taken from an industrial wastewater treatment pond led to the identification of a bacterium (Klebsiella jilinsis H. Zhang) that degrades chlorimuron-ethyl with high efficiency. Klebsiella jilinsis strain 2N3 grows with chlorimuron-ethyl as the sole nitrogen source at the optimal temperature range of 30-35 degrees C and pH values between 6.0-7.0. In liquid medium, the degradation activity was further induced by chlorimuron-ethyl. Degradation rates followed the pesticide degradation kinetic equation at concentrations between 20 and 200 mg L(-1). Using initial concentrations of 20 and 100 mg L(-1), the degradation rates of chlorimuron-ethyl were 83.5 % and 92.5 % in 12 hours, respectively. At an initial concentration higher than 200 mg L(-1), the degradation rate decreased slightly as the concentration increased. The 2N3 strain also degraded the sulfonylurea herbicides ethametsulfuron, metsulfuron-methyl, nicosulfuron, rimsulfuron, and tribenuron-methyl. This study provides scientific evidence and support for the application of K. jilinsis in bioremediation to reduce environmental pollution.

  19. Overmodulation Control in the Optimization of a H-PDLC Device with Ethyl Eosin as Dye

    Directory of Open Access Journals (Sweden)

    Manuel Ortuño

    2013-01-01

    Full Text Available The response of a H-PDLC device is improved by means of a two-step method. First, component optimization—initiator system, crosslinker, and cosolvent—enables the diffraction efficiency of the hologram to be maximized. Second, the use of N-methyl-2-pyrrolidone in combination with N-vinyl-2-pyrrolidone prevents the overmodulation in photopolymers containing ethyl eosin.

  20. Degradation of chlorimuron-ethyl by Aspergillus niger isolated from agricultural soil.

    Science.gov (United States)

    Sharma, Seema; Banerjee, Kaushik; Choudhury, Partha P

    2012-12-01

    Chlorimuron-ethyl, ethyl-2-[[[[(4-methoxy-6-chloro-pyrimidin-2-yl)amino]carbonyl]amino] sulfonyl]benzoate, is used as a pre- and postemergence herbicide for the control of important broadleaved weeds in soybean and maize. Due to its phytotoxicity to rotation crops, concerns regarding chlorimuron contamination of soil and water have been raised. Although it is degraded in the agricultural environment primarily via pH- and temperature-dependent chemical hydrolysis, microbial transformation also has an important role. Fungi such as Fusarium and Alternaria are unable to survive in artificial media containing chlorimuron-ethyl at 25 mg L(-1) . However, Aspergillus niger survived in minimal broth containing chlorimuron at 2 mg mL(-1) . Aspergillus niger degraded the herbicide to harvest energy through two major routes of degradation. One route involves the cleavage of the sulfonylurea bridge, resulting in the formation of two major metabolites, namely ethyl-2-aminosulfonylbenzoate (I) and 4-methoxy-6-chloro-2-amino-pyrimidine (II). The other route is the cleavage of sulfonylamide linkage, which generates the metabolite N-(4-methoxy-6-chloropyrimidin-2-yl) urea (III). Two other metabolites, saccharin (IV) and N-methyl saccharin (V), formed from metabolite II, were also identified. A metabolic pathway for the degradation of chlorimuron-ethyl by A. niger has been proposed.

  1. Enzymatic production of biodiesel from microalgal oil using ethyl acetate as an acyl acceptor.

    Science.gov (United States)

    Alavijeh, Razieh Shafiee; Tabandeh, Fatemeh; Tavakoli, Omid; Karkhane, Aliasghar; Shariati, Parvin

    2015-01-01

    Microalgae have become an important source of biomass for biodiesel production. In enzymatic transesterification reaction, the enzyme activity is decreased in presence of alcohols. The use of different acyl acceptors such as methyl/ethyl acetate is suggested as an alternative and effective way to overcome this problem. In this study, ethyl acetate was used for the first time in the enzymatic production of biodiesel by using microalga, Chlorella vulgaris, as a triglyceride source. Enzymatic conversion of such fatty acids to biodiesel was catalyzed by Novozym 435 as an efficient immobilized lipase which is extensively used in biodiesel production. The best conversion yield of 66.71% was obtained at the ethyl acetate to oil molar ratio of 13:1 and Novozym 435 concentration of 40%, based on the amount of oil, and a time period of 72 h at 40℃. The results showed that ethyl acetate have no adverse effect on lipase activity and the biodiesel amount was not decreased even after seven transesterification cycles, so ethyl acetate has a great potential to be substituted for short-chain alcohols in transesterification reaction.

  2. Oxidation of ethyl ether on borate glass: chemiluminescence, mechanism, and development of a sensitive gas sensor.

    Science.gov (United States)

    Hu, Jing; Xu, Kailai; Jia, Yunzhen; Lv, Yi; Li, Yubao; Hou, Xiandeng

    2008-11-01

    A gas sensor was developed by using the chemiluminescence (CL) emission from the oxidation of ethyl ether by oxygen in the air on the surface of borate glass. Theoretical calculation, together with experimental investigation, revealed the main CL reactions: ethyl ether is first oxidized to acetaldehyde and then to acetic acid, during which main luminous intermediates such as CH 3CO (*) are generated and emit light with a peak at 493 nm. At a reaction temperature of 245 degrees C, the overall maximal emission was found at around 460 nm, and the linear range of the CL intensity versus the concentration of ethyl ether was 0.12-51.7 microg mL (-1) ( R = 0.999, n = 7) with a limit of detection (3sigma) of 0.04 microg mL (-1). Interference from foreign substances including alcohol (methanol, ethanol and isopropanol), acetone, ethyl acetate, n-hexane, cyclohexane, dichloromethane, or ether ( n-butyl ether, tetrahydrofuran, propylene oxide, isopropyl ether and methyl tert-butyl ether) was not significant except a minimal signal from n-butyl ether (ethyl ether.

  3. Tropane ethyl esters in illicit cocaine: isolation, detection, and determination of new manufacturing by-products from the clandestine purification of crude cocaine base with ethanol.

    Science.gov (United States)

    Casale, John F; Boudreau, Danielle K; Jones, Laura M

    2008-05-01

    Seven ethyl homologues of known tropane esters have recently been detected as impurities in the gas chromatographic signature profiles of authentic Peruvian illicit cocaine base and hydrochloride exhibits. Peruvian cocaine base processors are now known to use ethanol for the purification of crude cocaine base. This process is referred to as the "base lavada" or "washed base" process and is a recent substitute method for the potassium permanganate oxidation purification methodology. Seven ethyl ester homologues were formed in illicit cocaine from the transesterification of known tropane methyl esters or possibly ethyl esterification of their respective tropane C-2 carboxylic acids in the presence of ethanol. Exhibits containing these compounds were subjected to gas chromatographic-mass spectrometric analyses to determine their identity and were subsequently synthesized to verify their structures. Quantitative determinations were obtained from ion-pair chromatography isolation followed by gas chromatography with flame ionization detection. Specifically, hexanoylecgonine ethyl ester, cocaethylene, cis-cinnamoylecgonine ethyl ester, trans-cinnamoylecgonine ethyl ester, 3',4',5'-trimethoxybenzoylecgonine ethyl ester, cis-3',4',5'-trimethoxycinnamoylecgonine ethyl ester, and trans-3',4',5'-trimethoxycinnamoylecgonine ethyl ester were detected and characterized. When present, these compounds were detected at levels ranging from 8.6 x 10(-4) to 9.3 x 10(-1)% relative to cocaine.

  4. Synthesis and crystal structure of ethyl benzimidazole-2-yl phosphonate

    Institute of Scientific and Technical Information of China (English)

    HU, Fang-Zhong; WENG, Lin-Hong; YANG, Hua-Zheng; ZOU, Xiao-Mao

    2000-01-01

    When N-cyanoimido- ( O, O-diethyl ) phosphonyl/ S-methyl thiocarbonate (1) was treated with o-phenylenediamine in the presence of Et3N in ethanol, diethyl benzimidazole-2-yl recrys phonate(2) was obtained and hydrolyzed during the recrys tallization in MeOH/H2O, generating ethyl benzimidazole-2-yl phosphonate(3). The crystal structure of compound 3 was determined by X-ray diffraction method. The crystals belong to monoclinic, space rgoup C2/c, a=1.78408(18), b=O. 83725(9), c=1.67401(18) nm, β= 118.997(2)°, v=2. 1870(4) nm3, z=8, Dc=1.374g/cm3, F(000)=944.The final R and wR are 0.0499 and 0.1436, respectively. The mechanism of the above reaction is also discussed.

  5. Hydroxide as general base in the saponification of ethyl acetate.

    Science.gov (United States)

    Mata-Segreda, Julio F

    2002-03-13

    The second-order rate constant for the saponification of ethyl acetate at 30.0 degrees C in H(2)O/D(2)O mixtures of deuterium atom fraction n (a proton inventory experiment) obeys the relation k(2)(n) = 0.122 s(-1) M(-1) (1 - n + 1.2n) (1 - n + 0.48n)/(1 - n + 1.4n) (1 - n + 0.68n)(3). This result is interpreted as a process where formation of the tetrahedral intermediate is the rate-determining step and the transition-state complex is formed via nucleophilic interaction of a water molecule with general-base assistance from hydroxide ion, opposite to the direct nucleophilic collision commonly accepted. This mechanistic picture agrees with previous heavy-atom kinetic isotope effect data of Marlier on the alkaline hydrolysis of methyl formate.

  6. Mutagenic Action of Ethyl Methanesulfonate in Maize.

    Science.gov (United States)

    Neuffer, M G; Ficsor, G

    1963-03-29

    Pollen of corn plants carrying three closely linked genes (alpha beta Sh(2)) on chromosome 3 were treated by ethyl methanesulfonate in order to determine the nature of genetic changes produced. In this genetic material the loss of the beta gene alone represents a discrete genetic change, possibly a point mutation, while the loss of two or more markers represents chromosome aberrations. Ethyl methanesulfonate, x-rays, and ultraviolet light all induced numerous chromosome aberrations, but only ultraviolet light and probably ethyl methanesulfonate induced discrete genetic changes.

  7. DNA Methylation

    OpenAIRE

    Alokail, Majed S.; Alenad, Amal M.

    2015-01-01

    The DNA of E. coli contains 19,120 6-methyladenines and 12,045 5-methylcytosines in addition to the four regular bases and these are formed by the postreplicative action of three DNA methyltransferases. The majority of the methylated bases are formed by the Dam and Dcm methyltransferases encoded by the dam (DNA adenine methyltransferase) and dcm (DNA cytosine methyltransferase) genes. Although not essential, Dam methylation is important for strand discrimination during repair of replication e...

  8. Crystal structure of dimethyl 2-((2Z,5Z)-5-(2-meth-oxy-2-oxo-ethyl-idene)-2-{(E)-[2-methyl-5-(prop-1-en-2-yl)cyclo-hex-2-enyl-idene]hydrazinyl-idene}-4-oxo-thia-zolidin-3-yl)fumarate.

    Science.gov (United States)

    N'ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Auhmani, Abdelwahed; Daran, Jean-Claude

    2017-02-01

    The crystal structure and the conformation of the title compound, C22H27N3O7S, were determined from the synthetic pathway and by X-ray analysis. This compound is a new 4-thia-zolidinone derivative prepared and isolated as pure product from thio-semicarbazone carvone. The mol-ecule is built up from an oxo-thia-zolidine ring tetra-substituted by a meth-oxy-oxo-ethyl-idene, a maleate, an oxygen and a cyclo-hexyl-idene-hydrazone. The cyclo-hexyl-idene ring is statistically disordered over two positions, resulting in an inversion of configuration for the substituted carbon.

  9. Synthesis and characterization of phosphonates from methyl linoleate and vegetable oils

    Science.gov (United States)

    Phosphonates were synthesized on a medium scale (~200 g) from three lipids: methyl linoleate (MeLin), high-oleic sunflower oil (HOSO) and soybean oil (SBO), and three dialkyl phosphites: methyl, ethyl and n-butyl, using a radical initiator. A staged addition of the lipid and the initiator to the dia...

  10. Synthesis and characterization of phosphonates from methyl linoleate and vegetable oils

    Science.gov (United States)

    Phosphonates were synthesized on a medium scale (~200 g) from three lipids: methyl linoleate (MeLin), high-oleic sunflower oil (HOSO), and soybean oil (SBO), and three dialkyl phosphites: methyl, ethyl, and n-butyl, using radical initiator. A staged addition of the lipid and the initiator was needed...

  11. Vapor Pressure of Methyl Salicylate and n-Hexadecane

    Science.gov (United States)

    2014-01-01

    and n-hexadecane are similar to those of sulfur mustard (HD) and VX , respectively. 15. SUBJECT TERMS Methyl salicylate Vapor pressure Volatility...2- chloroethyl) sulfide (HD) and O-ethyl-S-(2-diisopropylaminoethyl) methylphosphonothiolate ( VX ), respectively. Vapor pressure similarities make... gas chromatographic (GC) equipment and methodology, and as before, the GC was equipped with a flame-ionization detector. Saturator calibration and

  12. DNA methylation

    DEFF Research Database (Denmark)

    Williams, Kristine; Christensen, Jesper; Helin, Kristian

    2012-01-01

    DNA methylation is involved in key cellular processes, including X-chromosome inactivation, imprinting and transcriptional silencing of specific genes and repetitive elements. DNA methylation patterns are frequently perturbed in human diseases such as imprinting disorders and cancer. The recent...... discovery that the three members of the TET protein family can convert 5-methylcytosine (5mC) into 5-hydroxymethylcytosine (5hmC) has provided a potential mechanism leading to DNA demethylation. Moreover, the demonstration that TET2 is frequently mutated in haematopoietic tumours suggests that the TET...... proteins are important regulators of cellular identity. Here, we review the current knowledge regarding the function of the TET proteins, and discuss various mechanisms by which they contribute to transcriptional control. We propose that the TET proteins have an important role in regulating DNA methylation...

  13. Desvenlafaxinium chloranilate ethyl acetate solvate

    Directory of Open Access Journals (Sweden)

    Manpreet Kaur

    2013-10-01

    Full Text Available In the cation of the title compound, C16H26NO2+·C6HCl2O4−·C4H8O2, the 1-hydroxy-cyclohexyl ring adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the 1-hydroxycyclohexyl and 4-hydroxyphenyl rings is 84.0 (8°. In the anion, the hydroxyl H atom is twisted slightly out of the ring plane with a C—C—O—H torsion angle of −171.9°. Disorder was modeled for the methyl group of the acetate group in the solvate with an occupancy ratio of 0.583 (15: 0.417 (15. In the crystal, O—H...O hydrogen bonds are observed between cations and between cations and anions, while bifuricated N—H...(O,O cation–anion hydrogen bonds are also present, forming chains along [010] and [100]. In addition weak cation–anion and cation–solvate C—H...O interactions occur.

  14. Crystal structure of dimethyl 2-((2Z,5Z)-5-(2-meth­oxy-2-oxo­ethyl­idene)-2-{(E)-[2-methyl-5-(prop-1-en-2-yl)cyclo­hex-2-enyl­idene]hydrazinyl­idene}-4-oxo­thia­zolidin-3-yl)fumarate

    Science.gov (United States)

    N’ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Auhmani, Abdelwahed; Daran, Jean-Claude

    2017-01-01

    The crystal structure and the conformation of the title compound, C22H27N3O7S, were determined from the synthetic pathway and by X-ray analysis. This compound is a new 4-thia­zolidinone derivative prepared and isolated as pure product from thio­semicarbazone carvone. The mol­ecule is built up from an oxo­thia­zolidine ring tetra­substituted by a meth­oxy–oxo­ethyl­idene, a maleate, an oxygen and a cyclo­hexyl­idene–hydrazone. The cyclo­hexyl­idene ring is statistically disordered over two positions, resulting in an inversion of configuration for the substituted carbon. PMID:28217362

  15. Product study of the photolysis of ketene and ethyl ethynyl ether at 193.3 nm.

    Science.gov (United States)

    Fockenberg, Christopher

    2005-08-18

    The product distributions of the excimer laser photolysis of ketene (CH2CO) and ethyl ethynyl ether (C2H5OCCH) at lambda = 193.3 nm (ArF) were studied using a time-of-flight mass spectrometer (TOFMS) as an analytical tool. Ketene was photolyzed in bath gases consisting of mixtures of He and H2/D2 at various mixing ratios at constant total pressures of 4 Torr and temperature of about 300 K. Singlet methylene (1CH2) produced in the photolysis of ketene was almost instantaneously converted either to triplet methylene (3CH2) or to methyl radicals in collisions with He and H2 or D2. By extrapolating the methyl and methylene signals to zero time after photolysis, initial concentrations of these radicals were obtained. Analyzing the initial 3CH2 and CH3 concentrations as functions of hydrogen-to-helium ratios as well as simulating the observed traces of reactant and product species resulted in 1CH2 + CO (66 +/- 8)%, as the main product channel of the ketene photolysis with smaller contributions from HCCO + H (17 +/- 7)% and 3CH2 + CO (6 +/- 9)%. Hydrogen atoms, acetylene, ethylene, ethyl, and ketenyl radicals, and small amounts of ketene were observed as primary products of the ethyl ethynyl ether photolysis. Quantification of C2H2, C2H4, C2H5, and CH2CO product leads to a HCCO yield of (91 +/- 14)%.

  16. Excess molar volumes and viscosities for binary mixtures of 3-heptanone + ethyl acetate, 3-heptanone + butyl acetate, 3-heptanone + tributyl phosphate,and methyl isobutyl ketone + tributyl phosphate%3-庚酮+乙酸乙酯、3-庚酮+乙酸丁酯、3-庚酮+TBP、MIBK+ TBP二元体系的过量摩尔体积和黏度

    Institute of Scientific and Technical Information of China (English)

    杨得岭; 林晓; 曹宏斌; 李以圭; 张懿

    2012-01-01

    Densities and viscosities of four binary mixtures of 3-heptanone + ethyl acetate, 3-heptanone + butyl acetate, 3-heptanone + tributyl phosphate and methyl isobutyl ketone + tributyl phosphate were determined from 293. 15 K to 318. 15 K under atmospheric pressure using Anton Paar DMA5000 vibrating-tube densimeter and Anton Paar AMVn automated micro viscometer. From the experimental data of density and viscosity, the excess molar volumes VE and viscosity deviation △η were calculated and correlated with the Redlich-Kister polynomial equation. The viscosities of the mixtures were correlated by Orrick-Erbar (OE) group-contribution method. And the new group-contribution parameters A and B for (-O)3-P=O group were obtained. The results show that the improved Orrick-Erbar equation is able to predict the viscosities for mixtures from their pure solvents and the deviation is acceptable in engineering applications.%常压下测定了3-庚酮+乙酸乙酯、3-庚酮+乙酸丁酯、3-庚酮+磷酸三丁酯(TBP)、4-甲基-2-戊酮(MI-BK)+磷酸三丁酯4个二元体系在293.15~318.15 K下的密度和黏度值,计算了二元体系的过量摩尔体积VE和过量黏度△η,并用Redlich-Kister方程对VE和△η进行了关联.混合溶剂的黏度数据采用Orrick-Erbar(O-E)基团贡献法进行了关联和预测,增加了O-E方法中的(-O)3-P=O基团贡献值.结果表明,O-E方法可根据现有的纯溶剂的黏度数据预测得到混合溶剂的黏度,平均误差小于15%.

  17. Solid acid catalysed formation of ethyl levulinate and ethyl glucopyranoside from mono- and disaccharides

    DEFF Research Database (Denmark)

    Shunmugavel, Saravanamurugan; Riisager, Anders

    2012-01-01

    Sulfonic acid functionalised SBA-15 (SO3H-SBA-15), sulfated zirconia and beta, Y, ZSM-5 and mordenite zeolite catalysts have been applied for the dehydration of sugars to ethyl levulinate and ethyl-D-glucopyranoside (EDGP) using ethanol as solvent and reactant. The SO3H-SBA-15 catalyst showed...... a high catalytic activity for the selective conversion of fructose to ethyl levulinate (57%) and glucose to EDGP (80%) at 140 °C, whereas the disaccharide sucrose yielded a significant amount of both products. The SO3H-SBA-15 catalysts were found to be highly active compared to the zeolites under...

  18. Fierce Competition in China's Ethyl Acetate Market

    Institute of Scientific and Technical Information of China (English)

    Wang Zichang

    2007-01-01

    @@ Ethyl acetate is used extensively in the coatings, inks, pharmaceuticals,adhesives, cosmetics and organic synthesis sectors. With the sustained stable growth of China's national economy, the construction and automobile sectors are developing rapidly and environmental protection laws and regulations are becoming stricter.

  19. 2-Ethyl-6-methylanilinium 4-methylbenzenesulfonate

    Directory of Open Access Journals (Sweden)

    Jiao Ye

    2009-02-01

    Full Text Available The title compound, C9H14N+·C7H7SO3−, contains a 2-ethyl-6-methylanilinium cation and a 4-methylbenzenesulfonic anion. The cations are anchored between the anions through N—H...O hydrogen bonds. Electrostatic and van der Waals interactions, as well as hydrogen bonds, maintain the structural cohesion.

  20. Manufacturing Ethyl Acetate From Fermentation Ethanol

    Science.gov (United States)

    Rohatgi, Naresh K.; Ingham, John D.

    1991-01-01

    Conceptual process uses dilute product of fermentation instead of concentrated ethanol. Low-concentration ethanol, extracted by vacuum from fermentation tank, and acetic acid constitutes feedstock for catalytic reaction. Product of reaction goes through steps that increases ethyl acetate content to 93 percent by weight. To conserve energy, heat exchangers recycle waste heat to preheat process streams at various points.

  1. N-Ethyl-2-[1-(2-hy-droxy-4-methyl-phen-yl)ethyl-idene]hydrazinecarbo-thio-amide.

    Science.gov (United States)

    Anderson, Brian J; Hall, Jeffrey R; Jasinski, Jerry P

    2014-06-01

    The title compound, C12H17N3OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the hydrazinecarbo-thio-amide group are 6.9 (4) and 37.2 (5)° in mol-ecules A and B, respectively. An intra-molecular O-H⋯N hydrogen bond is observed in each mol-ecule. This serves to maintain an approximately planar conformation for mol-ecule A, but leaves a significant twist between these two groups in mol-ecule B. In the crystal, a weak N-H⋯S inter-action is observed, forming inversion dimers among the B mol-ecules and resulting in an R 2 (2)(8) motif. These dimers are further inter-connected by weak N-H⋯O and C-H⋯O inter-molecular inter-actions, forming chains along [011].

  2. {[1-(2-Amino-ethyl-amino)-1-methyl-ethyl]phospho-nato-κN,N',O}chloridopalladium(II) monohydrate.

    Science.gov (United States)

    Dudko, Anatolij; Bon, Vladimir; Kozachkova, Alexandra; Tsaryk, Natalia; Pekhnyo, Vasily

    2010-01-20

    In the title compound, [Pd(C(5)H(14)N(2)O(3)P)Cl]·H(2)O, the Pd(II) atom shows a slightly distorted square-planar geometry and forms two five-membered metallacycles, which both exhibit half-chair conformations. The crystal structure consists of layers propogating in the [100] direction which are connected into a three-dimensional network by strong N-H⋯Cl, N-H⋯O and O-H⋯O hydrogen bonds.

  3. Synthesis of 7-Ethyl-10-hydroxycamptothecin and Proposed Reaction Mechanism

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The improved 3-step preparation of a key antitumor agent, 7-ethyl-10-hydroxycamptothecin(SN-38), which consists of ethylation, oxidation and photo-chemical rearrangement, is described. The proposed reaction mechanism is also discussed.

  4. Experimental and Kinetic Modeling Study of Ethyl Levulinate Oxidation in a Jet-Stirred Reactor

    KAUST Repository

    Wang, Jui-Yang

    2017-06-01

    A jet-stirred reactor was designed and constructed in the Clean Combustion Research Center (CCRC) at King Abdullah University of Science and Technology (KAUST); was validated with n-heptane, iso-octane oxidation and cyclohexene pyrolysis. Different configurations of the setup have been tested to achieve good agreement with results from the literature. Test results of the reactor indicated that installation of a pumping system at the downstream side in the experimental apparatus was necessary to avoid the reoccurrence of reactions in the sampling probe. Experiments in ethyl levulinate oxidation were conducted in the reactor under several equivalence ratios, from 600 to 1000 K, 1 bar and 2 s residence time. Oxygenated species detected included methyl vinyl ketone, levulinic acid and ethyl acrylate. Ethylene, methane, carbon monoxide, hydrogen, oxygen and carbon dioxide were further quantified with a gas chromatography, coupled with a flame ionization detector and a thermal conductivity detector. The ethyl levulinate chemical kinetic model was first developed by Dr. Stephen Dooley, Trinity College Dublin, and simulated under the same conditions, using the Perfect-Stirred Reactor code in Chemkin software. In comparing the simulation results with experimental data, some discrepancies were noted; predictions of ethylene production were not well matched. The kinetic model was improved by updating several classes of reactions: unimolecular decomposition, H-abstraction, C-C and C-O beta-scissions of fuel radicals. The updated model was then compared again with experimental results and good agreement was achieved, proving that the concerted eliminated reaction is crucial for the kinetic mechanism formulation of ethyl levulinate. In addition, primary reaction pathways and sensitivity analysis were performed to describe the role of molecular structure in combustion (800 and 1000 K for ethyl levulinate oxidation in the jet-stirred reactor).

  5. Transesterification of vegetable oils with ethanol and characterization of the key fuel properties of ethyl esters

    Energy Technology Data Exchange (ETDEWEB)

    Anastopoulos, G.; Zannikou, Y.; Stournas, S. [National Technical University of Athens, School of Chemical Engineering, Laboratory of Fuels Technology and Lubricants, Iroon Polytechniou 9, Athens 15780 (Greece); Kalligeros, S. [Hellenic Organization for Standardization, Technical Committee 66, 67 Prevezis Street, Athens, 10444 (Greece)

    2009-07-01

    The transesterification reactions of four different vegetable oils (sunflower, rapeseed, olive oil and used frying oil) with ethanol, using sodium hydroxide as catalyst, were studied. The ester preparation involved a two-step transesterification reaction, followed by purification. The effects of the mass ratio of catalyst to oil (0.25 - 1.5%), the molar ratio of ethanol to oil (6:1 - 12:1), and the reaction temperature (35 - 90 {sup o}C) were studied for the conversion of sunflower oil to optimize the reaction conditions in both stages. The rest of the vegetable oils were converted to ethyl esters under optimum reaction parameters. The optimal conditions for first stage transesterification were an ethanol/oil molar ratio of 12:1, NaOH amount (1% wt/wt), and 80 {sup o}C temperature, whereas the maximum yield of ethyl esters reached 81.4% wt/wt. In the second stage, the yield of ethyl esters was improved by 16% in relation with the one-stage transesterification, which was obtained under the following optimal conditions: catalyst concentration 0.75% and ethanol/oil molar ratio 6:1. The fuel properties of the esters were measured according to EN test methods. Based on the experimental results one can see that the ethyl esters do not differ significantly from methyl esters. Moreover, the results showed that the values of density, viscosity, and higher heating value of ethyl esters were similar to those of automotive and heavy duty engine diesel fuel. However, the CFPP values were higher, which may contribute to potential difficulties in cold starts. On the other hand, the flash points, which were higher than those of diesel fuel constituted a safety guarantee from the point of view of handling and storage. (author)

  6. Transesterification of Vegetable Oils with Ethanol and Characterization of the Key Fuel Properties of Ethyl Esters

    Directory of Open Access Journals (Sweden)

    Stamoulis Stournas

    2009-06-01

    Full Text Available The transesterification reactions of four different vegetable oils (sunflower, rapeseed, olive oil and used frying oil with ethanol, using sodium hydroxide as catalyst, were studied. The ester preparation involved a two-step transesterification reaction, followed by purification. The effects of the mass ratio of catalyst to oil (0.25 – 1.5%, the molar ratio of ethanol to oil (6:1 – 12:1, and the reaction temperature (35 – 90 °C were studied for the conversion of sunflower oil to optimize the reaction conditions in both stages. The rest of the vegetable oils were converted to ethyl esters under optimum reaction parameters. The optimal conditions for first stage transesterification were an ethanol/oil molar ratio of 12:1, NaOH amount (1% wt/wt, and 80 °C temperature, whereas the maximum yield of ethyl esters reached 81.4% wt/wt. In the second stage, the yield of ethyl esters was improved by 16% in relation with the one-stage transesterification, which was obtained under the following optimal conditions: catalyst concentration 0.75% and ethanol/oil molar ratio 6:1. The fuel properties of the esters were measured according to EN test methods. Based on the experimental results one can see that the ethyl esters do not differ significantly from methyl esters. Moreover, the results showed that the values of density, viscosity, and higher heating value of ethyl esters were similar to those of automotive and heavy duty engine diesel fuel. However, the CFPP values were higher, which may contribute to potential difficulties in cold starts. On the other hand, the flash points, which were higher than those of diesel fuel constituted a safety guarantee from the point of view of handling and storage.

  7. Methyl gallate

    Directory of Open Access Journals (Sweden)

    Silvina Pagola

    2009-02-01

    Full Text Available The crystal structure of the title compound (systematic name: methyl 3,4,5-trihydroxybenzoate, C8H8O5, is composed of essentially planar molecules [maximum departures from the mean carbon and oxygen skeleton plane of 0.0348 (10 Å]. The H atoms of the three hydroxyl groups, which function as hydrogen-bond donors and acceptors simultaneously, are oriented in the same direction around the aromatic ring. In addition to two intramolecular hydrogen bonds, each molecule is hydrogen bonded to six others, creating a three-dimensional hydrogen-bonded network.

  8. 46 CFR 151.50-42 - Ethyl ether.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Ethyl ether. 151.50-42 Section 151.50-42 Shipping COAST... LIQUID HAZARDOUS MATERIAL CARGOES Special Requirements § 151.50-42 Ethyl ether. (a)(1) Gravity tanks... liquid. (g) Precautions shall be taken to prevent the contamination of ethyl ether by strong...

  9. Evaluation of the Synergistic Effect Between Ethyl Formate and Phospine for Control of Aphis gossypii (Homoptera: Aphididae).

    Science.gov (United States)

    Lee, Byung Ho; Kim, Hye Min; Kim, Bong Soo; Yang, Jeong Oh; Moon, Young Mi; Ren, Yonglin

    2016-02-01

    Cotton aphid, Aphis gossypii Glover, is known as a quarantine pest that is hard to control with short periods of fumigation with phosphine (PH(3)) or low concentrations of ethyl formate. Moreover, low-temperature fumigation with ethyl formate can lead to phototoxic damage of some perishable commodities. Therefore, a laboratory study was conducted to evaluate the synergistic effect of mixing ethyl formate and PH(3) for the treatment of adults and nymphs of A. gossypii. Combined toxicity was observed and compared with a single dose of eitherrethyl formate or PH(3). When insects were exposed to 0.5 g/m(3) of PH(3) combined with different levels of ethyl formate from 1.6 to 16.3 g/m(3) at 5 and 20C for 2 h, L(Ct)(50) and L(Ct)(99) values were greatly reduced in comparison with a single dose of either ethyl formate or PH(3). The synergistic ratio (SR) is described as L(Ct) of ethyl formate alone/L(Ct) of ethyl formate + PH(3). The SR values of L(Ct)(50) and L(Ct)(99) for adult A. gossypii at 5C were 4.55 and 2.33, respectively. However, at 20C the SR levels of L(Ct)(50) and L(Ct)(99) were 2.22 and 1.45, respectively, but still showed significant synergism (significant difference, P<0.5). This new technology could meet quarantine and preshipment requirements for shorter exposure times and less damage of perishable commodities, and could also be extended for controlling other quarantine pests and thereby be a useful alternative to methyl bromide for fruit and vegetable applications.

  10. Improved efficacy of ethyl formate against stored grain insects by combination with carbon dioxide in a 'dynamic' application.

    Science.gov (United States)

    Haritos, Victoria S; Damcevski, Katherine A; Dojchinov, Greg

    2006-04-01

    Ethyl formate is being evaluated as a fumigant for stored grain as it is a potential alternative to the ozone-depleting fumigant methyl bromide and to phosphine, which is under pressure owing to the development of strong resistance in stored grain insects. However, use of ethyl formate faces significant challenges, such as poor penetration through grain, significant losses to grain sorption, high concentrations of fumigant required to control insects, and flammability risks, which have limited its further development. In this study it was found that the combination of carbon dioxide (5-20%) with ethyl formate significantly enhanced efficacy of the fumigant against external living stages of the rice weevil, Sitophilus oryzae (L.), the lesser grain borer, Rhyzopertha dominica F., and the flour beetle, Tribolium castaneum (Herbst). Dynamic application of ethyl formate and carbon dioxide mixture (100 mg litre-1 ethyl formate, 20% CO2) pumped through a model silo containing wheat (50 kg) for one gas exchange was also investigated. A flow rate of 6 litres min-1 gave a relatively even distribution of fumigant throughout the grain column and similar mortality levels among cultures of S. oryzae and T. castaneum placed at three positions, the top, middle and bottom of the column. Mortality of 99.8% of mixed stage cultures of T. castaneum and 95.1% of S. oryzae was achieved in 3 h exposures to 111 and 185 mg ethyl formate h litre-1 respectively applied by the dynamic method. It is concluded that the combination of carbon dioxide with ethyl formate and dynamic application enhances distribution and efficacy of the fumigant against stored grain insects.

  11. 1-Ethyl-2-phenyl-3-[2-(trimethylsilylethynyl]-1H-indole

    Directory of Open Access Journals (Sweden)

    Iaroslav Baglai

    2013-06-01

    Full Text Available The title compound, C21H23NSi, was synthesized by Sonogashira-type reaction of 1-ethyl-3-iodo-2-phenyl-1H-indole with trimethylsilylacetylene. The indole ring system is nearly planar [maximum atomic deviation = 0.0244 (15 Å] and is oriented at a dihedral angle of 51.48 (4° with respect to the phenyl ring. The supramolecular aggregation is completed by weak C—H...π interactions of the methylene and phenyl groups with the benzene and pyrrole rings of the indole ring system. The methyl groups of the trimethylsilyl unit are equally disordered over two sets of sites.

  12. Successful topical dissolution of cholesterol gallbladder stones using ethyl propionate.

    Science.gov (United States)

    Hofmann, A F; Amelsberg, A; Esch, O; Schteingart, C D; Lyche, K; Jinich, H; Vansonnenberg, E; D'Agostino, H B

    1997-06-01

    Topical dissolution of cholesterol gallbladder stones using methyl tert-butyl ether (MTBE) is useful in symptomatic patients judged too ill for surgery. Previous studies showed that ethyl propionate (EP), a C5 ester, dissolves cholesterol gallstones rapidly in vitro, but differs from MTBE in being eliminated so rapidly by the liver that blood levels remain undetectable. Our aim was to test EP as a topical dissolution agent for cholesterol gallbladder stones. Five high-risk patients underwent topical dissolution of gallbladder stones by EP. In three patients, the solvent was instilled via a cholecystostomy tube placed previously to treat acute cholecystitis; in two patients, a percutaneous transhepatic catheter was placed in the gallbladder electively. Gallstone dissolution was assessed by chromatography, by gravimetry, and by catheter cholecystography. Total dissolution of gallstones was obtained in four patients after 6-10 hr of lavage; in the fifth patient, partial gallstone dissolution facilitated basketing of the stones. In two patients, cholesterol dissolution was measured and averaged 30 mg/min. Side effects were limited to one episode of transient hypotension and pain at the infusion site; no patient developed somnolence or nausea. Gallstone elimination was associated with relief of symptoms. EP is an acceptable alternative to MTBE for topical dissolution of cholesterol gallbladder stones in high-risk patients. The lower volatility and rapid hepatic extraction of EP suggest that it may be preferable to MTBE in this investigational procedure.

  13. Ethyl gallate displays elicitor activities in tobacco plants.

    Science.gov (United States)

    Goupil, Pascale; Benouaret, Razik; Richard, Claire

    2017-09-29

    Alkyl gallates showed elicitor activities on tobacco in both whole plants and cell suspensions. Methyl gallate (MG), ethyl gallate (EG) and propyl gallate (PG) infiltration into tobacco leaves induced hypersensitive reaction-like lesions and topical production of autofluorescent compounds revealed under UV light. When sprayed on tobacco plants at 5 mM, EG promoted upregulation of defence-related genes such as the antimicrobial PR1, -1,3-glucanase PR2, chitinase PR3 and osmotin PR5 target genes. Tobacco BY-2 cells challenged with EG underwent cell death in 48 h, significantly reduced in the presence of the protease inhibitor aprotinin. The three alkyl gallates all caused alkalinisation of the BY-2 extracellular medium, whereas gallic acid did not trigger any pH variation. Using EGTA or LaCl3, we showed that Ca2+ mobilisation occurred in BY-2 cells elicited with EG. Overall, our findings are the first evidence of alkyl gallate elicitor properties with early perception events on plasma membrane, potential hypersensitive reactions and PR-related downstream defence responses in tobacco.

  14. Synthesis of Ethyl Salicylate Using Household Chemicals

    Science.gov (United States)

    Solomon, Sally; Hur, Chinhyu; Lee, Alan; Smith, Kurt

    1996-02-01

    Ethyl salicylate is synthesized, isolated, and characterized in a three-step process using simple equipment and household chemicals. First, acetylsalicylic acid is extracted from aspirin tablets with isopropyl alcohol, then hydrolyzed to salicylic acid with muriatic acid, and finally, the salicylic acid is esterified using ethanol and a boric acid catalyst. The experiment can be directed towards high school or university level students who have sufficient background in organic chemistry to recognize the structures and reactions that are involved.

  15. 40 CFR 721.3152 - Ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl...

    Science.gov (United States)

    2010-07-01

    ...-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl sulfates (salts). 721.3152 Section 721... Ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl sulfates... ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl...

  16. Chemical and thermochemical aspects of the ozonolysis of ethyl oleate: decomposition enthalpy of ethyl oleate ozonide.

    Science.gov (United States)

    Cataldo, Franco

    2013-01-01

    Neat ethyl oleate was ozonized in a bubble reactor and the progress of the ozonolysis was followed by infrared (FT-IR) spectroscopy and by the differential scanning calorimetry (DSC). The ozonolysis was conducted till a molar ratio O3/C=C≈1 when the exothermal reaction spontaneously went to completion. A specific thermochemical calculation on ethyl oleate ozonation has been made to determine the theoretical heat of the ozonization reaction using the group increment approach. A linear relationship was found both in the integrated absorptivity of the ozonide infrared band at 1110 cm(-1) and the ozonolysis time as well as the thermal decomposition enthalpy of the ozonides and peroxides formed as a result of the ozonation. The DSC decomposition temperature of ozonated ethyl oleate occurs with an exothermal peak at about 150-155 °C with a decomposition enthalpy of 243.0 kJ/mol at molar ratio O3/C=C≈1. It is shown that the decomposition enthalpy of ozonized ethyl oleate is a constant value (≈243 kJ/mol) at any stage of the O3/C=C once an adequate normalization of the decomposition enthalpy for the amount of the adsorbed ozone is taken into consideration. The decomposition enthalpy of ozonized ethyl oleate was also calculated using a simplified thermochemical model, obtaining a result in reasonable agreement with the experimental value.

  17. Theoretical study of the decomposition of ethyl and ethyl 3-phenyl glycidate.

    Science.gov (United States)

    Josa, Daniela; Peña-Gallego, Angeles; Rodríguez-Otero, Jesús; Cabaleiro-Lago, Enrique M

    2013-01-01

    The mechanism of the decomposition of ethyl and ethyl 3-phenyl glycidate in gas phase was studied by density functional theory (DFT) and MP2 methods. A proposed mechanism for the reaction indicates that the ethyl side of the ester is eliminated as ethylene through a concerted six-membered cyclic transition state, and the unstable intermediate glycidic acid decarboxylates rapidly to give the corresponding aldehyde. Two possible pathways for glycidic acid decarboxylation were studied: one via a five-membered cyclic transition state, and the other via a four-membered cyclic transition state. The results of the calculations indicate that the decarboxylation reaction occurs via a mechanism with five-membered cyclic transition state.

  18. Pulse radiolysis of aqueous solutions of ethyl acrylate and hydroxy ethyl acrylate

    Science.gov (United States)

    Safrany, A.; Biro, A.; Wojnarovits, L.

    1993-10-01

    Ethyl- and hydroxy ethyl acrylate show high reactivities with hydrated electron and hydroxyl radical intermediates of water radiolysis. The electron adduct reversibly protonate with pK values of 5.7 and 7.3. The adducts may take part in irreversible protonation at the β carbon atom forming α-carboxyl alkyl radicals. Same type of radical forms in reaction of acrylates with OH: at low concentration the adduct mainly disappear in self termination reactions. Above 5 mmol dm -1 the signals showed the startup of oligomerization.

  19. The Rotational Spectrum and Conformational Structures of Methyl Valerate

    Science.gov (United States)

    Nguyen, Ha Vinh Lam; Stahl, Wolfgang

    2015-06-01

    Methyl valerate, C4H9COOCH3, belongs to the class of fruit esters, which play an important role in nature as odorants of different fruits, flowers, and wines. A sufficient explanation for the structure-odor relation of is not available. It is known that predicting the odor of a substance is not possible by knowing only its chemical formula. A typical example is the blueberry- or pine apple-like odor of ethyl isovalerate while its isomers ethyl valerate and isoamyl acetate smell like green apple and banana, respectively. Obviously, not only the composition but also the molecular structures are not negligible by determining the odor of a substance. Gas phase structures of fruit esters are thus important for a first step towards the determination of structure-odor relation since the sense of smell starts from gas phase molecules. For this purpose, a combination of microwave spectroscopy and quantum chemical calculations (QCCs) is an excellent tool. Small esters often have sufficient vapor pressure to be transferred easily in the gas phase for a rotational study but already contain a large number of atoms which makes them too big for classical structure determination by isotopic substitution and requires nowadays a comparison with the structures optimized by QCCs. On the other hand, the results from QCCs have to be validated by the experimental values. About the internal dynamics, the methoxy methyl group -COOCH3 of methyl acetate shows internal rotation with a barrier of 424.581(56) wn. A similar barrier height of 429.324(23) wn was found in methyl propionate, where the acetyl group is extended to the propionyl group. The investigation on methyl valerate fits well in this series of methyl alkynoates. In this talk, the structure of the most energetic favorable conformer as well as the internal rotation shown by the methoxy methyl group will be reported. It could be confirmed that the internal rotation barrier of the methoxy methyl group remains by longer alkyl chain.

  20. Interação de glyphosate com carfentrazone-ethyl Glyphosate - carfentrazone-ethyl interaction

    Directory of Open Access Journals (Sweden)

    R.C. Werlang

    2002-04-01

    Full Text Available Foi conduzido um experimento em condições controladas para determinar a interação do carfentrazone-ethyl em mistura no tanque com o herbicida glyphosate, no controle de seis espécies de plantas daninhas. Glyphosate aplicado isoladamente na dose de 720 g ha-1 foi eficaz no controle de Amaranthus hybridus (100%, Desmodium tortuosum (100%, Bidens pilosa (99%, Eleusine indica (96%, Digitaria horizontalis (100% e Commelina benghalensis (93% aos 21 DAA. Carfentrazone-ethyl aplicado isoladamente controlou eficazmente C. benghalensis. As misturas de glyphosate nas doses de 252 e 720 g ha-1 com carfentrazone-ethyl nas doses de 15 e 30 g ha¹ demonstraram efeito aditivo no controle de A. hybridus, D. tortuosum e Bidens pilosa, à exceção das misturas de glyphosate na dose de 252 g ha-1 com as doses de 15 e 30 g ha-1 de carfentrazone-ethyl, que proporcionam efeito sinergístico no controle de D. tortuosum. A adição das duas doses de carfentrazone-ethyl antagonizou o efeito de glyphosate na menor dose (252 g ha-1 no controle de E. indica, apresentando, no entanto, efeito aditivo com o glyphosate na maior dose (720 g ha-1. Já para D. horizontalis, as misturas de carfentrazone-ethyl com glyphosate na menor dose (252 g ha-1 apresentaram efeito sinergístico no controle dessa espécie, demonstrando, ainda, efeito aditivo na mistura com glyphosate na dose de 720 g ha-1. A mistura de carfentrazone-ethyl com glyphosate proporcionou efeito aditivo no controle de C. benghalensis, independentemente das combinações de doses avaliadas. Os resultados deste experimento indicam que carfentrazone-ethyl apresenta comportamento diferenciado quanto à interação com glyphosate, dependendo da espécie de planta daninha e da dose dos herbicidas utilizados na mistura em tanque, sendo complementar na mistura em tanque com glyphosate, pois demonstrou efeito antagônico em poucas das combinações estudadas, prevalecendo seu efeito aditivo na mistura com glyphosate, no

  1. A convenient method to generate methylated and un-methylated control DNA in methylation studies

    Directory of Open Access Journals (Sweden)

    Mehdi Manoochehri

    2013-09-01

    Full Text Available Methylated and un-methylated control DNA is an important part of DNA methylation studies. Although human and mouse DNA methylation control sets are commercially available, in case of methylation studies on other species such as animals, plants, and bacteria, control sets need to be prepared. In this paper a simple method of generating methylated and un-methylated control DNA is described. Whole genome amplification and enzymatic methylation were performed to generate un-methylated and methylated DNA. The generated DNA were confirmed using methylation sensitive/dependant enzymes, and methylation specific PCR. Control reaction assays confirmed the generated methylated and un-methylated DNA.

  2. Contact dermatitis caused by ethyl alcohol

    Directory of Open Access Journals (Sweden)

    Pasricha J

    1990-01-01

    Full Text Available A 45-year-old lady developed itching and burning sensation in the right cubital fossa, 10 minutes after local application of blue spirit, for withdrawing blood. Erythematous papulo-vesicular lesion appeared in the area after about 8 hours and the dermatitis subsided completely in 5 days with topical fluocinolone acetonide. Two weeks later, she noticed itching and a mild dermatitis on the finger-tips on holding a spirit swab between her fingers. Patch tests resulted in severe papulo-vesicular reactions with blue spirit and absolute ethyl alcohol, but negative reaction with copper sulphate.

  3. Third trimester phthalate exposure is associated with DNA methylation of growth-related genes in human placenta

    Science.gov (United States)

    Zhao, Yan; Chen, Jiao; Wang, Xiu; Song, Qi; Xu, Hui-Hui; Zhang, Yun-Hui

    2016-09-01

    Strong evidence implicates maternal phthalate exposure during pregnancy in contributing to adverse birth outcomes. Recent research suggests these effects might be mediated through the improper regulation of DNA methylation in offspring tissue. In this study, we examined associations between prenatal phthalate exposure and DNA methylation in human placenta. We recruited 181 mother-newborn pairs (80 fetal growth restriction newborns, 101 normal newborns) in Wenzhou, China and measured third trimester urinary phthalate metabolite concentrations and placental DNA methylation levels of IGF2 and AHRR. We found urinary concentrations of mono (2-ethyl-5- hydroxyhexyl) phthalate (MEHHP), and mono (2-ethyl-5-oxohexyl) phthalate (MEOHP) were significantly inversely associated with placental IGF2 DNA methylation. The associations were much more evident in fetal growth restriction (FGR) newborns than those in normal newborns. These findings suggest that changes in placental DNA methylation might be part of the underlying biological pathway between prenatal phthalate exposure and adverse fetal growth.

  4. Third trimester phthalate exposure is associated with DNA methylation of growth-related genes in human placenta

    Science.gov (United States)

    Zhao, Yan; Chen, Jiao; Wang, Xiu; Song, Qi; Xu, Hui-Hui; Zhang, Yun-Hui

    2016-01-01

    Strong evidence implicates maternal phthalate exposure during pregnancy in contributing to adverse birth outcomes. Recent research suggests these effects might be mediated through the improper regulation of DNA methylation in offspring tissue. In this study, we examined associations between prenatal phthalate exposure and DNA methylation in human placenta. We recruited 181 mother-newborn pairs (80 fetal growth restriction newborns, 101 normal newborns) in Wenzhou, China and measured third trimester urinary phthalate metabolite concentrations and placental DNA methylation levels of IGF2 and AHRR. We found urinary concentrations of mono (2-ethyl-5- hydroxyhexyl) phthalate (MEHHP), and mono (2-ethyl-5-oxohexyl) phthalate (MEOHP) were significantly inversely associated with placental IGF2 DNA methylation. The associations were much more evident in fetal growth restriction (FGR) newborns than those in normal newborns. These findings suggest that changes in placental DNA methylation might be part of the underlying biological pathway between prenatal phthalate exposure and adverse fetal growth. PMID:27653773

  5. Dipole Moments of Methyl - Substituted Cyclohexanone

    Energy Technology Data Exchange (ETDEWEB)

    Ka, Soo Hyun; Kim, Ji Hyun; Oh, Jung Jin [Sookmyung Women' s University, Seoul (Korea, Republic of)

    2011-01-15

    The microwave spectrum of 3-methylcyclopentanone has been studied and the dipole components Ιμ{sub a}Ι = 2.97(2), Ιμ{sub b}Ι = 1.00(3), Ιμ{sub c}Ι = 0.18(5), and ΙμtotΙ = 3.14(3) D were reported. These were consistent with a twisted-ring conformation with a methyl group in the equatorial position. The conformation of 3-, 4-methyl cyclohexanone in its ground state has been reported to be a chair form with the methyl group in the equatorial position. The resonance enhanced multiphoton ionization (REMPI) method has been applied to methyl- and ethyl- derivatives of cyclohexanone to investigate the various conformers as well as cyclic ketone and cyclic ether including oxygen. The structural information was compared with ab initio density functional theory to calculate not only the structure of cyclohexanone, but the vibrational spectra of isotopomers of cyclohexanone as well. The information was compared with electron diffraction structure and liquid-phase IR spectra.

  6. 2-(5-Fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-ylacetic acid

    Directory of Open Access Journals (Sweden)

    Hong Dae Choi

    2012-04-01

    Full Text Available The title compound, C14H15FO3S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-ylacetate. In the crystal, molecules are linked via pairs of O—H...O hydrogen bonds, forming inversion dimers. These dimers are connected by weak C—H...O hydrogen bonds.

  7. 2,6-Bis(9-ethyl-9H-carbazolylmethylenecyclohexanone

    Directory of Open Access Journals (Sweden)

    Abdullah M. Asiri

    2009-10-01

    Full Text Available The title compound, 2,6-bis(ethyl-9-ethyl-9H-carbazolylmethylenecyclohexanone has been synthesized by condensation of 9-ethylcarbazole-3-aldehyde and cyclohexanone in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.

  8. Solvent-free synthesis of some ethyl arylglyoxylates

    Institute of Scientific and Technical Information of China (English)

    Ji Ming Xiang; Bao Lin Li

    2009-01-01

    An efficient and convenient approach to synthesize of ethyl arylglyoxylates by solvent-free grinding was described. Eight ethyl arylglyoxylates had been synthesized by this method, this method provided several advantages such as little pollution, high yield, good selectivity, and simple workup procedure, their structures were confirmed by IR, 1HNMR.

  9. Production of ethyl alcohol from corn silage

    Energy Technology Data Exchange (ETDEWEB)

    Pieper, H.J.; Ponitz, H.

    1973-01-01

    Corn silage may be employed as a raw material for the production of ethyl alcohol when starch is first cracked by pressure cooking and subsequently saccharified by microbial amalyses. Cracking conditions are: pressure increase 1.6 atmosphere within 60 minutes; maximum maintained for 35 minutes. The fermentation is complete after 72 hours. Extract decreases of fermented mashes made from corn silage are less than when dried corn is used. In the most advantageous case the degree of fermentation was -0.2 weight % of the extract. The maximum yields of alcohol were 26.0.1. pure alcohol/100 kg corn silage and 61.2.1. pure alcohol/100 kg starch. The latter is 3.9.1. pure alcohol lower than when dried corn was used. Despite the high bacterial infection of corn silage practically infection-free processing is assured.

  10. Weeding the Astrophysical Garden: Ethyl Cyanide

    Science.gov (United States)

    De Lucia, F. C.; Fortman, S. M.; Medvedev, I. R.; Neese, C. F.

    2009-12-01

    It is well known that many, if not most, of the unidentified features in astrophysical spectra arise from relatively low lying excited vibrational and torsional states of a relatively small number of molecular species— the astrophysical weeds. It is also well known that the traditional quantum mechanical assignment and fitting of these excited state spectra is a formidable task, one that is made harder by the expected perturbations and interactions among these states. We have previously proposed an alternative fitting and analysis approach based on experimental, intensity calibrated spectra taken at many temperatures. In this paper we discuss the implementation of this approach and provide details in the context of one of these weeds, ethyl cyanide.

  11. The gelation of oil using ethyl cellulose.

    Science.gov (United States)

    Davidovich-Pinhas, M; Barbut, S; Marangoni, A G

    2015-03-06

    The characterization of the thermo-gelation mechanism and properties of ethyl cellulose/canola oil oleogels was performed using rheology and thermal analysis. Thermal analysis detected no evidence for thermal transitions contributed to secondary conformational changes, suggesting a gelation mechanism that does not involve secondary ordered structure formation. Rheological analysis demonstrated a relationship between the polymer molecular weight and the final gel strength, the cross-over behavior as well as the gel point temperature. Increasing polymer molecular weight led to an increase in final gel strength, the modulus at cross-over, and the gel point temperature. Cooling/heating rates affect gel modulus only for the low molecular weight samples. A decrease in gel strength with increasing cooling rate was detected. The cross-over temperature was not affected by the cooling/heating rates. Cooling rate also affected the gelation setting time where slow cooling rates produced a stable gel faster.

  12. Efficiency of solvent extraction methods for the determination of methyl mercury in forest soils.

    Science.gov (United States)

    Qian, J; Skyllberg, U; Tu, Q; Bleam, W F; Frech, W

    2000-07-01

    Methyl mercury was determined by gas chromatography, microwave induced plasma, atomic emission spectrometry (GC-MIP-AES) using two different methods. One was based on extraction of mercury species into toluene, pre-concentration by evaporation and butylation of methyl mercury with a Grignard reagent followed by determination. With the other, methyl mercury was extracted into dichloromethane and back extracted into water followed by in situ ethylation, collection of ethylated mercury species on Tenax and determination. The accuracy of the entire procedure based on butylation was validated for the individual steps involved in the method. Methyl mercury added to various types of soil samples showed an overall average recovery of 87.5%. Reduced recovery was only caused by losses of methyl mercury during extraction into toluene and during pre-concentration by evaporation. The extraction of methyl mercury added to the soil was therefore quantitative. Since it is not possible to directly determine the extraction efficiency of incipient methyl mercury, the extraction efficiency of total mercury with an acidified solution containing CuSO4 and KBr was compared with high-pressure microwave acid digestion. The solvent extraction efficiency was 93%. For the IAEA 356 sediment certified reference material, mercury was less efficiently extracted and determined methyl mercury concentrations were below the certified value. Incomplete extraction could be explained by the presence of a large part of inorganic sulfides, as determined by x-ray absorption near-edge structure spectroscopy (XANES). Analyses of sediment reference material CRM 580 gave results in agreement with the certified value. The butylation method gave a detection limit for methyl mercury of 0.1 ng g(-1), calculated as three times the standard deviation for repeated analysis of soil samples. Lower values were obtained with the ethylation method. The precision, expressed as RSD for concentrations 20 times above the

  13. Synthesis and crystal structures of 2-methyl-4-aryl-5-oxo-5H-indeno [1,2-b] pyridine carboxylate derivatives

    DEFF Research Database (Denmark)

    Pandian, Ramesh; Naushad, Edayadulla; Vijayakumar, Vinodhkumar;

    2014-01-01

    pyridine derivatives through oxidation. Consequently, the interest in this aromatization reaction, investigation of a wide range of 1, 4-DHPs continues to attract the attention of researchers. Herein, we report the preparation of pyridine derivatives and the crystal structures determined by X......-ray crystallographic methods.Results: The crystal structures and conformational studies of two organic compounds, namely ethyl 2-methyl-4-phenyl-5-oxo-5H-indeno [1,2-b] pyridine-3-carboxylate (I) and ethyl 2-methyl-4-(4 chlorophenyl)-5-oxo-5H-indeno [1,2-b] pyridine-3-carboxylate (II) are reported. The terminal ethyl......) dimer running along 011 direction.Conclusion: The crystal structures ethyl 2-methyl-4-phenyl-5-oxo-5H-indeno [1,2-b] pyridine-3-carboxylate and ethyl 2-methyl-4-(4 chlorophenyl)-5-oxo-5H-indeno [1,2-b] pyridine-3-carboxylate have been investigated in detail. The terminal ethyl group of compound I...

  14. Dissociation dynamics of methylal

    Energy Technology Data Exchange (ETDEWEB)

    Beaud, P.; Frey, H.-M.; Gerber, T.; Mischler, B.; Radi, P.P.; Tzannis, A.-P. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    The dissociation of methylal is investigated using mass spectrometry, combined with a pyrolytic radical source and femtosecond pump probe experiments. Based on preliminary results two reaction paths of methylal dissociation are proposed and discussed. (author) 4 fig., 3 refs.

  15. Enrichment of methylated DNA by methyl-CpG immunoprecipitation.

    Science.gov (United States)

    Sonnet, Miriam; Baer, Constance; Rehli, Michael; Weichenhan, Dieter; Plass, Christoph

    2013-01-01

    Normal DNA methylation is an epigenetic modification required for proper development. Aberrant DNA methylation, in contrast, is frequently observed in many different malignancies including leukemias and lymphomas. Global DNA methylation profiling addresses the methylated sequences (methylome) of patient genomes to identify disease-specific methylation patterns. Workload in methylome analyses can be considerably reduced by methylome enrichment using proteins or antibodies with high affinity to methylated DNA. Methyl-CpG Immunoprecipitation (MCIp) employs an immobilized recombinant human methyl-CpG binding domain protein 2, MBD2, which binds methylated CpGs in double-stranded DNA. Elution with increasing salt concentrations allows the fractionated enrichment of different degrees of methylation.

  16. Ethylated Urea - Ether - Modified Urea - Formaldehyde Resins,

    Directory of Open Access Journals (Sweden)

    Mathew Obichukwu EDOGA

    2006-07-01

    Full Text Available First, phenol - formaldehyde (PF and urea - formaldehyde (UFII resins were separately conventionally prepared in our laboratory. Also, UF resin synthesized from the acid modified synthesis procedure was synthesized in a purely acid medium of pH 1.0, FU molar ratio of 1.0 and at 50oC (one-stage acid modified-synthesis procedure. Subsequently, the UF resin II was modified during synthesis by incorporating ethylated urea-ether (EUER (i.e. UFIII and glycerol (GLYC (i.e. UFV cured with and without acid curing agent. The structural and physicochemical analyses of the various resin samples were carried out.The results showed that the unmodified UF resin (UF II synthesized in acid medium of pH 1.0, F/U molar ratio 1.0, and at 50oC, cured in absence of acid curing catalyst, showed features in their spectra which are consistent with a tri-, and/or tetra-substituted urea in the reaction to give a 3 - dimensional network cured UF resin. Modification of the UF resin(UF II with ethylated urea-ether and glycerol to produce UF resins III and respectively V prominently increased the absorbance of methylene and ether groups in the spectra which are consistent with increased hydrophobicity and improved hydrolytic stability. For the conventional UF resin (UF I, the only clear distinction between spectra for the UF resin II and UF resins (III/V is the presence of diminished peaks for methylene groups at 2.2 ppm. The relationship between the logarithmic viscosity of cured PF resin with time showed continuos dependence of viscosity with time during cure up to 70 minutes. Similar trends were shown by UF resins (III/V, cured in absence of acid catalyst. In contrast, the conventional UF resins I and UF IV (i.e. UF II cured with NH4CL showed abrupt discontinuity in viscosity with time just after about 20 minutes of cure.

  17. Crystal structure of ethyl 2-[(4-bromophenylamino]-3,4-dimethylpent-3-enoate

    Directory of Open Access Journals (Sweden)

    Julio Zukerman-Schpector

    2014-10-01

    Full Text Available In the title compound, C15H20BrNO2, there are two independent molecules (A and B comprising the asymmetric unit and these adopt very similar conformations. In A, the dihedral angle between the CO2 and MeC=CMe2 groups is 80.7 (3°, and these make dihedral angles of 3.5 (3 and 84.09 (16°, respectively, with the bromobenzene ring. The equivalent dihedral angles for molecule B are 78.4 (3, 2.1 (3 and 78.37 (12°, respectively. The most prominent interactions in the crystal packing are amine-N—H...O(carbonyl hydrogen bonds between the two independent molecules, resulting in non-centrosymmetric ten-membered {...OC2NH}2 synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues.

  18. On the cause of low thermal stability of ethyl halodiazoacetates

    Science.gov (United States)

    Mortén, Magnus; Hennum, Martin

    2016-01-01

    Summary Rates for the thermal decomposition of ethyl halodiazoacetates (halo = Cl, Br, I) have been obtained, and reported herein are their half-lives. The experimental results are supported by DFT calculations, and we provide a possible explanation for the reduced thermal stability of ethyl halodiazoacetates compared to ethyl diazoacetate and for the relative decomposition rates between the chloro, bromo and iodo analogs. We have also briefly studied the thermal, non-catalytic cyclopropanation of styrenes and compared the results to the analogous Rh(II)-catalyzed reactions. PMID:27559411

  19. Ethyl Esterification for MALDI-MS Analysis of Protein Glycosylation.

    Science.gov (United States)

    Reiding, Karli R; Lonardi, Emanuela; Hipgrave Ederveen, Agnes L; Wuhrer, Manfred

    2016-01-01

    Ethyl esterification is a technique for the chemical modification of sialylated glycans, leading to enhanced stability when performing matrix-assisted laser desorption/ionization (MALDI)-mass spectrometry (MS), as well as allowing the efficient detection of both sialylated and non-sialylated glycans in positive ion mode. In addition, the method shows specific reaction products for α2,3- and α2,6-linked sialic acids, leading to an MS distinguishable mass difference. Here, we describe the ethyl esterification protocol for 96 glycan samples, including enzymatic N-glycan release, the aforementioned ethyl esterification, glycan enrichment, MALDI target preparation, and the MS(/MS) measurement.

  20. Synthesis and Characterization of a Gasoline Oxygenate, Ethyl tert-Butyl Ether

    Science.gov (United States)

    Donahue, Craig J.; D'Amico, Teresa; Exline, Jennifer A.

    2002-06-01

    A laboratory procedure involving the synthesis and characterization of ethyl tert-butyl ether (ETBE) is described. This experiment has been used in a general chemistry sequence that includes a section on organic chemistry, but is also well suited for an introductory organic chemistry laboratory course. ETBE is prepared by the acid-catalyzed reaction of tert-butyl alcohol with ethyl alcohol. The product is recovered as a low-boiling azeotrope and purified by liquid liquid extraction with water. By using gas chromatography and IR spectroscopy to examine both the crude and the purified products, students can see how much the purity of their sample improves. They can also appreciate the value of these methods (especially GC) as tools to establish purity. Student results are presented. The use of ETBE and its more prominent cousin methyl tert-butyl ether (MTBE) as gasoline oxygenates has become very controversial because they have polluted underground water supplies. This lab permits students to prepare a compound that has a real use and regularly makes headlines in the news. This lab experiment is part of an effort to develop a general chemistry sequence for engineering students using the theme of "Chemistry and the Automobile".

  1. Ethyl ester production from (RBD palm oil

    Directory of Open Access Journals (Sweden)

    Oscar Mauricio Martínez Ávila

    2010-07-01

    Full Text Available This work develops a methodology for obtaining ethyl esters from RBD (refined, bleached and deodorised palm oil by evaluating the oil’s transesterification and separation. Two catalysts were first tested (KOH and NaOH by studying the effect of water presence on the reaction. The separation process was then evaluated by using water and water-salt and water-acid mixtures, establishing the agent offering the best results and carrying out the purification stage. Raw materials and products were characterised for comparing the latter with those obtained by traditional means and verifying the quality of the esters so produced; minimum differences were found bet-ween both. The proposed methodology thus allows esters to be used as raw material in petrochemical industry applications. A more profitable process can be obtained compared to those used today, given the amounts of separation agent so established (1% H3PO4 solution, in water. The overall process achieved 74.4% yield, based on the oil being used.

  2. Promotion of dropwise condensation of ethyl alcohol, methyl alcohol, and acetone by polytetrafluoroethylene

    Science.gov (United States)

    Kirby, C. E.

    1972-01-01

    Coating condensing surfaces with thin layer of nonpolar Teflon results in dropwise condensation of polar organic vapor. Greater heat transfer coefficients are produced increasing effectiveness of condensing system. Investigation shows that vapors with strong dipole moment tend to condense dropwise.

  3. Ethyl (4-{[(diethylcarbamothioylsulfanyl]methyl}-2-oxo-2H-chromen-7-ylcarbamate

    Directory of Open Access Journals (Sweden)

    K. R. Roopashree

    2014-02-01

    Full Text Available In the title compound, C18H22N2O4S2, the 2H-chromene ring system is essentially planar (r.m.s. deviation = 0.012 Å. The molecular conformation is stabilized by a C—H...O hydrogen bond. In the crystal, N—H...S and C—H...O hydrogen bonds occur, the former enclosing an R22(22 ring motif, and lead to the formation of a two-dimensional slab-like network lying parallel to (10-1. π–π interactions are observed between inversion-related aromatic rings [shortest centroid–centroid distance = 3.6300 (11 Å].

  4. EXPOSURE AND EMISSION EVALUATIONS OF METHYL ETHYL KETOXIME (MEKO) IN ALKYD PAINTS

    Science.gov (United States)

    Small environmental chamber tests were conducted to characterize the emissions of a toxic chemical compound -- methylethylketoxime (MEKO) -- from three different alkyd paints. It was found that MEKO emissions occurred almost immediately after each alkyd paint was applied to a pin...

  5. Ethyl 2-(2-methyl-4-nitro-1H-imidazol-1-ylacetate

    Directory of Open Access Journals (Sweden)

    Yassine Hakmaoui

    2016-04-01

    Full Text Available In the title compound, C8H11N3O4, the imidazole ring and the nitro group are nearly coplanar, with the largest deviation from the mean plane being 0.119 (2 Å. The mean plane through the acetate group is approximately perpendicular to the imidazole ring, subtending a dihedral angle of 75.71 (13°. In the crystal, molecules are linked by weak C—H...O and very weak C—H...N hydrogen bonds, forming a three-dimensional network. There is also a weak C—H...π(imidazole interaction, which contributes to the stability of the crystal packing arrangement.

  6. Ethyl tertiary-butyl ether: a toxicological review.

    Science.gov (United States)

    McGregor, Douglas

    2007-05-01

    A number of oxygenated compounds (oxygenates) are available for use in gasoline to reduce vehicle exhaust emissions, reduce the aromatic compound content, and avoid the use of organo-lead compounds, while maintaining high octane numbers. Ethyl tertiary-butyl ether (ETBE) is one such compound. The current use of ETBE in gasoline or petrol is modest but increasing, with consequently similar trends in the potential for human exposure. Inhalation is the most likely mode of exposure, with about 30% of inhaled ETBE being retained by the lungs and distributed around the body. Following cessation of exposure, the blood concentration of ETBE falls rapidly, largely as a result of its metabolism to tertiary-butyl alcohol (TBA) and acetaldehyde. TBA may be further metabolized, first to 2-methyl-1,2-propanediol and then to 2-hydroxyisobutyrate, the two dominant metabolites found in urine of volunteers and rats. The rapid oxidation of acetaldehyde suggests that its blood concentration is unlikely to rise above normal as a result of human exposure to sources of ETBE. Single-dose toxicity tests show that ETBE has low toxicity and is essentially nonirritant to eyes and skin; it did not cause sensitization in a maximization test in guinea pigs. Neurological effects have been observed only at very high exposure concentrations. There is evidence for an effect of ETBE on the kidney of rats. Increases in kidney weight were seen in both sexes, but protein droplet accumulation (with alpha(2u)-globulin involvement) and sustained increases in cell proliferation occurred only in males. In liver, centrilobular necrosis was induced in mice, but not rats, after exposure by inhalation, although this lesion was reported in some rats exposed to very high oral doses of ETBE. The proportion of liver cells engaged in S-phase DNA synthesis was increased in mice of both sexes exposed by inhalation. ETBE has no specific effects on reproduction, development, or genetic material. Carcinogenicity studies

  7. Catalytic Synthesis of Ethyl Ester From Some Common Oils ...

    African Journals Online (AJOL)

    ... seed oil FAEE that shows high acid value and total ash content the esters could be used directly or as blend in diesel engines to give good performance. Key words: Ethyl ester, synthesis, catalytic activity, common oils, biodiesel potential.

  8. Spectrophotometric determination of eserine with tetrabromophenolphthalein ethyl este

    National Research Council Canada - National Science Library

    Masahiro TSUBOUCHI

    1971-01-01

      A spectrophotometric method is proposed for the determination of eserine. The method is based on the formation of an addition-compound between eserine and the tetrabromophenolphthalein ethyl ester (TBPE...

  9. Ethyl coumarin-3-carboxylate: synthesis and chemical properties

    Directory of Open Access Journals (Sweden)

    Bakr F. Abdel-Wahab

    2014-03-01

    Full Text Available Ethyl coumarin-3-carboxylate occupies an important position in the organic synthesis and is used in production of biologically active compounds. Thus, the data published over the last few years on the methods of synthesis and chemical properties of ethyl coumarin-3-carboxylate are reviewed here for the first time. The reactions were classified as coumarin ring reactions and ester group reactions, and some of these reactions have been applied successfully to the synthesis of biologically and industrially important compounds.

  10. CHARACTERIZATION OF CAPTOPRIL-ETHYL CELLULOSE MICROSPHERES BY THERMAL ANALYSIS

    Directory of Open Access Journals (Sweden)

    RakeshGupta

    2010-06-01

    Full Text Available The objective of the present study was to study the physical characterization of Captopril-ethyl cellulose microspheres by thermal analysis such as Differential Scanning Calorimetry (DSC, Differential thermal analysis (DTA and Thermo gravimetry (TG. Drug polymer interaction can directly affect the dosage form stability, drug encapsulation into polymers and dissolution patterns. In this study thermal analysis has been carried out for the physical mixtures and microspheres of captopril and ethyl cellulose prepared by solvent evaporation method.

  11. Ethyl glucuronide and ethyl sulfate in autopsy samples 27 years after death.

    Science.gov (United States)

    Politi, Lucia; Morini, Luca; Mari, Francesco; Groppi, Angelo; Bertol, Elisabetta

    2008-11-01

    The unique case of a 50-year-old known alcoholic whose corpse was exhumed 27 years after death is reported. The man apparently committed suicide by hanging, but many years later the case was questioned and homicide-linked to a long-lasting serial killer case-was suspected. Thus, the corpse was exhumed, and at the autopsy it was found to be naturally mummified. This fact permitted the analysis of body tissues with the aim to investigate the persistence of ethanol conjugates in the biological material 27 years after death. Fragments of liver and kidney, a blood clot, and a hair strand were collected and submitted to liquid chromatography tandem mass spectrometry analysis. Ethyl glucuronide (EtG) and ethyl sulfate (EtS) were identified and quantified in the liver, the kidney, and the blood clot. Hair analysis was found to be severely affected by ion suppression even after solid phase extraction. Consequently, EtG was identified in all hair segments (0-3 cm, 3-6 cm, and 6-10 cm), but no reliable quantification could be carried out. In summary, our findings demonstrate that, notwithstanding the expected conjugate degradation, EtG and EtS can be indicative of ante-mortem use of alcohol even many years after death.

  12. Atmospheric Oxidation Mechanisms for Diethyl Ether and its Oxidation Products, Ethyl Formate and Ethyl Acetate.

    Science.gov (United States)

    Orlando, J. J.; Tyndall, G. S.

    2006-12-01

    Carbon-containing compounds are present in the earth's atmosphere as the result of emissions from natural and anthropogenic sources. Their oxidation in the atmosphere, initiated by such oxidants as OH, ozone, and nitrate radicals, leads to potentially harmful secondary pollutants such as ozone, carbonyl species, organic acids and aerosols. Ethers and esters are two classes of compounds that contribute to the complex array of organic compounds found in anthropogenically-influenced air. Additional ester is present as a result of the oxidation of the ethers. In this paper, the oxidation of diethyl ether and its two main oxidation products, ethyl formate and ethyl acetate, are studied over ranges of temperature, oxygen partial pressure, and NOx concentration, using an environmental chamber / FTIR absorption technique. Major end-products (the esters from diethyl ether; organic acids and anhydrides from the esters) are quantified, and these data are interpreted in terms of the chemistry of the various alkoxy and peroxy radicals generated. Emphasis is placed on the effects of chemical activation on the behavior of the alkoxy radicals, as well as on a novel peroxy radical rearrangement that may contribute to the observed products of ether oxidation under some conditions. Finally, the data are used, in conjunction with data on similar species, to provide a general representation of ether and ester oxidation in the atmosphere.

  13. Toxicity Studies of Ethyl Maltol and Iron Complexes in Mice.

    Science.gov (United States)

    Li, Zhen; Lu, Jieli; Wu, Chonghui; Pang, Quanhai; Zhu, Zhiwei; Nan, Ruipeng; Du, Ruochen; Chen, Jia

    2017-01-01

    Ethyl maltol and iron complexes are products of ethyl maltol and the iron found in the cooking pots used to prepare the Chinese dish, hot-pot. Because their safety is undocumented, the toxicity study of ethyl maltol and iron complexes was conducted in male and female Kunming (KM) mice. The animal study was designed based on the preliminary study conducted to determine the median lethal dose (LD50). The doses used in the study were 0, 1/81, 1/27, 1/9, and 1/3 of the LD50 (mg kg body weight (BW)(-1) day(-1)) dissolved in the water. The oral LD50 of the ethyl maltol and iron complexes was determined to be 743.88 mg kg BW(-1) in mice. The ethyl maltol and iron complexes targeted the endocrine organs including the liver and kidneys following the 90 D oral exposure. Based on the haematological data, the lowest-observed-adverse-effect level (LOAEL) of the ethyl maltol and iron complexes was determined to be 1/81 LD50 (9.18 mg kg BW(-1) day(-1)) in both male and female mice. Therefore, we suggest that alternative strategies for preparing the hot-pot, including the use of non-Fe-based cookware, need to be developed and encouraged to avoid the formation of the potentially toxic complexes.

  14. [DNA methylation and epigenetics].

    Science.gov (United States)

    Vaniushin, B F

    2006-09-01

    In eukaryotic cells, nuclear DNA is subject to enzymatic methylation with the formation of 5-methylcytosine residues, mostly within the CG and CNG sequences. In plants and animals this DNA methylation is species-, tissue-, and organelle-specific. It changes (decreases) with age and is regulated by hormones. On the other hand, genome methylation can control hormonal signal. Replicative and post-replicative DNA methylation types are distinguished. They are mediated by multiple DNA methyltransferases with different site-specificity. Replication is accompanied by the appearance of hemimethylated DNA sites. Pronounced asymmetry of the DNA strand methylation disappears to the end of the cell cycle. A model of methylation-regulated DNA replication is proposed. DNA methylation controls all genetic processes in the cell (replication, transcription, DNA repair, recombination, and gene transposition). It is the mechanism of cell differentiation, gene discrimination and silencing. In animals, suppression of DNA methylation stops development (embryogenesis), switches on apoptosis, and is usually lethal. Disruption of DNA methylation pattern results in the malignant cell transformation and serves as one of the early diagnostic features of carcinogenesis. In malignant cell the pattern of DNA methylation, as well as the set of DNA methyltransferase activities, differs from that in normal cell. In plants inhibition of DNA methylation is accompanied by the induction of seed storage and florescence genes. In eukaryotes one and the same gene can be simultaneously methylated both at cytosine and adenine residues. It can be thus suggested, that the plant cell contains at least two different, and probably, interdependent systems of DNA methylation. The first eukaryotic adenine DNA methyltransferase was isolated from plants. This enzyme methylates DNA with the formation of N6-methyladenine residues in the sequence TGATCA (TGATCA-->TGm6ATCA). Plants possess AdoMet-dependent endonucleases

  15. Spectroscopic study and astronomical detection of doubly 13C-substituted ethyl cyanide

    Science.gov (United States)

    Margulès, L.; Belloche, A.; Müller, H. S. P.; Motiyenko, R. A.; Guillemin, J.-C.; Garrod, R. T.; Menten, K. M.

    2016-05-01

    Context. We have performed a spectral line survey called Exploring Molecular Complexity with ALMA (EMoCA) toward Sagittarius B2(N) between 84.1 and 114.4 GHz with the Atacama Large Millimeter/submillimeter Array (ALMA) in its Cycles 0 and 1. Line intensities of the main isotopic species of ethyl cyanide and its singly 13C-substituted isotopomers observed toward the hot molecular core Sagittarius B2(N2) suggest that the doubly 13C-substituted isotopomers should also be detectable. Aims: We want to determine the spectroscopic parameters of all three doubly 13C-substituted isotopologues of ethyl cyanide to search for them in our ALMA data. Methods: We investigated the laboratory rotational spectra of the three species between 150 GHz and 990 GHz. We searched for emission lines produced by these species in the ALMA spectrum of Sagittarius B2(N2). We modeled their emission and the emission of the 12C and singly 13C-substituted isotopologues assuming local thermodynamic equilibrium. Results: We identified more than 5000 rotational transitions, pertaining to more than 3500 different transition frequencies, in the laboratory for each of the three doubly 13C-substituted isotopomers. The quantum numbers reach J ≈ 115 and Ka ≈ 35, resulting in accurate spectroscopic parameters and accurate rest frequency calculations beyond 1000 GHz for strong to moderately weak transitions of either isotopomer. All three species are unambiguously detected in our ALMA data. The 12C/13C column density ratio of the isotopomers with one 13C atom to those with two 13C atoms is about 25. Conclusions: Ethyl cyanide is the second molecule after methyl cyanide for which isotopologues containing two 13C atoms have been securely detected in the interstellar medium. The model of our ethyl cyanide data suggests that we should be able to detect vibrational satellites of the main species up to at least ν19 = 1 at ~1130 K and up to ν13 + ν21 = 2 at ~600 K for the isotopologues with one 13C atom in

  16. Transferable force field for carboxylate esters: application to fatty acid methylic ester phase equilibria prediction.

    Science.gov (United States)

    Ferrando, Nicolas; Lachet, Véronique; Boutin, Anne

    2012-03-15

    In this work, a new transferable united-atoms force field for carboxylate esters is proposed. All Lennard-Jones parameters are reused from previous parametrizations of the AUA4 force field, and only a unique set of partial electrostatic charges is introduced for the ester chemical function. Various short alkyl-chain esters (methyl acetate, ethyl acetate, methyl propionate, ethyl propionate) and two fatty acid methylic esters (methyl oleate and methyl palmitate) are studied. Using this new force field in Monte Carlo simulations, we show that various pure compound properties are accurately predicted: saturated liquid densities, vapor pressures, vaporization enthalpies, critical properties, liquid-vapor surface tensions. Furthermore, a good accuracy is also obtained in the prediction of binary mixture pressure-composition diagrams, without introducing empirical binary interaction parameters. This highlights the transferability of the proposed force field and gives the opportunity to simulate mixtures of industrial interest: a demonstration is performed through the simulation of the methyl oleate + methanol mixture involved in the purification sections of biodiesel production processes.

  17. Comparative analysis of rubber seed methyl ester with other methyl ...

    African Journals Online (AJOL)

    Comparative analysis of rubber seed methyl ester with other methyl esters. ... In order to achieve a two-step transesterification process was developed to convert rubber seed oil to its methyl esters. The first step, acid catalyzed ... Article Metrics.

  18. Photodegradation of ethyl paraben using simulated solar radiation and Ag{sub 3}PO{sub 4} photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Frontistis, Zacharias [Department of Chemical Engineering, University of Patras, Caratheodory 1, University Campus, GR-26504 Patras (Greece); Antonopoulou, Maria [Department of Environmental & Natural Resources Management, University of Patras, 2 Seferi St., GR-30100 Agrinio (Greece); Petala, Athanasia [Department of Chemical Engineering, University of Patras, Caratheodory 1, University Campus, GR-26504 Patras (Greece); Venieri, Danae [School of Environmental Engineering, Technical University of Crete, Polytechneioupolis, GR-73100 Chania (Greece); Konstantinou, Ioannis [Department of Environmental & Natural Resources Management, University of Patras, 2 Seferi St., GR-30100 Agrinio (Greece); Department of Chemistry, University of Ioannina, GR-45110 Ioannina (Greece); Kondarides, Dimitris I. [Department of Chemical Engineering, University of Patras, Caratheodory 1, University Campus, GR-26504 Patras (Greece); Mantzavinos, Dionissios, E-mail: mantzavinos@chemeng.upatras.gr [Department of Chemical Engineering, University of Patras, Caratheodory 1, University Campus, GR-26504 Patras (Greece)

    2017-02-05

    Highlights: • Ag{sub 3}PO{sub 4} with a bandgap of 2.4 eV is a photocatalyst highly responsive to visible. • Factorial design was used to assess important factors for ethyl paraben degradation. • Ethyl paraben and Ag{sub 3}PO{sub 4} concentration, time, water matrix are significant factors. • Dealkylated and decarboxylated transformation by-products have been identified. • All parabens are slightly estrogenic compared to estradiol. - Abstract: In this work, the solar light-induced photocatalytic degradation of ethyl paraben (EP), a representative of the parabens family, was studied using silver orthophosphate, a relatively new photocatalytic material. The catalyst was synthesized by a precipitation method and had a primary crystallite size of ca 70 nm, specific surface area of 1.4 m{sup 2}/g and a bandgap of 2.4 eV. A factorial design methodology was implemented to evaluate the importance of EP concentration (500–1500 μg/L), catalyst concentration (100–500 mg/L), reaction time (4–30 min), water matrix (pure water or 10 mg/L humic acid) and initial solution pH (3–9) on EP removal. All individual effects but solution pH were statistically significant and so were the second-order interactions of EP concentration with reaction time or catalyst concentration. The water matrix effect was negative (all other effects were positive) signifying the role of humic acid as scavenger of the oxidant species. Liquid chromatography-time of flight mass spectrometry revealed the formation of methyl paraben, 4-hydroxybenzoic acid, benzoic acid and phenol as primary transformation by-products; these are formed through dealkylation and decarboxylation reactions initiated primarily by the photogenerated holes. Estrogenicity assays showed that methyl paraben was more estrogenic than EP; however, parabens are slightly estrogenic compared to 17β-estradiol.

  19. Determining the partial photoionization cross-sections of ethyl radicals.

    Science.gov (United States)

    FitzPatrick, B L; Maienschein-Cline, M; Butler, L J; Lee, S-H; Lin, J J

    2007-12-13

    Using a crossed laser-molecular beam scattering apparatus, these experiments photodissociate ethyl chloride at 193 nm and detect the Cl and ethyl products, resolved by their center-of-mass recoil velocities, with vacuum ultraviolet photoionization. The data determine the relative partial cross-sections for the photoionization of ethyl radicals to form C2H5+, C2H4+, and C2H3+ at 12.1 and 13.8 eV. The data also determine the internal energy distribution of the ethyl radical prior to photoionization, so we can assess the internal energy dependence of the photoionization cross-sections. The results show that the C2H4++H and C2H3++H2 dissociative photoionization cross-sections strongly depend on the photoionization energy. Calibrating the ethyl radical partial photoionization cross-sections relative to the bandwidth-averaged photoionization cross-section of Cl atoms near 13.8 eV allows us to use these data in conjunction with literature estimates of the Cl atom photoionization cross-sections to put the present bandwidth-averaged cross-sections on an absolute scale. The resulting bandwidth-averaged cross-section for the photoionization of ethyl radicals to C2H5+ near 13.8 eV is 8+/-2 Mb. Comparison of our 12.1 eV data with high-resolution ethyl radical photoionization spectra allows us to roughly put the high-resolution spectrum on the same absolute scale. Thus, one obtains the photoionization cross-section of ethyl radicals to C2H5+ from threshold to 12.1 eV. The data show that the onset of the C2H4++H dissociative photoionization channel is above 12.1 eV; this result offers a simple way to determine whether the signal observed in photoionization experiments on complex mixtures is due to ethyl radicals. We discuss an application of the results for resolving the product branching in the O+allyl bimolecular reaction.

  20. THE COMPATIBILITY OF BLENDS OF POLY(VINYL CHLORIDE) OR CHLORINATED POLY(VINYL CHLORIDE) WITH POLY(METHYL METHACRYLATE)

    Institute of Scientific and Technical Information of China (English)

    WANG Qingguo; CHENG Rongshi

    1988-01-01

    IR spectral shifts of carbonyl vibrational absorption for ethyl acetate, which acts analogically as the structural unit of poly(methyl methacrylate), in cyclohexane, chloroform, chlorinated paraffins, poly(vinyl chloride) and chlorinated poly(vinyl chloride) were measured. The results suggest that there are specific interactions between the carbonyl groups and the chlorinated hydrocarbons which could be responsible for the apparent compatibility of poly(vinyl chloride) -poly(methyl methacrylate) and chlorinated poly(vinyl chloride) -poly(methyl methacrylate) blends. Additionally, the effects of the preparation mode of blend films on phase separation and observed compatibility are discussed.

  1. Spectroscopy reveals that ethyl esters interact with proteins in wine.

    Science.gov (United States)

    Di Gaspero, Mattia; Ruzza, Paolo; Hussain, Rohanah; Vincenzi, Simone; Biondi, Barbara; Gazzola, Diana; Siligardi, Giuliano; Curioni, Andrea

    2017-02-15

    Impairment of wine aroma after vinification is frequently associated to bentonite treatments and this can be the result of protein removal, as recently demonstrated for ethyl esters. To evaluate the existence of an interaction between wine proteins and ethyl esters, the effects induced by these fermentative aroma compounds on the secondary structure and stability of VVTL1, a Thaumatin-like protein purified from wine, was analyzed by Synchrotron Radiation Circular Dichroism (SRCD) spectroscopy. The secondary structure of wine VVTL1 was not strongly affected by the presence of selected ethyl esters. In contrast, VVTL1 stability was slightly increased by the addition of ethyl-octanoate, -decanoate and -dodecanoate, but decreased by ethyl-hexanoate. This indicates the existence of an interaction between VVTL1 and at least some aroma compounds produced during fermentation. The data suggest that proteins removal from wine by bentonite can result in indirect removal of at least some aroma compounds associated with them. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Synthesis of two potential NK1-receptor ligands using [1-11C]ethyl iodide and [1-11C]propyl iodide and initial PET-imaging.

    Science.gov (United States)

    Syvänen, Stina; Eriksson, Jonas; Genchel, Tove; Lindhe, Orjan; Antoni, Gunnar; Långström, Bengt

    2007-07-30

    The previously validated NK1-receptor ligand [O-methyl-11C]GR205171 binds with a high affinity to the NK1-receptor and displays a slow dissociation from the receptor. Hence, it cannot be used in vivo for detecting concentration changes in substance P, the endogenous ligand for the NK1-receptor. A radioligand used for monitoring these changes has to enable displacement by the endogenous ligand and thus bind reversibly to the receptor. Small changes in the structure of a receptor ligand can lead to changes in binding characteristics and also in the ability to penetrate the blood-brain barrier. The aim of this study was to use carbon-11 labelled ethyl and propyl iodide with high specific radioactivity in the synthesis of two new and potentially reversible NK1-receptor ligands with chemical structures based on [O-methyl-11C]GR205171. [1-11C]Ethyl and [1-11C]propyl iodide with specific radioactivities of 90 GBq/mumol and 270 GBq/mumol, respectively, were used in the synthesis of [O-methyl-11C]GR205171 analogues by alkylation of O-desmethyl GR205171. The brain uptake of the obtained (2S,3S)-N-(1-(2- [1-11C]ethoxy-5-(3-(trifluoromethyl)-4H-1,2,4-triazol-4-yl)phenyl)ethyl)-2-phenylpiperidin-3-amine (I) and (2S,3S)-2-phenyl-N-(1-(2- [1-11C]propoxy-5-(3-(trifluoromethyl)-4H-1,2,4-triazol-4-yl)phenyl)ethyl)piperidin-3-amine (II) was studied with PET in guinea pigs and rhesus monkeys and compared to the uptake of [O-methyl-11C]GR205171. All ligands had similar uptake distribution in the guinea pig brain. The PET-studies in rhesus monkeys showed that (II) had no specific binding in striatum. Ligand (I) had moderate specific binding compared to the [O-methyl-11C]GR205171. The ethyl analogue (I) displayed reversible binding characteristics contrary to the slow dissociation rate shown by [O-methyl-11C]GR205171. The propyl-analogue (II) cannot be used for detecting changes in NK1-ligand levels, while further studies should be performed with the ethyl-analogue (I).

  3. Determination of Merthyl Mercury and Ethyl Mercury in Field Soil by HPLC-ICP-MS%HPLC-ICP-MS法测定农田土壤中甲基汞和乙基汞

    Institute of Scientific and Technical Information of China (English)

    宋志峰; 陈冠宁; 魏春雁; 樊慧梅; 刘笑笑

    2015-01-01

    A HPLC–ICP/MS method for determination of methyl mercury and ethyl mercury in field soil was proposed. The methyl mercury and ethyl mercury was separated by using C18 column and detected with ICP–MS. The methyl mercury and ethyl mercury in field soil were extracted with 0.5 mol/L of nitric acid solution and using the ultrasonic assisted extraction. The linear range of the methyl mercury and ethyl mercury were 0.1–50 ng/mL,the correlation coefficients were more than 0.999. The detection limits (LOD) of two compounds were 0.1 ng/mL and 0.2 ng/mL. The recoveries of the methyl mercury and ethyl mercury were 89.26%–94.26%and 76.88%–79.27%,and the relative standarddeviation(RSD,n=5) were 1.67%–2.38%and 2.58%–3.84%,respectively. The pretreatment of the method is simple,the reproducibility is good,LOD is low and accuracy is high,so the method is suitable for determination of the methyl mercury and ethyl mercury in field soils.%采用HPLC反相C18柱分离、ICP–MS检测,建立了农田土壤中甲基汞和乙基汞的分析方法。以0.5 mol/L的硝酸溶液为浸提剂,超声波提取1 h,在优化的仪器条件下测定,甲基汞和乙基汞的质量浓度在0.1~50 ng/mL范围内与谱线强度呈良好线性关系(r≥0.999),检出限分别为0.1,0.2 ng/mL;加标回收率分别为89.26%~94.26%,76.88%~79.27%;相对标准偏差分别为1.67%~2.38%,2.58%~3.84%(n=5)。该方法样品前处理简单、重现性好、检出限低、准确度高,适合于农田土壤中甲基汞和乙基汞的同时测定。

  4. Degradation of ethyl xanthate in flotation residues by hydrogen peroxide

    Institute of Scientific and Technical Information of China (English)

    陈兴华; 胡岳华; 彭宏; 曹学锋

    2015-01-01

    The degradation behavior of ethyl xanthate (EX) salt was the most widely used collector in sulfide mineral flotation and emission of flotation tailings with residual EX was harmful to environment. In this work, hydrogen peroxide (H2O2) was investigated by UV-visible spectroscopy (UV/Vis) at different pH values from 3 to 12. For pH value from 5 to 12, EX was oxidized into ethyl per xanthate (EPX) by H2O2. Then EPX was further oxidized into thiosulfate (TS) salt rather than ethyl thiocarbonate (ETC) and this step was the reaction-limited step. Then depending on pH values, TS was degraded into sulphate and carbonate salts (pH>7) or elemental sulfur (pH3.0 during test time.

  5. Blockade of N-methyl-D-aspartate induced convulsions by 1-aminocyclopropanecarboxylates

    Energy Technology Data Exchange (ETDEWEB)

    Skolnick, P.; Marvizon, J.C.G.; Jackson, B.W.; Monn, J.A.; Rice, K.C. (National Institutes of Health, Bethesda, MD (USA)); Lewin, A.H. (Research Triangle Institute, Research Triangle Park, NC (USA))

    1989-01-01

    1-Aminocyclopropanecarboxylic acid is a potent and selective ligand for the glycine modulatory site on the N-methyl-D-aspartate receptor complex. This compound blocks the convulsions and deaths produced by N-methyl-D-aspartate in a dose dependent fashion. In contrast, 1-aminocyclopropanecarboxylic acid does not protect mice against convulsions induced by pentylenetetrazole, strychnine, bicuculline, or maximal electroshock, and does not impair motor performance on either a rotarod or horizontal wire at doses of up to 2 g/kg. The methyl- and ethyl- esters of 1-aminocyclopropanecarboxylic acid are 5- and 2.3-fold more potent, respectively, than the parent compound in blocking the convulsant and lethal effects of N-methyl-D-aspartate. However, these esters are several orders of magnitude less potent than 1-aminocyclopropanecarboxylic acid as inhibitors of strychnine-insensitive ({sup 3}H)glycine binding, indicating that conversion to the parent compound may be required to elicit an anticonvulsant action.

  6. IRIS Toxicological Review of Ethyl Tertiary Butyl Ether (ETBE) ...

    Science.gov (United States)

    The IRIS Toxicological Review of Ethyl Tertiary Butyl Ether (ETBE) was released for external peer review in April 2017. EPA’s Science Advisory Board’s (SAB) Chemical Assessment Advisory Committee (CAAC) will conduct a peer review of the scientific basis supporting the ETBE assessment and release a final report of their review. Information regarding the peer review can be found on the SAB website. EPA is conducting an Integrated Risk Information System (IRIS) health assessment for Ethyl Tertiary Butyl Ether (ETBE). The outcome of this project is a Toxicological Review and IRIS Summary for ETBE that will be entered into the IRIS database.

  7. Conversion of 3-Carbethoxy-4-methyl Coumarin Derivatives into Several New Annelated Coumarin Derivatives

    Institute of Scientific and Technical Information of China (English)

    BAKEER; HadeerMohammed

    2003-01-01

    The reaction of ethyl esters of 4-methyl-2-oxo-2H-l-benzo(naphtho) pyran.3-carboxylic acids (1) with aromatic aldehy-des in the presence of piperidine yielded 4-styryl-3-carboxami-dopiperidyl connmrin derivatives 4. The reaction of hydrazlne hydrate with 1 gave acetophenone hydrozone derivatives 5 and acetophenone azine derivatives 6. The reaction of 1 with prima-ry amines afforded compomlds 7—9. And the treatment of la with Grignard reagents afforded 3-aroyl-4-methyl coumarin derivatives 10.

  8. ENZYMOLOGY OF ARSENIC METHYLATION

    Science.gov (United States)

    Enzymology of Arsenic MethylationDavid J. Thomas, Pharmacokinetics Branch, Experimental Toxicology Division, National Health and Environmental Effects Research Laboratory, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park...

  9. Lysine methylation: beyond histones

    Institute of Scientific and Technical Information of China (English)

    Xi Zhang; Hong Wen; Xiaobing Shi

    2012-01-01

    Posttranslational modifications (PTMs) of histone proteins,such as acetylation,methylation,phosphorylation,and ubiquitylation,play essential roles in regulating chromatin dynamics.Combinations of different modifications on the histone proteins,termed 'histone code' in many cases,extend the information potential of the genetic code by regulating DNA at the epigenetic level.Many PTMs occur on non-histone proteins as well as histones,regulating protein-protein interactions,stability,localization,and/or enzymatic activities of proteins involved in diverse cellular processes.Although protein phosphorylation,ubiquitylation,and acetylation have been extensively studied,only a few proteins other than histones have been reported that can be modified by lysine methylation.This review summarizes the current progress on lysine methylation of nonhistone proteins,and we propose that lysine methylation,like phosphorylation and acetylation,is a common PTM that regulates proteins in diverse cellular processes.

  10. Kinetics of Ethyl Acetate Synthesis Catalyzed by Acidic Resins

    Science.gov (United States)

    Antunes, Bruno M.; Cardoso, Simao P.; Silva, Carlos M.; Portugal, Ines

    2011-01-01

    A low-cost experiment to carry out the second-order reversible reaction of acetic acid esterification with ethanol to produce ethyl acetate is presented to illustrate concepts of kinetics and reactor modeling. The reaction is performed in a batch reactor, and the acetic acid concentration is measured by acid-base titration versus time. The…

  11. Unimolecular Gas-Phase Thermolysis of Ethyl Acetate

    DEFF Research Database (Denmark)

    Egsgaard, Helge; Carlsen, Lars

    1983-01-01

    The unimolecular gas-phase thermolysis of ethyl acetate has been investigated by the Flash-Vacuum-Thermolysis/Field-Ionization Mass Spectrometry (FVT/FI-MS) method in combination with Collision Activation (CA) mass spectrometry at 1253K. Two predominant reactions are observed: elimination...

  12. (Z-Ethyl 2-(3-nitrobenzylidene-3-oxobutanoate

    Directory of Open Access Journals (Sweden)

    Xiaopeng Shi

    2008-12-01

    Full Text Available The title molecule, C13H13NO5, adopts a Z conformation at the C= C double bond. The ethoxy atoms of the ethyl ester group are disordered over two orientations in a 3:2 ratio. Weak intermolecular C—H...O hydrogen bonds help to establish the packing.

  13. 77 FR 41346 - Trinexapac-ethyl; Proposed Pesticide Tolerance

    Science.gov (United States)

    2012-07-13

    ...). This listing is not intended to be exhaustive, but rather provides a guide for readers regarding... evidence of carcinogenicity in two adequate rodent carcinogenicity studies, trinexapac-ethyl is not...: Chief, Analytical Chemistry Branch, Environmental Science Center, 701 Mapes Rd., Ft. Meade, MD...

  14. Supercritical antisolvent co-precipitation of rifampicin and ethyl cellulose

    CSIR Research Space (South Africa)

    Djerafi, R

    2017-05-01

    Full Text Available crystallinity of the active ingredient was observed and a simultaneous precipitation of ethyl cellulose and drug was achieved. The effect of solvent/CO 2 molar ratio and polymer/drug mass ratio on the co-precipitates morphology and drug loading was investigated...

  15. Ethyl 2-hydroxy-2-phenyl-2-(thiazol-2-ylacetate

    Directory of Open Access Journals (Sweden)

    Carl J. Mallia

    2015-05-01

    Full Text Available This short note describes the synthesis of the title compound through spontaneous aerobic oxidation of ethyl 2-phenyl-2-(thiazol-2-ylacetate. Due to the prevalence of such functional motifs in biologically active substances, we believe the oxidation encountered highlights an important degradation pathway worthy of note.

  16. Solid Phase Synthesis of Ethyl β-Substituted Indolepropionates

    Institute of Scientific and Technical Information of China (English)

    刘占祥; 阮秀秀; 黄宪

    2003-01-01

    A facile solid phase synthesis of ethyl β-substituted indolepropionates is reported. Condensation between indole, polymer-supported cyclic malonic acid ester and aldehyde yielded the trimolecular adducts, which was cleaved by pyridine/EtOH to release the final products in good yield with high purity.

  17. The ototoxic effects of ethyl benzene in rats

    NARCIS (Netherlands)

    Cappaert, N.L.M.; Klis, S.F.L.; Muijser, H.; Groot, J.C.M.J. de; Kulig, B.M.; Smoorenburg, G.F.

    1999-01-01

    Exposure to organic solvents has been shown to be ototoxic in animals and there is evidence that these solvents can induce hearing loss in humans. In this study, the effects of inhalation of the possibly ototoxic solvent ethyl benzene on the cochlear function and morphology were evaluated using thre

  18. Ethyl Pyruvate Provides Therapeutic Benefits to Resuscitation Fluids

    Science.gov (United States)

    2009-02-01

    described in previous studies [40]. Animals without resuscitation were characterized by uremia, metabolic acidosis and hyperglycemia. Both resuscitation...AnGap) and negative base excess of extracellular fluid (BEecf). Resuscitation with Hextend alone or with ethyl pyruvate improved metabolic acidosis , anion...gap and BEecf . These effects on metabolic acidosis did not correlate with changes in bicarbonate, gases (total and partial CO2), or

  19. Synthesis of Ethyl Nalidixate: A Medicinal Chemistry Experiment

    Science.gov (United States)

    Leslie, Ray; Leeb, Elaine; Smith, Robert B.

    2012-01-01

    A series of laboratory experiments that complement a medicinal chemistry lecture course in drug design and development have been developed. The synthesis of ethyl nalidixate covers three separate experimental procedures, all of which can be completed in three, standard three-hour lab classes and incorporate aspects of green chemistry such as…

  20. Dissociation of the Ethyl Radical: An Exercise in Computational Chemistry

    Science.gov (United States)

    Nassabeh, Nahal; Tran, Mark; Fleming, Patrick E.

    2014-01-01

    A set of exercises for use in a typical physical chemistry laboratory course are described, modeling the unimolecular dissociation of the ethyl radical to form ethylene and atomic hydrogen. Students analyze the computational results both qualitatively and quantitatively. Qualitative structural changes are compared to approximate predicted values…

  1. 77 FR 12740 - Trinexapac-ethyl; Pesticide Tolerances

    Science.gov (United States)

    2012-03-02

    ... Assessment 1. Dietary exposure from food and feed uses. In evaluating dietary exposure to trinexapac-ethyl... Food Intake by Individuals (CSFII). As to residue levels in food, EPA assumed that residues are present..., EPA's concern for these effects is low, and there are no residual uncertainties since the effects only...

  2. Engineering Cyclohexanone Monooxygenase for the Production of Methyl Propanoate.

    Science.gov (United States)

    van Beek, Hugo L; Romero, Elvira; Fraaije, Marco W

    2017-01-20

    A previous study showed that cyclohexanone monooxygenase from Acinetobacter calcoaceticus (AcCHMO) catalyzes the Baeyer-Villiger oxidation of 2-butanone, yielding ethyl acetate and methyl propanoate as products. Methyl propanoate is of industrial interest as a precursor of acrylic plastic. Here, various residues near the substrate and NADP(+) binding sites in AcCHMO were subjected to saturation mutagenesis to enhance both the activity on 2-butanone and the regioselectivity toward methyl propanoate. The resulting libraries were screened using whole cell biotransformations, and headspace gas chromatography-mass spectrometry was used to identify improved AcCHMO variants. This revealed that the I491A AcCHMO mutant exhibits a significant improvement over the wild type enzyme in the desired regioselectivity using 2-butanone as a substrate (40% vs 26% methyl propanoate, respectively). Another interesting mutant is the T56S AcCHMO mutant, which exhibits a higher conversion yield (92%) and kcat (0.5 s(-1)) than wild type AcCHMO (52% and 0.3 s(-1), respectively). Interestingly, the uncoupling rate for the T56S AcCHMO mutant is also significantly lower than that for the wild type enzyme. The T56S/I491A double mutant combined the beneficial effects of both mutations leading to higher conversion and improved regioselectivity. This study shows that even for a relatively small aliphatic substrate (2-butanone), catalytic efficiency and regioselectivity can be tuned by structure-inspired enzyme engineering.

  3. Cytotoxicity of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-ethyl derivative of thiosalicylic acid

    Science.gov (United States)

    Nikolić, Miloš V.; Mijajlović, Marina Ž.; Jevtić, Verica V.; Ratković, Zoran R.; Novaković, Slađana B.; Bogdanović, Goran A.; Milovanović, Jelena; Arsenijević, Aleksandar; Stojanović, Bojana; Trifunović, Srećko R.; Radić, Gordana P.

    2016-07-01

    The spectroscopically predicted structure of the obtained copper(II)-complex with S-ethyl derivative of thiosalicylic acid was confirmed by X-ray structural study and compared to previously reported crystal structure of the Cu complex with S-methyl derivative. Single crystals suitable for X-ray measurements were obtained by slow crystallization from a water solution. Cytotoxic effects of S-alkyl (R = benzyl (L1), methyl (L2), ethyl (L3), propyl (L4) and butyl (L5)) derivatives of thiosalicylic acid and the corresponding binuclear copper(II)-complexes on murine colon carcinoma cell lines, CT26 and CT26.CL25 and human colon carcinoma cell line HCT-116 were reported here. The analysis of cancer cell viability showed that all the tested complexes had low cytotoxic effect on murine colon carcinoma cell lines, but several times higher cytotoxicity on normal human colon carcinoma cells.

  4. Search for Deuterated methyl acetate in the ISM

    Science.gov (United States)

    Gorai, Prasanta; Chakrabarti, Sandip Kumar; Das, Ankan; Majumdar, Liton; Sahu, Dipen; Sivaraman, Bhalamurugan

    2016-07-01

    Methyl acetate (CH_3COOCH_3 ) has been recently observed by IRAM 30 m radio telescope in Orion. But the existence of its deuterated form are yet to be confirmed. Here, we study the properties of methyl acetate and its singly deuterated forms (CH_3COOCH_3, CH_2DCOOCH_3 and CH_3COOCH_2D). Our simulation results reveal that deuterated forms of methyl acetate could efficiently be produced both in gas as well as in ice phase. Production of methyl acetate could follow radical-radical reaction between acetyl (CH_3CO) and methoxy (CH_3O) radicals. To predict abundances of CH_3COOCH_3 along with its two singly deuterated isotopomers and its two isomers (ethyl formate and hydroxy acetone), we prepare a large gas-grain chemical network to study chemical evolution of these molecules. Since gas phase rate coefficients of our newly adopted network for methyl acetate and its related species were unknown, in our simulation, either we consider similar rate coefficients for similar types of reactions (by following existing data bases) or we carry out quantum chemical calculations to estimate the unknown rate coefficients. For the surface reactions, we use adsorption energies of reactants from some earlier studies. Moreover, we perform quantum chemical calculations to find out various spectral properties of various forms of methyl acetate in infrared, ultraviolet and sub-millimeter regions. We prepare two catalog files for the rotational transitions of CH_2DCOOCH_3 and CH_3COOCH_2D in JPL format, which might be useful for its detection in regions of interstellar media where CH_3COOCH_3 has already been observed.

  5. Absorption of the nerve agent VX (O-ethyl-S-[2(di-isopropylamino)ethyl] methyl phosphonothioate) through pig, human and guinea pig skin in vitro.

    Science.gov (United States)

    Dalton, Christopher H; Hattersley, Ian J; Rutter, Stephen J; Chilcott, Robert P

    2006-12-01

    The physico-chemical properties of VX make the skin the most likely route of absorption into the human body. The development of effective medical countermeasures against such percutaneous threat agents relies on the use of appropriate animal models, as the inherent toxicity of nerve agents precludes the use of human volunteers. Previous studies have characterised the mechanism of nerve agent toxicity in rodent models, however, it is generally accepted that one of the most appropriate animal models for human skin absorption is the domestic pig. The purpose of the present study was to measure and compare the skin absorption kinetics of VX in vitro using pig, human and guinea pig skin to highlight any potential species differences in skin permeability. When undiluted VX was applied directly to the skin, the permeability of guinea pig skin was approximately 7-fold greater than human skin. There was no significant difference in the permeability of pig and human skin. When VX diluted with isopropyl alcohol was applied to the skin, the permeability of guinea pig skin was approximately 4-fold greater than human skin. There was no significant difference in the permeability of pig and human skin. From this data it may be inferred that dermatomed, abdominal pig skin is an appropriate model for the human skin absorption of VX.

  6. Icosapent ethyl (eicosapentaenoic acid ethyl ester): Effects on remnant-like particle cholesterol from the MARINE and ANCHOR studies.

    Science.gov (United States)

    Ballantyne, Christie M; Bays, Harold E; Philip, Sephy; Doyle, Ralph T; Braeckman, Rene A; Stirtan, William G; Soni, Paresh N; Juliano, Rebecca A

    2016-10-01

    Remnant-like particle cholesterol (RLP-C) is atherogenic and may increase atherosclerotic cardiovascular disease risk. Icosapent ethyl is a high-purity prescription eicosapentaenoic acid ethyl ester (approved as an adjunct to diet to reduce triglyceride [TG] levels in adult patients with TGs ≥500 mg/dL [≥5.65 mmol/L] at 4 g/day). In the MARINE and ANCHOR studies, icosapent ethyl reduced TG and other atherogenic lipid parameter levels without increasing low-density lipoprotein cholesterol (LDL-C) levels. This exploratory analysis evaluated the effects of icosapent ethyl on calculated and directly measured RLP-C. MARINE (TGs ≥500 and ≤2000 mg/dL [≥5.65 mmol/L and ≤22.6 mmol/L]) and ANCHOR (TGs ≥200 and <500 mg/dL [≥2.26 and <5.65 mmol/L] despite statin-controlled LDL-C) were phase 3, 12-week, double-blind studies that randomized adult patients to icosapent ethyl 4 g/day, 2 g/day, or placebo. This analysis assessed median percent change from baseline to study end in directly measured (immunoseparation assay) RLP-C levels (MARINE, n = 218; ANCHOR, n = 252) and calculated RLP-C levels in the full populations. Icosapent ethyl 4 g/day significantly reduced directly measured RLP-C levels -29.8% (p = 0.004) in MARINE and -25.8% (p = 0.0001) in ANCHOR versus placebo, and also reduced directly measured RLP-C levels to a greater extent in subgroups with higher versus lower baseline TG levels, in patients receiving statins versus no statins (MARINE), and in patients receiving medium/higher-intensity versus lower-intensity statins (ANCHOR). Strong correlations were found between calculated and directly measured RLP-C for baseline, end-of-treatment, and percent change values in ANCHOR and MARINE (0.73-0.92; p < 0.0001 for all). Icosapent ethyl 4 g/day significantly reduced calculated and directly measured RLP-C levels versus placebo in patients with elevated TG levels from the MARINE and ANCHOR studies. Copyright © 2016 The Authors

  7. - Tunneling Matrix Formalism for - and Two-Methyl Molecules Based on the Extended Permutation-Inversion Group Idea and its Application to the Analyses of the Methyl-Torsional Rotational Spectra

    Science.gov (United States)

    Ohashi, Nobukimi; Kobayashi, Kaori; Fujitake, Masaharu

    2016-06-01

    Recently we reanalyzed the microwave absorption spectra of the trans-ethyl methyl ether molecule, state by state, in the ground vibrational, O-methyl torsional, C-methyl torsional and skeletal torsional states with the use of an IAM-like tunneling matrix formalism based on an extended permutation-inversion (PI) group idea, whose results appeared in Journal of Molecular Spectroscopy recently. Since a single rho-axis does not exist in trans-ethyl methyl ether that has two methyl-tops and the IAM formalism is not available as in the case of the one methyl-top molecule, we adopted instead an IAM-like (in other word, partial IAM) formalism. We will show the outline of the present formalism and the results of the spectral analyses briefly. We also would like to review the IAM formalism for the one top molecules based on the extended PI group, and show the result of the application to the spectral analysis. If possible, we would like to compare the IAM and IAM-like formalisms based on the extended PI group with the ERHAM formalism developed by Groner, especially, in the form of Hamiltonian matrix elements, and discuss about similarity and difference.

  8. 40 CFR 721.4250 - Hexanoic acid, 2-ethyl-, ethenyl ester.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Hexanoic acid, 2-ethyl-, ethenyl ester... Substances § 721.4250 Hexanoic acid, 2-ethyl-, ethenyl ester. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as hexanoic acid, 2-ethyl-, ethenyl ester...

  9. 40 CFR 721.10064 - 2-Propenoic acid, 2-[2-(ethenyloxy)ethoxy]ethyl ester.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 2-Propenoic acid, 2- ethyl ester. 721... Substances § 721.10064 2-Propenoic acid, 2- ethyl ester. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 2-propenoic acid, 2- ethyl ester (PMN...

  10. 40 CFR 721.7290 - Propanoic acid, 2-(trimethoxysilyl)-, ethyl ester.

    Science.gov (United States)

    2010-07-01

    ...)-, ethyl ester. 721.7290 Section 721.7290 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.7290 Propanoic acid, 2-(trimethoxysilyl)-, ethyl ester. (a) Chemical... acid, 2-(trimethoxysilyl)-, ethyl ester (PMN P-01-22; CAS No. 137787-41-8) is subject to...

  11. DNA methylation in obesity

    Directory of Open Access Journals (Sweden)

    Małgorzata Pokrywka

    2014-11-01

    Full Text Available The number of overweight and obese people is increasing at an alarming rate, especially in the developed and developing countries. Obesity is a major risk factor for diabetes, cardiovascular disease, and cancer, and in consequence for premature death. The development of obesity results from the interplay of both genetic and environmental factors, which include sedentary life style and abnormal eating habits. In the past few years a number of events accompanying obesity, affecting expression of genes which are not directly connected with the DNA base sequence (e.g. epigenetic changes, have been described. Epigenetic processes include DNA methylation, histone modifications such as acetylation, methylation, phosphorylation, ubiquitination, and sumoylation, as well as non-coding micro-RNA (miRNA synthesis. In this review, the known changes in the profile of DNA methylation as a factor affecting obesity and its complications are described.

  12. Accurate Prediction of Hyperfine Coupling Constants in Muoniated and Hydrogenated Ethyl Radicals: Ab Initio Path Integral Simulation Study with Density Functional Theory Method.

    Science.gov (United States)

    Yamada, Kenta; Kawashima, Yukio; Tachikawa, Masanori

    2014-05-13

    We performed ab initio path integral molecular dynamics (PIMD) simulations with a density functional theory (DFT) method to accurately predict hyperfine coupling constants (HFCCs) in the ethyl radical (CβH3-CαH2) and its Mu-substituted (muoniated) compound (CβH2Mu-CαH2). The substitution of a Mu atom, an ultralight isotope of the H atom, with larger nuclear quantum effect is expected to strongly affect the nature of the ethyl radical. The static conventional DFT calculations of CβH3-CαH2 find that the elongation of one Cβ-H bond causes a change in the shape of potential energy curve along the rotational angle via the imbalance of attractive and repulsive interactions between the methyl and methylene groups. Investigation of the methyl-group behavior including the nuclear quantum and thermal effects shows that an unbalanced CβH2Mu group with the elongated Cβ-Mu bond rotates around the Cβ-Cα bond in a muoniated ethyl radical, quite differently from the CβH3 group with the three equivalent Cβ-H bonds in the ethyl radical. These rotations couple with other molecular motions such as the methylene-group rocking motion (inversion), leading to difficulties in reproducing the corresponding barrier heights. Our PIMD simulations successfully predict the barrier heights to be close to the experimental values and provide a significant improvement in muon and proton HFCCs given by the static conventional DFT method. Further investigation reveals that the Cβ-Mu/H stretching motion, methyl-group rotation, methylene-group rocking motion, and HFCC values deeply intertwine with each other. Because these motions are different between the radicals, a proper description of the structural fluctuations reflecting the nuclear quantum and thermal effects is vital to evaluate HFCC values in theory to be comparable to the experimental ones. Accordingly, a fundamental difference in HFCC between the radicals arises from their intrinsic molecular motions at a finite temperature, in

  13. (2,2′-Bipyridine-κ2N,N′bis(N-ethyl-N-methyldithiocarbamato-κ2S,S′zinc(II

    Directory of Open Access Journals (Sweden)

    Noorul Aisyah Abdul Ghafar

    2010-02-01

    Full Text Available The complete molecule of the title compound, [Zn(C4H8NS22(C10H8N2], is generated by crystallographic twofold symmetry, with the Zn atom lying on the rotation axis; the axis also bisects the central C—C bond of the 2,2′-bipyridine molecule. The metal atom is chelated by two S,S′-bidentate dithiocarbamate anions and the N,N′-bidentate heterocycle, resulting in a distorted cis-ZnN2S4 octahedral geometry. The methyl and ethyl groups of the anion are statistically disordered.

  14. Conformational Analysis of Indole Alkaloids Corynantheine and Dihydrocorynantheine by Dynamic 1H NMR Spectroscopy and Computational Methods: Steric Effects of Ethyl vs Vinyl Group

    DEFF Research Database (Denmark)

    Stærk, Dan; Norrby, Per-Ola; Jaroszewski, Jerzy W.

    2001-01-01

    . Line-shape analysis yielded enthalpy of activation DeltaH(double dagger) = 71 +/- 6 kJ/mol, and entropy of activation DeltaS(double dagger) = 33 +/- 6 J/mol(.)K. The major and minor conformation contains the methyl ether group above and below the plane of the ring, respectively, as determined by low...... bulk of the vinyl and the ethyl group. The conformational equilibria involving the side chain rotation as well as inversion of the bridgehead nitrogen in corynantheine and dihydrocorynantheine was studied by force-field (Amber(*) and MMFF) and ab initio (density-functional theory at the B3LYP/6-31G...

  15. Apoptosis and DNA Methylation

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Huan X.; Hackett, James A. [MRC Human Genetics Unit, IGMM, Western General Hospital, Edinburgh EH4 2XU (United Kingdom); Nestor, Colm [MRC Human Genetics Unit, IGMM, Western General Hospital, Edinburgh EH4 2XU (United Kingdom); Breakthrough Research Unit, University of Edinburgh, Western General Hospital, Edinburgh EH4 2XU (United Kingdom); Dunican, Donncha S.; Madej, Monika; Reddington, James P. [MRC Human Genetics Unit, IGMM, Western General Hospital, Edinburgh EH4 2XU (United Kingdom); Pennings, Sari [Queen' s Medical Research Institute, University of Edinburgh, Edinburgh EH16 4TJ (United Kingdom); Harrison, David J. [Breakthrough Research Unit, University of Edinburgh, Western General Hospital, Edinburgh EH4 2XU (United Kingdom); Meehan, Richard R., E-mail: Richard.Meehan@hgu.mrc.ac.uk [MRC Human Genetics Unit, IGMM, Western General Hospital, Edinburgh EH4 2XU (United Kingdom); Breakthrough Research Unit, University of Edinburgh, Western General Hospital, Edinburgh EH4 2XU (United Kingdom)

    2011-04-01

    Epigenetic mechanisms assist in maintaining gene expression patterns and cellular properties in developing and adult tissues. The molecular pathology of disease states frequently includes perturbation of DNA and histone methylation patterns, which can activate apoptotic pathways associated with maintenance of genome integrity. This perspective focuses on the pathways linking DNA methyltransferases and methyl-CpG binding proteins to apoptosis, and includes new bioinformatic analyses to characterize the evolutionary origin of two G/T mismatch-specific thymine DNA glycosylases, MBD4 and TDG.

  16. Apoptosis and DNA Methylation

    Directory of Open Access Journals (Sweden)

    Richard R. Meehan

    2011-04-01

    Full Text Available Epigenetic mechanisms assist in maintaining gene expression patterns and cellular properties in developing and adult tissues. The molecular pathology of disease states frequently includes perturbation of DNA and histone methylation patterns, which can activate apoptotic pathways associated with maintenance of genome integrity. This perspective focuses on the pathways linking DNA methyltransferases and methyl-CpG binding proteins to apoptosis, and includes new bioinformatic analyses to characterize the evolutionary origin of two G/T mismatch-specific thymine DNA glycosylases, MBD4 and TDG.

  17. Design, synthesis and evaluation of constrained methoxyethyl (cMOE) and constrained ethyl (cEt) nucleoside analogs.

    Science.gov (United States)

    Seth, Punit P; Siwkowski, Andrew; Allerson, Charles R; Vasquez, Guillermo; Lee, Sam; Prakash, Thazha P; Kinberger, Garth; Migawa, Michael T; Gaus, Hans; Bhat, Balkrishen; Swayze, Eric E

    2008-01-01

    Antisense drug discovery technology is a powerful method to modulate gene expression in animals and represents a novel therapeutic platform.(1) We have previously demonstrated that replacing 2'O-methoxyethyl (MOE, 2) residues in second generation antisense oligonucleotides (ASOs) with LNA (3) nucleosides improves the potency of some ASOs in animals. However, this was accompanied with a significant increase in the risk for hepatotoxicity.(2) We hypothesized that replacing LNA with novel nucleoside monomers that combine the structural elements of MOE and LNA might mitigate the toxicity of LNA while maintaining potency. To this end we designed and prepared novel nucleoside analogs 4 (S-constrained MOE, S-cMOE) and 5 (R-constrained MOE, R-cMOE) where the ethyl chain of the 2'O-MOE moiety is constrained back to the 4' position of the furanose ring. As part of the SAR series, we also prepared nucleoside analogs 7 (S-constrained ethyl, S-cEt) and 8 (R-constrained Ethyl, R-cEt) where the methoxymethyl group in the cMOE nucleosides was replaced with a methyl substituent. A highly efficient synthesis of the nucleoside phosphoramidites with minimal chromatography purifications was developed starting from cheap commercially available starting materials. Biophysical evaluation revealed that the cMOE and cEt modifications hybridize complementary nucleic acids with the same affinity as LNA while greatly increasing nuclease stability. Biological evaluation of oligonucleotides containing the cMOE and cEt modification in animals indicated that all of them possessed superior potency as compared to second generation MOE ASOs and a greatly improved toxicity profile as compared to LNA.

  18. Comparison of formalin-ethyl ether sedimentation, formalin-ethyl acetate sedimentation, and zinc sulfate flotation techniques for detection of intestinal parasites.

    OpenAIRE

    Truant, A L; Elliott, S H; Kelly, M T; Smith, J. H.

    1981-01-01

    Formalin-ethyl ether sedimentation, Formalin-ethyl acetate sedimentation, and zinc sulfate flotation techniques were compared using over 250 clinical parasitology specimens. Fifty positive specimens were identified, and a variety of parasites, including amoebae, flagellates, cestodes, nematodes, and trematodes, were encountered. The Formalin-ether and Formalin-ethyl acetate sedimentation procedures gave identical results for the detection of cysts, ova, and larvae, and these methods offered a...

  19. Evaluation of poly(2-ethyl-2-oxazoline) containing copolymer networks of varied composition as sustained metoprolol tartrate delivery systems.

    Science.gov (United States)

    Kostova, Bistra; Ivanova, Sijka; Balashev, Konstantin; Rachev, Dimitar; Christova, Darinka

    2014-08-01

    Segmented copolymer networks (SCN) based on poly(2-ethyl-2-oxazoline) and containing 2-hydroxyethyl methacrylate, 2-hydroxypropyl acrylate, and/or methyl methacrylate segments have been evaluated as potential sustained release systems of the water soluble cardioselective β-blocker metoprolol tartrate. The structure and properties of the drug carriers were investigated by differential scanning calorimetry, attenuated total reflectance Fourier transform infrared spectroscopy, scanning electron microscopy, and atomic force microscopy. Swelling kinetics of SCNs in various media was followed, and the conditions for effective MT loading were specified. MT-loaded SCNs with drug content up to 80 wt.% were produced. The release kinetics of metoprolol tartrate from the systems was studied and it was shown that the conetworks of different structure and composition are able to sustain the metoprolol tartrate release without additional excipients.

  20. Synthesis of doubly ethyl-bridged bis(p-sulfonatocalix[4]arene) and its supramolecular polymerization with viologen dimer.

    Science.gov (United States)

    Wang, Kun-Peng; Guo, Dong-Sheng; Zhao, Hong-Xia; Liu, Yu

    2014-04-01

    A water-soluble supramolecular polymer with a high degree of polymerization and viscosity has been constructed based on the strong host-guest interaction between p-sulfonatocalix[4]arenes (SC4As) and viologen. A homoditopic doubly ethyl-bridged bis(p-sulfonatocalix[4]arene) (d-SC4A) was prepared and its binding behavior towards methyl viologen compared with the singly ethyl-bridged bis(p-sulfonatocalix[4]arene) (s-SC4A) by NMR spectroscopy and isothermal titration calorimetry. By employing a viologen dimer (bisMV(4+)) as the homoditopic guest, two linear AA/BB-type supramolecular polymers, d-SC4A⊃bisMV(4+) and s-SC4A⊃bisMV(4+), were successfully constructed. Compared with s-SC4A⊃bisMV(4+), d-SC4A⊃bisMV(4+) shows much higher solubility and viscosity, and has also been characterized by viscosity, diffusion-ordered NMR spectroscopy, dynamic light scattering, and atomic force microscopy measurements. Furthermore, the polymer is responsive to electrostimulus as viologen is electroactive, which was studied by cyclic voltammetry. This study represents a proof-of-principle as the polymer can potentially be applied as a self-healing and degradable polymeric material.

  1. Molecular Dynamics Studies on Liquid/Vapor Interface Properties and Structures of 1-Ethyl-3-methylimidazolium Dimethylphosphate-Water.

    Science.gov (United States)

    Li, Tianyu; Zhao, Zongchang; Zhang, Xiaodong; Sun, Xican

    2017-04-13

    1-Ethyl-3-methylimidazolium dimethylphosphate ([Emim][Dmp])-water binary solution is one of the promising new working-pairs for absorption heat pump and absorption chillers, which are widely used to recover industrial waste heat. In the absorption process, the mass and heat transfer at the interface greatly depend on interface microscopic structure. Therefore, in order to understand the absorption process, it is very important to study the interface microscopic structure. The liquid-vapor interface properties, as well as the orientation of [Emim](+), [Dmp](-), water at the interface and its aqueous solution with different water mole fraction, were studied using classical all-atom force field by molecular dynamic simulations. The simulated bulk mass density fitted by hyperbolic tangent function for each system was in good agreement with the experiment data, with the relative deviation between simulated and experimental value within 2%. The simulated results indicate that anion is always distributed at the outmost layer of the interface, followed by cation and water molecule. In [Emim][Dmp], the tilt angle of imidazolium rings to the surface normal is in the range of 0° interface, but almost all ethyl intend to tilt toward gas phase and the methyl tilt toward liquid bulk compared with pure [Emim][Dmp]. Two methyl in anion prefer to turn toward gas phase and its two PO vectors toward liquid bulk. This orientation indicates that pure [Emim][Dmp] absorb water in gas phase more easily than [Emim][Dmp]+H2O system does. Water molecules are distributed in the inner layer of the interface with two OH vectors (from O atom to H atom) tilting toward external surface.

  2. Allergic contact dermatitis from ethyl chloride and benzocaine.

    Science.gov (United States)

    Carazo, Juan Luis Anguita; Morera, Blanca Sáenz de San Pedro; Colom, Luis Palacios; Gálvez Lozano, José Manuel

    2009-01-01

    Ethyl chloride (EC) or chloroethane (C2H5Cl) is a volatile halogenated hydrocarbon. Reports of contact sensitivity to this gas are infrequent considering its widespread use as a local anesthetic, and it may have a relatively low sensitization potential. Benzocaine is another local anesthetic derivative of the ethyl ester of para-aminobenzoic acid, previously reported as a causative agent of delayed hypersensitivity reactions. We present a patient who developed a generalized itching dermatitis after the application of a medical aerosol containing EC, as well as facial angioedema and tongue swelling after the local application of benzocaine. Patch-test results were positive for EC "as is" (++), benzocaine 5% in petrolatum (++), and caine mix (+++) at 96 hours (day 4). The possibility of cross-sensitization between both drugs would not have been chemically plausible. We report the first published clinical case of contact allergic dermatitis from two chemically unrelated local anesthetics (EC and benzocaine) in the same patient.

  3. Structural analysis of 1-ethyl-3-methylimidazolium bifluoride melt

    Science.gov (United States)

    Matsumoto, Kazuhiko; Hagiwara, Rika; Ito, Yasuhiko; Kohara, Shinji; Suzuya, Kentaro

    2003-01-01

    The structure of 1-ethyl-3-methylimidazolium bifluoride (EMImF · HF) melt has been analyzed at 333 K by a high-energy synchrotron X-ray diffraction method. The total correlation function of the EMImF · HF melt was similar to that of the solid state, indicating that not only the short range but also the intermediate-range ordering in the solid are partially preserved in the liquid state. The intra-molecular F-F correlation in the anions clearly appears in the total correlation function of the EMImF · HF melt, whereas prominent peaks are not observed in the case of a room temperature molten salt, 1-ethyl-3-methylimidazolium fluorohydrogenate.

  4. Structural analysis of 1-ethyl-3-methylimidazolium bifluoride melt

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, Kazuhiko; Hagiwara, Rika. E-mail: hagiwara@energy.kyoto-u.ac.jp; Ito, Yasuhiko; Kohara, Shinji; Suzuya, Kentaro

    2003-01-01

    The structure of 1-ethyl-3-methylimidazolium bifluoride (EMImF {center_dot} HF) melt has been analyzed at 333 K by a high-energy synchrotron X-ray diffraction method. The total correlation function of the EMImF {center_dot} HF melt was similar to that of the solid state, indicating that not only the short range but also the intermediate-range ordering in the solid are partially preserved in the liquid state. The intra-molecular F-F correlation in the anions clearly appears in the total correlation function of the EMImF {center_dot} HF melt, whereas prominent peaks are not observed in the case of a room temperature molten salt, 1-ethyl-3-methylimidazolium fluorohydrogenate.

  5. [Influence of ethyl alcohol on diabetes pathogenesis type].

    Science.gov (United States)

    Zasimowicz, Elzbieta; Wolszczak, Blanka; Zasimowicz, Barbara

    2014-03-01

    Relations between metabolism of carbohydrates and ethyl alcohol consumption became a subject of many research because they occur very frequently amongst alcoholics. One of the most often and dangerous effects of abusing ethanol is hypoglycemia. It is caused by hepatic gluconeogenesis disturbed by ethyl alcohol. Chronic result of abusing alcohol is chronic pancreas inflammation (PZT), what causes disorders of exo- and endocrine function of pancreas. Endocrine function is secretion of insulin and the glucagon what regulates metabolism of absorbed compounds. Failure of beta cells of Langerhans islets causes diabetes demanding insulin therapy. The ethanol can cause recurring diabetes resulting from damage of cells of Langerhans islets but can be also the risk factor of diabetes type 2.

  6. Synthesis of ethyl isovalerate using Rhizomucor miehei lipase: optimization.

    Science.gov (United States)

    Chowdary, G V; Prapulla, S G

    2003-01-01

    Immobilized lipase from Rhizomucor miehei (Lipozyme IM-20) was used to catalyze the esterification reaction between isovaleric acid and ethanol to synthesize ethyl isovalerate in n-hexane. Response surface methodology based on five-level four-variable central composite rotatable design was employed to optimize four important reaction variables such as enzyme/substrate E/S ratio, substrate concentration, incubation time, and temperature affecting the synthesis of ethyl isovalerate. The optimum conditions predicted for achieving maximum ester yield (500 mM) are as follows: E/S ratio, 48.41 g/mol; substrate concentration, 1 M; reaction time, 60 h; temperature, 60 degrees C. The predicted value matched well with experimentally obtained value of 487 mM.

  7. Highly efficient palladium-catalyzed hydrostannation of ethyl ethynyl ether.

    Science.gov (United States)

    Andrews, Ian P; Kwon, Ohyun

    2008-12-08

    The palladium-catalyzed hydrostannation of acetylenes is widely exploited in organic synthesis as a means of forming vinyl stannanes for use in palladium-catalyzed cross-coupling reactions. Application of this methodology to ethyl ethynyl ether results in an enol ether that is challenging to isolate from the crude reaction mixture because of incompatibility with typical silica gel chromatography. Reported here is a highly efficient procedure for the palladium-catalyzed hydrostannation of ethyl ethynyl ether using 0.1% palladium(0) catalyst and 1.0 equiv of tributyltin hydride. The product obtained is a mixture of regioisomers that can be carried forward with exclusive reaction of the beta-isomer. This method is highly reproducible; relative to previously reported procedures, it is more economical and involves a more facile purification procedure.

  8. Elevated plasma creatinine due to creatine ethyl ester use.

    Science.gov (United States)

    Velema, M S; de Ronde, W

    2011-02-01

    Creatine is a nutritional supplement widely used in sport, physical fitness training and bodybuilding. It is claimed to enhance performance. We describe a case in which serum creatinine is elevated due to the use of creatine ethyl esther. One week after withdrawal, the plasma creatinine had normalised. There are two types of creatine products available: creatine ethyl esther (CEE) and creatine monohydrate (CM). Plasma creatinine is not elevated in all creatine-using subjects. CEE , but not CM, is converted into creatinine in the gastrointestinal tract. As a result the use of CEE may be associated with elevated plasma creatinine levels. Since plasma creatinine is a widely used marker for renal function, the use of CEE may lead to a false assumption of renal failure.

  9. Preparation of ethyl magnesium bromide for regiospecific analysis of triacylglycerols.

    Science.gov (United States)

    Ando, Yasuhiro; Tomita, Yuki; Haba, Yusuke

    2008-01-01

    This paper presents a procedure for preparation of a Grignard reagent, ethyl magnesium bromide, used for partial deacylation of triacylglycerols (TAG) in their regiospecific analysis. Magnesium turnings were reacted with ethereal solution of bromoethane in a screw-capped test tube to synthesize 2 mL of 1 M ethyl magnesium bromide. Continuously stirred with a vortex mixer, the reaction smoothly proceeded at room temperature. Regiospecific analysis of 1,3-distearoyl-2-oleoylglycerol using this product showed that fatty acid compositions of the sn-1(3) and sn-2 positions were contaminated by less than 2 mol% of fatty acids migrated from isomeric positions. The analyses of lard and cod liver/mackerel oil TAG showed typical distribution patterns of 16:0, 22:5n-3 and 22:6n-3 in pig and fish depot TAG. These results confirmed the view that the freshly prepared reagent is usable for regiospecific analysis of TAG.

  10. Identification of anhydroecgonine ethyl ester in the urine of a drug overdose victim.

    Science.gov (United States)

    Myers, Alan L; Williams, Heather E; Kraner, James C; Callery, Patrick S

    2005-11-01

    Toxicological evaluation of postmortem urine collected from a 41-year-old deceased white male detected anhydroecgonine ethyl ester (ethylecgonidine, AEEE), a transesterification product of smoked cocaine co-abused with ethanol. A solid phase extraction (SPE) method was used to extract cocaine, AEEE, and related metabolites from urine. SPE on a 1 mL urine sample from the decedent followed by GC-MS detected AEEE. Other metabolites identified by GC-MS included cocaine, cocaethylene, and anhydroecgonine methyl ester (AEME). To determine whether some or all of the AEEE was artifactually produced in the heated GC injector port, an alternative LC-MS method was developed. LC/MS following SPE found at least 50 ng/mL of AEEE in the extract. The mass fragmentation (MS/MS and MS3) of AEEE detected in the urine was compared to spectra of authentic, synthesized compound. AEEE is a potential additional forensic marker for the co-abuse of smoked cocaine and ethanol.

  11. Methylated β-Cyclodextrins

    DEFF Research Database (Denmark)

    Schönbeck, Jens Christian Sidney; Westh, Peter; Madsen, Jens Christian

    2011-01-01

    groups at O2 promote complexation by extending the hydrophobic cavity. Like in the case of 2-hydroxypropylated cyclodextrins, the methyl substituents cause an increased release of ordered water from the hydration shell of the bile salts, resulting in a strong increase in both the enthalpy and the entropy...

  12. Methylated β-Cyclodextrins

    DEFF Research Database (Denmark)

    Schönbeck, Jens Christian Sidney; Westh, Peter; Madsen, Jens Christian

    2011-01-01

    groups at O2 promote complexation by extending the hydrophobic cavity. Like in the case of 2-hydroxypropylated cyclodextrins, the methyl substituents cause an increased release of ordered water from the hydration shell of the bile salts, resulting in a strong increase in both the enthalpy and the entropy...

  13. 3-Chloro-2-ethyl-6-nitro-2H-indazole

    Directory of Open Access Journals (Sweden)

    Mohamed Mokhtar Mohamed Abdelahi

    2017-05-01

    Full Text Available In the title compound, C9H8ClN3O2, the orientation of the ethyl substituent is partly determined by an intramolecular C—H...Cl hydrogen bond. The indazole moiety is slightly folded with an angle of 0.70 (8° between the five- and six-membered rings. In the crystal, molecules pack in layers parallel to [100] through C—H...π(ring and N...;O...π(ring interactions.

  14. Adsorption-Desorption Characteristics of Chlorimuron-Ethyl in Soils

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The adsorption-desorption characteristics of chlorimuron-ethyl in soils were investigated to provide the basic data for evaluating the safety in field and the risk to water resource. The adsorption-desorption experiment was conducted by the batch equilibration and HPLC techniques; furthermore, data were analyzed with 5 mathematic models to describe the characteristics and mechanism of adsorption-desorption and translocation of the herbicide in soils. The results showed that the adsorption-desorption isotherms of chlorimuron-ethyl fitted for the Freundlich model well, and the physical reaction presents the main contribution during the adsorption-desorption process. The adsorption values (Kads-f) of chlorimuron-ethyl in 8 types of soil ranged from 0.798 to 6.891. The isotherms of 2# (Jiangxi clay) and 3# (Jiangxi sand loam)soils belong to the S-type curve, while the isotherms of another 6 type soils belong to the L-type isotherm. The results of desorption indicated that the hysteresis phenomena appeared during the desorption process, and the hysteresis coefficients(H) of the herbicides in 8 soils varied from 0.259-0.980. Furthermore, Kads-f and desorption values (Kdes-f) increased with the OM (%) and the clay content increasing, while the values decreased with the soils pH increasing. The H values decreased with the OM and the clay content increasing, and increased with the soils pH increasing. It can be concluded that the low adsorption abilities of chlorimuron-ethyl in test soils and un-reversible adsorption existed in the process, which will induce the great translocation of the herbicide after application in field. It can be transported to ground or groundwater causing risk to environments. The physical and chemical properties of soils, including the OM, the clay content, and the pH of soil were the dominating factors during the adsorption-desorption.

  15. Vanadium (beta-(dimethylamino)ethyl)cyclopentadienyl complexes with diphenylacetylene ligands

    NARCIS (Netherlands)

    Liu, Guohua; Lu, Xiaoquan; Gagliardo, Marcella; Beetstra, Dirk J.; Meetsma, Auke; Hessen, Bart; Liu, Gaifen

    2008-01-01

    Reduction of the V(III) (beta-(dimethylamino)ethyl)cyclopentadienyl dichloride complex [eta(5):eta(1-) C5H4(CH2)(2)NMe2]VCl2(PMe3) (1) with 1 equiv of Na/Hg yielded the V(II) dimer {[eta(5):eta(1)-C5H4(CH2)(2)NMe2]V(mu-Cl)}(2) (2). This compound reacted with diphenylacetylene in THF to give the V(II

  16. Bioequivalence Demonstration for Ω-3 Acid Ethyl Ester Formulations: Rationale for Modification of Current Guidance.

    Science.gov (United States)

    Maki, Kevin C; Johns, Colleen; Harris, William S; Puder, Mark; Freedman, Steven D; Thorsteinsson, Thorsteinn; Daak, Ahmed; Rabinowicz, Adrian L; Sancilio, Frederick D

    2017-02-08

    The US Food and Drug Administration (FDA) draft guidance for establishing bioequivalence (BE) of ω-3 acid ethyl esters (containing both eicosapentaenoic acid [EPA] and docosahexaenoic acid [DHA] as ethyl esters), used to treat severe hypertriglyceridemia, recommends the conduct of 2 studies: one with participants in the fasting state and one with participants in the fed state. For the fasting study, the primary measures of BE are baseline-adjusted EPA and DHA levels in total plasma lipids. For the fed study, the primary measures of BE are EPA and DHA ethyl esters in plasma. This guidance differs from that established for icosapent ethyl (EPA ethyl esters) in which the primary measure of BE is baseline-adjusted total EPA in plasma lipids for both the fasting and fed states. The FDA guidance for ω-3 acid ethyl esters is not supported by their physiologic characteristics and triglyceride-lowering mechanisms because EPA and DHA ethyl esters are best characterized as pro-drugs. This article presents an argument for amending the FDA draft guidance for ω-3 acid ethyl esters to use baseline-adjusted EPA and DHA in total plasma lipids as the primary measures of BE for both fasting and fed conditions. This change would harmonize the approaches for demonstration of BE for ω-3 acid ethyl esters and icosapent ethyl (EPA ethyl esters) products for future development programs and is the most physiologically rational approach to BE testing.

  17. Sensory reception of the primer pheromone ethyl oleate

    Science.gov (United States)

    Muenz, Thomas S.; Maisonnasse, Alban; Plettner, Erika; Le Conte, Yves; Rössler, Wolfgang

    2012-05-01

    Social work force distribution in honeybee colonies critically depends on subtle adjustments of an age-related polyethism. Pheromones play a crucial role in adjusting physiological and behavioral maturation of nurse bees to foragers. In addition to primer effects of brood pheromone and queen mandibular pheromone—both were shown to influence onset of foraging—direct worker-worker interactions influence adult behavioral maturation. These interactions were narrowed down to the primer pheromone ethyl oleate, which is present at high concentrations in foragers, almost absent in young bees and was shown to delay the onset of foraging. Based on chemical analyses, physiological recordings from the antenna (electroantennograms) and the antennal lobe (calcium imaging), and behavioral assays (associative conditioning of the proboscis extension response), we present evidence that ethyl oleate is most abundant on the cuticle, received by olfactory receptors on the antenna, processed in glomeruli of the antennal lobe, and learned in olfactory centers of the brain. The results are highly suggestive that the primer pheromone ethyl oleate is transmitted and perceived between individuals via olfaction at close range.

  18. Fragrance material review on ethyl phenyl carbinyl acetate.

    Science.gov (United States)

    McGinty, D; Letizia, C S; Api, A M

    2012-09-01

    A toxicologic and dermatologic review of ethyl phenyl carbinyl acetate when used as a fragrance ingredient is presented. Ethyl phenyl carbinyl acetate is a member of the fragrance structural group Aryl Alkyl Alcohol Simple Acid Esters (AAASAE). The AAASAE fragrance ingredients are prepared by reacting an aryl alkyl alcohol with a simple carboxylic acid (a chain of 1-4 carbons) to generate formate, acetate, propionate, butyrate, isobutyrate and carbonate esters. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for ethyl phenyl carbinyl acetate were evaluated, then summarized, and includes: physical properties; acute toxicity; skin irritation; and skin sensitization data. A safety assessment of the entire AAASAE will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all AAASAE in fragrances. Copyright © 2012 Elsevier Ltd. All rights reserved.

  19. Separation optimization for the recovery of phenyl ethyl alcohol.

    Science.gov (United States)

    Priddy, S A; Hanley, T R; Effler, W T

    1999-01-01

    Phenyl ethyl alcohol is a compound that occurs naturally in flower petals and in many common beverages, such as beer. Desire for the floral, rose-like notes imparted by phenyl ethyl alcohol has created a unique niche for this chemical in flavor and fragrance industries. Phenyl ethyl alcohol can be produced by Saccharomyces cerevisiae via bioconversion. Often this method of production results in extremely low yields, thus placing a great deal of importance on recovery and purification of the valuable metabolite. To determine the best method for recovering the chemical, a primary recovery step and a secondary recovery step were developed. The primary recovery step consisted of comparing dead-end filtration with crossflow ultrafiltration. Crossflow ultrafiltration was ultimately selected to filter the fermentation broth because of its high flow rates and low affinity for the product. The secondary recovery step consisted of a comparison of liquid- liquid extraction and hydrophobic resin recovery. The hydrophobic resin was selected because of its higher rate of recovery and a higher purity than the liquid-liquid extraction, the current practice of Brown-Forman.

  20. Photodissociation dynamics of ethyl ethynyl ether: A ketenyl radical precursor

    Science.gov (United States)

    Krisch, Maria; Miller, Johanna; Butler, Laurie; Su, Hongmei; Bersohn, Richard; Shu, Jinian

    2006-03-01

    We investigate the photodissociation dynamics of ethyl ethynyl ether at 193.3 nm with crossed laser-molecular beam photofragment translational spectroscopy and laser-induced fluorescence. We establish ethyl ethynyl ether as the first clean precursor to the ketenyl radical, a key species in combustion reactions. One major bond fission channel was observed for the system, cleavage along the HCCO-C2H5 bond, leading to ground state C2H5 (ethyl) radicals and HCCO (ketenyl) radical products in two distinct electronic states. We observed neither cleavage of the other C-O bond nor molecular elimination to form C2H4 + CH2CO (ketene). Ketenyl radicals formed in the higher recoil kinetic energy channel could be either X(^2A") or Ã(^2A') state ketenyl radical. We assign the lower recoil kinetic energy channel to the spin forbidden ã(^4A") state of the ketenyl radical, reached through intersystem crossing. Laser-induced fluorescence from the ketenyl radical peaks after a 20 μs delay, indicating that it is formed with a significant amount of internal energy and subsequently relaxes to the lowest vibrational level of the ground electronic state, a result consistent with the product assignment.

  1. Impact of Association Colloids on Lipid Oxidation in Triacylglycerols and Fatty Acid Ethyl Esters.

    Science.gov (United States)

    Homma, Rika; Suzuki, Karin; Cui, Leqi; McClements, David Julian; Decker, Eric A

    2015-11-25

    The impact of association colloids on lipid oxidation in triacylglycerols and fatty acid ethyl esters was investigated. Association colloids did not affect lipid oxidation of high oleic safflower and high linoleic safflower triacylglycerols, but were prooxidative in fish triacylglycerols. Association colloids retarded aldehyde formation in stripped ethyl oleate, linoleate, and fish oil ethyl esters. Interfacial tension revealed that lipid hydroperoxides were surface active in the presence of the surfactants found in association colloids. The lipid hydroperoxides from ethyl esters were less surface active than triacylglycerol hydroperoxides. Stripping decreased iron and copper concentrations in all oils, but more so in fatty acid ethyl esters. The combination of lower hydroperoxide surface activity and low metal concentrations could explain why association colloids inhibited lipid oxidation in fatty acid ethyl esters. This research suggests that association colloids could be used as an antioxidant technology in fatty acid ethyl esters.

  2. Phase diagram measurements by Heat-flux DSC and thermodynamic calculations of the mixture of the Esters Ethyl undecanoate (C13H26O2) and Ethyl tridecanoate (C15H30O2)

    NARCIS (Netherlands)

    Schaftenaar, H.P.C.

    2006-01-01

    In this report a phase diagram is determined by heat flux DSC of the binary mixture Ethyl undecanoate and Ethyl tridecanoate. Our hypothesis for equilibrium phase behaviour is that the components Ethyl undecanoate and Ethyl tridecanoate do have the same crystal form and they have restricted miscibil

  3. SYNTHESIS OF POLY(METHYL METHACRYLATE)-graft-POLYSTYRENE BY ATOM TRANSFER RADICAL POLYMERIZATION

    Institute of Scientific and Technical Information of China (English)

    Sheng-min Gong; Qun-sheng Li; Yan Shi; Zhi-feng Fu; Shu-ke Jiao; Wan-tai Yang

    2003-01-01

    The radical copolymerization of methyl methacrylate and 2-hydroxyethyl methacrylate was carried out via atom complex. This polymerization proceeds in a living fashion with controlled molecular weight and low polydispersity. The obtained copolymer was esterified with 2-bromoisobutylryl bromide yielding a macroinitiator, poly(methyl methacrylate-co-2-hydroxyethyl methacrylate-co-2-(2-bromoisobutyryloxy)ethyl methacrylate), and its structure was characterized by 1HNMR. This macroinitiator was used for ATRP of styrene to synthesize poly(methyl methacrylate)-grafi-polystyrene. The molecular weight of graft copolymer increased with the monomer conversion, and the polydispersity remained relatively low.The individual grafted polystyrene chains were cleaved from the macroinitiator backbone by hydrolysis and the hydrolyzed product was characterized by 1H-NMR and GPC.

  4. Behaviour of Some Activated Nitriles Toward Barbituric Acid, Thiobarbituric Acid and 3-Methyl-1-Phenylpyrazol-5-one

    Directory of Open Access Journals (Sweden)

    M. M. Habashy

    2000-05-01

    Full Text Available The effect of some active methylene containing heterocyclic compounds, namely barbituric acid, thiobarbituric acid and 3-methyl-1-phenylpyrazol-5-one on a-cyano-3,4,5-trimethoxycinnamonitrile and ethyl a-cyano-3,4,5-trimethoxycinnamate (1a,b was investigated. The structure of the new products was substantiated by their IR,1H-NMR and mass spectra.

  5. Structure-activity relationship of daptomycin analogues with substitution at (2S, 3R) 3-methyl glutamic acid position.

    Science.gov (United States)

    Lin, Du'an; Lam, Hiu Yung; Han, Wenbo; Cotroneo, Nicole; Pandya, Bhaumik A; Li, Xuechen

    2017-02-01

    Daptomycin is a highly effective lipopeptide antibiotic against Gram-positive pathogens. The presence of (2S, 3R) 3-methyl glutamic acid (mGlu) in daptomycin has been found to be important to the antibacterial activity. However the role of (2S, 3R) mGlu is yet to be revealed. Herein, we reported the syntheses of three daptomycin analogues with (2S, 3R) mGlu substituted by (2S, 3R) methyl glutamine (mGln), dimethyl glutamic acid and (2S, 3R) ethyl glutamic acid (eGlu), respectively, and their antibacterial activities. The detailed synthesis of dimethyl glutamic acid was also reported.

  6. O-Methyl cyclolaudenol

    Directory of Open Access Journals (Sweden)

    Nisar Hussain

    2009-06-01

    Full Text Available The title compound (systematic name: 3-methoxy-24-methyl-9,19-cyclolanost-25-ene, C32H54O, is a triterpenoid which has been isolated from Skimmia laureola. The three six-membered rings adopt chair, slightly distorted half-chair and distorted boat conformations, and the five-membered ring adopts an envelope conformation. All the rings are trans fused.

  7. Ethyl loflazepate: a prodrug from the benzodiazepine series designed to dissociate anxiolytic and sedative activities.

    Science.gov (United States)

    Chambon, J P; Perio, A; Demarne, H; Hallot, A; Dantzer, R; Roncucci, R; Bizière, K

    1985-01-01

    Ethyl loflazepate (Victan) is an original 1,4-benzodiazepine (BZD) being used as a potent, nonsedative, minor tranquillizer. Ethyl loflazepate was designed to be a prodrug that would gradually release within the organism an active 1,4-BZD. It was hypothesized that this type of pharmacokinetic profile would dissociate anxiolytic from sedative activities. Previously published pharmacokinetic studies performed in rats, baboons and humans have confirmed that ethyl loflazepate gradually releases in the plasma an active 1,4-BZD, descarboxyloflazepate. In the present study, the activity of ethyl loflazepate and its main plasmatic metabolites were examined in rodent models predictive of anxiolytic, anticonvulsant, myorelaxant and sedative properties. The activities of ethyl loflazepate and its metabolites were compared to those of reference BZDs: diazepam, bromazepam, nitrazepam, flunitrazepam, lorazepam, clorazepate. Ethyl loflazepate and its metabolites revealed the typical profile of activity of minor tranquillizers. The activity of ethyl loflazepate was long-lasting. The overall anxiolytic potency of ethyl loflazepate was similar to that of diazepam but ethyl loflazepate appeared to be less sedative than diazepam. Thus in the approach-avoidance conflict procedure in rats the threshold anxiolytic doses were 1 and 2 mg/kg i.p. for ethyl loflazepate and diazepam, respectively, whereas the threshold sedative doses were 16 and 8 mg/kg i.p., respectively. In vitro ethyl loflazepate exhibited a weak affinity for the BZD receptor site. In vivo ethyl loflazepate displaced [3H]-flunitrazepam from mice brain membranes with a potency comparable to that of lorazepam. In vitro, descarboxyloflazepate, the main plasmatic metabolites of ethyl loflazepate, revealed a 4-fold greater affinity for the BZD receptor than diazepam.(ABSTRACT TRUNCATED AT 250 WORDS)

  8. Bis(6-methyl-4-hydroxy-3-quinolinecarboxylate) Mono(oxo)monohydroxyvanadium(Ⅴ)%6-甲基-4-羟基-喹啉酸盐羟基钒(Ⅴ)

    Institute of Scientific and Technical Information of China (English)

    杨高文; 谢永荣

    2005-01-01

    The central Ⅴ atom in bis[6-methyl-4-hydroxy-3-quinolinecarboxylate] mono(oxo)mono-hydroxy-vanadi-um(Ⅴ) (1), synthesized by the hydrothermal treatment of ethyl 6-methyl-4-hydroxy-3-quinolinecarboxylate andV2O5, has a distorted octahedral coordination geometry formed by six oxygen atoms from two oxygen atom of two hydroxy groups and two oxygen atoms of two carboxylate groups as well as one oxo group and hydroxy group. CCDC: 285592.

  9. Detection of vibrationally excited methyl formate in W51 e2

    Science.gov (United States)

    Demyk, K.; Wlodarczak, G.; Carvajal, M.

    2008-10-01

    Context: Hot cores in molecular clouds, such as Orion KL, Sgr B2, W51 e1/e2, are characterized by the presence of molecules at sufficiently high temperatures to populate their low-frequency vibrationally excited states significantly. Complex organic molecules, such as methyl formate, ethyl cyanide or dimethyl ether, are characterized by a dense spectrum both in the ground state and in the excited states and lines from vibrationally excited states certainly participate to the spectral confusion. Aims: Following a laboratory study of the first torsional excited mode of methyl formate, we search for methyl formate, HCOOCH3, in its first torsionally excited state (\\upsilon_t=1) in the molecular cloud W51 e2. Methods: We performed observations of the molecular cloud W51 e2 in different spectral regions at 1.3, 2, and 3 mm with the IRAM 30 m single dish antenna. Results: Methyl formate in its first torsionally excited state (\\upsilon_t=1 at 131 cm-1) is detected for the first time toward W51 e2. We detect 82 transitions among which 46 are unblended with other species. For a total of 16 A-E pairs in the observed spectrum, 9 are unblended; these 9 pairs are all detected. All transitions from excited methyl formate within the observed spectral range are detected and no strong lines are missing. The column density of the excited state is comparable to that of the ground state. For a source size of 7´´, we find that {T_rot} = 104 ± 14 K and N = 9.4+4.0-2.8 × 1016 cm-2 for the excited state and {T_rot} = 176 ± 24 K and N = 1.7+.2-.2 × 1017 cm-2 for the ground state. Lines from ethyl cyanide in its two first excited states (\\upsilon_t=1, torsion mode at 212 cm-1) and (\\upsilon_b=1, CCN in-plane bending mode at 206 cm-1) are also present in the observed spectrum. Blending problems prevent a precise estimate of its abundance, although as for methyl formate, it should be comparable to the value derived for the ground state for which we find {T_rot} = 103 ± 9 K and N = 3

  10. Methylation in hepatocellular carcinoma

    Directory of Open Access Journals (Sweden)

    Regina M. Santella

    2007-02-01

    Full Text Available

    The development of HCC is a complex, multistep, multistage process. The molecular pathogenesis of HCC appears to involve multiple genetic aberrations in the molecular control of hepatocyte proliferation, differentiation and death and the maintenance of genomic integrity. This process is influenced by the cumulative activation and inactivation of oncogenes, tumor suppressor genes and other genes. p53, a tumor suppressor gene, is the most frequently mutated gene in human cancers. There is also a striking sequence specific binding and induction of mutations by AFB1 at codon 249 of p53 in HCC.

    Epigenetic alterations are also involved in cancer development and progression. Methylation of promoter CpG islands is associated with inhibition of transcriptional initiation and permanent silencing of downstream genes.

    It is now known that most important tumor suppressor genes are inactivated, not only by mutations and deletions but also by promoter methylation. Several studies indicated that p16, p15, RASSF1A, MGMT, and GSTP1 promoter hypermethylation are prevalent in HCC. In addition, geographic variation in the methylation status of tumor DNA indicates that environmental factors may influence the frequent and concordant degree of hypermethylation in multiple genes in HCC and that epigeneticenvironmental interactions may be involved in hepatocarcinogenesis. We have found significant relationships between promoter methylation and AFB1-DNA adducts confirming the impact of environmental exposures on gene methylation.

    DNA isolated from serum or plasma of cancer patients frequently contains the same genetic and

  11. Synthesis of two potential NK1-receptor ligands using [1-11C]ethyl iodide and [1-11C]propyl iodide and initial PET-imaging

    Directory of Open Access Journals (Sweden)

    Genchel Tove

    2007-07-01

    Full Text Available Abstract Background The previously validated NK1-receptor ligand [O-methyl-11C]GR205171 binds with a high affinity to the NK1-receptor and displays a slow dissociation from the receptor. Hence, it cannot be used in vivo for detecting concentration changes in substance P, the endogenous ligand for the NK1-receptor. A radioligand used for monitoring these changes has to enable displacement by the endogenous ligand and thus bind reversibly to the receptor. Small changes in the structure of a receptor ligand can lead to changes in binding characteristics and also in the ability to penetrate the blood-brain barrier. The aim of this study was to use carbon-11 labelled ethyl and propyl iodide with high specific radioactivity in the synthesis of two new and potentially reversible NK1-receptor ligands with chemical structures based on [O-methyl-11C]GR205171. Methods [1-11C]Ethyl and [1-11C]propyl iodide with specific radioactivities of 90 GBq/μmol and 270 GBq/μmol, respectively, were used in the synthesis of [O-methyl-11C]GR205171 analogues by alkylation of O-desmethyl GR205171. The brain uptake of the obtained (2S,3S-N-(1-(2- [1-11C]ethoxy-5-(3-(trifluoromethyl-4H-1,2,4-triazol-4-ylphenylethyl-2-phenylpiperidin-3-amine (I and (2S,3S-2-phenyl-N-(1-(2- [1-11C]propoxy-5-(3-(trifluoromethyl-4H-1,2,4-triazol-4-ylphenylethylpiperidin-3-amine (II was studied with PET in guinea pigs and rhesus monkeys and compared to the uptake of [O-methyl-11C]GR205171. Results All ligands had similar uptake distribution in the guinea pig brain. The PET-studies in rhesus monkeys showed that (II had no specific binding in striatum. Ligand (I had moderate specific binding compared to the [O-methyl-11C]GR205171. The ethyl analogue (I displayed reversible binding characteristics contrary to the slow dissociation rate shown by [O-methyl-11C]GR205171. Conclusion The propyl-analogue (II cannot be used for detecting changes in NK1-ligand levels, while further studies should be

  12. Improved stability and enhanced efficiency to degrade chlorimuron-ethyl by the entrapment of esterase SulE in cross-linked poly (γ-glutamic acid)/gelatin hydrogel

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Liqiang [State Key Laboratory of Forest and Soil Ecology, Institute of Applied Ecology, Chinese Academy of Sciences, Shenyang (China); University of Chinese Academy of Sciences, Beijing (China); Li, Xinyu; Li, Xu; Su, Zhencheng; Zhang, Chenggang; Xu, MingKai [State Key Laboratory of Forest and Soil Ecology, Institute of Applied Ecology, Chinese Academy of Sciences, Shenyang (China); Zhang, Huiwen, E-mail: hwzhang@iae.ac.cn [State Key Laboratory of Forest and Soil Ecology, Institute of Applied Ecology, Chinese Academy of Sciences, Shenyang (China)

    2015-04-28

    Highlights: • Esterase SulE was entrapped in a three-dimensional network of CPE. • CPE-SulE obviously improved thermostability, pH stability and reusability. • CPE-SulE displayed obviously enhanced efficiency in degrading chlorimuron-ethyl. • The three-dimensional network and kinetic parameters of CPE-SulE were analysed. • CPE-SulE possesses the great potential to remediate chlorimuron-ethyl contaminated in situ. - Abstract: Free enzymes often undergo some problems such as easy deactivation, low stability, and less recycling in biodegradation processes, especially in soil condition. A novel esterase SulE, which is responsible for primary degradation of a wide range of sulfonylurea herbicides by methyl or ethyl ester de-esterification, was expressed by strain Hansschlegelia sp. CHL1 and entrapped for the first time in an environment-friendly, biocompatible and biodegradable cross-linked poly (γ-glutamic acid)/gelatin hydrogel (CPE). The activity and stability of CPE-SulE were compared with free SulE under varying pH and temperature condition by measuring chlorimuron-ethyl residue. Meanwhile, the three-dimensional network of CPE-SulE was verified by scanning electron microscopy (SEM). The results showed that CPE-SulE obviously improved thermostability, pH stability and reusability compared with free SulE. Furthermore, CPE-SulE enhanced degrading efficiency of chlorimuron-ethyl in both soil and water system, especially in acid environment. The characteristics of CPE-SulE suggested the great potential to remediate chlorimuron-ethyl contaminated soils in situ.

  13. Influence of Gilbert's syndrome on the formation of ethyl glucuronide.

    Science.gov (United States)

    Huppertz, Laura M; Gunsilius, Leonie; Lardi, Christelle; Weinmann, Wolfgang; Thierauf-Emberger, Annette

    2015-09-01

    A drinking experiment with participants suffering from Gilbert's syndrome was performed to study the possible influence of this glucuronidation disorder on the formation of ethyl glucuronide (EtG). Gilbert's syndrome is a rather common and, in most cases, asymptomatic congenital metabolic aberration with a prevalence of about 5 %. It is characterized by a reduction of the enzyme activity of the uridine diphosphate glucuronosyltransferase (UGT) isoform 1A1 up to 80 %. One of the glucuronidation products is EtG, which is formed in the organism following exposure to ethanol. EtG is used as a short-term marker for ethyl alcohol consumption to prove abstinence in various settings. After 2 days of abstinence from ethanol and giving a void urine sample, 30 study participants drank 0.1 L of sparkling wine (9 g ethanol). 3, 6, 12, and 24 h after drinking, urine samples were collected. 3 hours after drinking, an additional blood sample was taken, in which liver enzyme activities, ethanol, hematological parameters, and bilirubin were measured. EtG and ethyl sulfate (EtS), another short-term marker of ethanol consumption, were determined in the urine samples using liquid chromatography-tandem mass spectrometry (LC-MS/MS); creatinine was measured photometrically. In all participants, EtG and EtS were detected in concentrations showing a wide range (EtG: 3 h sample 0.5-18.43 mg/L and 6 h sample 0.67-13.8 mg/L; EtS: 3 h sample 0.87-6.87 mg/L and 6 h sample 0.29-4.48 mg/L). No evidence of impaired EtG formation was found. Thus, EtG seems to be a suitable marker for ethanol consumption even in individuals with Gilbert's syndrome.

  14. Methylation profiling using methylated DNA immunoprecipitation and tiling array hybridization.

    Science.gov (United States)

    Cheung, Hoi-Hung; Lee, Tin-Lap; Rennert, Owen M; Chan, Wai-Yee

    2012-01-01

    DNA methylation is an important epigenetic modification that regulates development and plays a role in the pathophysiology of many diseases. It is dynamically changed during germline development. Methylated DNA immunoprecipitation (MeDIP) is an efficient, cost-effective method for locus-specific and genome-wide analysis. Methylated DNA fragments are enriched by a 5-methylcytidine-recognizing antibody, therefore allowing the analysis of both CpG and non-CpG methylation. The enriched DNA fragments can be amplified and hybridized to tiling arrays covering CpG islands, promoters, or the entire genome. Comparison of different methylomes permits the discovery of differentially methylated regions that might be important in disease- or tissue-specific expression. Here, we describe an established MeDIP protocol and tiling array hybridization method for profiling methylation of testicular germ cells.

  15. Event extraction for DNA methylation

    Directory of Open Access Journals (Sweden)

    Ohta Tomoko

    2011-10-01

    Full Text Available Abstract Background We consider the task of automatically extracting DNA methylation events from the biomedical domain literature. DNA methylation is a key mechanism of epigenetic control of gene expression and implicated in many cancers, but there has been little study of automatic information extraction for DNA methylation. Results We present an annotation scheme for DNA methylation following the representation of the BioNLP shared task on event extraction, select a set of 200 abstracts including a representative sample of all PubMed citations relevant to DNA methylation, and introduce manual annotation for this corpus marking nearly 3000 gene/protein mentions and 1500 DNA methylation and demethylation events. We retrain a state-of-the-art event extraction system on the corpus and find that automatic extraction of DNA methylation events, the methylated genes, and their methylation sites can be performed at 78% precision and 76% recall. Conclusions Our results demonstrate that reliable extraction methods for DNA methylation events can be created through corpus annotation and straightforward retraining of a general event extraction system. The introduced resources are freely available for use in research from the GENIA project homepage http://www-tsujii.is.s.u-tokyo.ac.jp/GENIA.

  16. Brazilian vodkas have undetectable levels of ethyl carbamate

    Directory of Open Access Journals (Sweden)

    Elainy V. S. Pereira

    2013-01-01

    Full Text Available While in Europe vodka is mainly derived from potatoes or cereals, a large proportion of Brazilian vodka is likely obtained from sugarcane, which contains ethyl carbamate (EC precursors. EC, in addition to several other contaminants and congeners, were investigated in 32 samples of Brazilian vodka. All samples complied with the Brazilian regulations for congeners and contaminants, having EC content below 0.01 mg/L (detection limit. These results are probably related to the processing of vodka, in particular the use of extractive and rectifying stainless steel distillation columns, which allow the production of high strength spirits with low levels of congeners and contaminants.

  17. Cytotoxic constituents of ethyl acetate fraction from Dianthus superbus.

    Science.gov (United States)

    Ding, Chengli; Zhang, Wu; Li, Jie; Lei, Jiachuan; Yu, Jianqing

    2013-01-01

    The ethyl acetate fraction (EE-DS) from Dianthus superbus was found to possess the cytotoxic activity against cancer cells in previous study. To investigate cytotoxic constituents, the bioassay-guided isolation of compounds from EE-DS was performed. Two dianthramides (1 and 2), three flavonoids (3-5), two coumarins (6 and 7) and three other compounds (8-10) were obtained. Structures of isolated compounds were identified by spectroscopic analysis. Cytotoxicity of the compounds against HepG2 cells was evaluated. Compound 1 showed the strongest cytotoxicity, compounds 10, 4, 3 and 5 had moderate cytotoxicity.

  18. Binding of ethyl pyruvate to bovine serum albumin: Calorimetric, spectroscopic and molecular docking studies

    Energy Technology Data Exchange (ETDEWEB)

    Pathak, Mallika [Department of Chemistry, Miranda House, University of Delhi, Delhi 11007 (India); Mishra, Rashmi; Agarwala, Paban K. [Department of Radiation Genetics and Epigenetics, Division of Radioprotective Drug Development Research, Institute of Nuclear Medicine and Allied Sciences, Delhi 110054 (India); Ojha, Himanshu, E-mail: himanshu.drdo@gmail.com [Department of Radiation Genetics and Epigenetics, Division of Radioprotective Drug Development Research, Institute of Nuclear Medicine and Allied Sciences, Delhi 110054 (India); Singh, Bhawna [Department of Radiation Genetics and Epigenetics, Division of Radioprotective Drug Development Research, Institute of Nuclear Medicine and Allied Sciences, Delhi 110054 (India); Singh, Anju; Kukreti, Shrikant [Nucleic Acid Research Laboratory, Department of Chemistry, University of Delhi, Delhi 11007 (India)

    2016-06-10

    Highlights: • ITC study showed binding of ethyl pyruvate with BSA with high binding affinity. • Ethyl pyruvate binding caused conformation alteration of BSA. • Fluorescence quenching mechanism is static in nature. • Electrostatic, hydrogen bonding and hydrophobic forces involved in binding. • Docking confirmed role of electrostatic, hydrogen bonding and hydrophobic forces. - Abstract: Various in vitro and in vivo studies have shown the anti-inflammatory and anticancer potential role of ethyl pyruvate. Bio-distribution of drugs is significantly influenced by the drug-serum protein binding. Therefore, the binding mechanism of the ethyl pyruvate with bovine serum albumin was investigated using UV–vis absorption, fluorescence, circular dichroism, isothermal titration calorimetry and molecular docking techniques. Absorption and fluorescence quenching studies indicated the binding of ethyl pyruvate with protein. Circular dichroism spectra of bovine serum albumin confirmed significant change in the conformation of protein upon binding. Thermodynamic data confirmed that ethyl pyruvate binds to bovine serum albumin at the two different sites with high affinity. Binding of ethyl pyruvate to bovine serum albumin involves hydrogen bonding, van der Waal and hydrophobic interactions. Further, docking studies indicated that ethyl pyruvate could bind significantly at the three binding sites. The results will definitely contribute to the development of ethyl pyruvate as drug.

  19. Studies on biodegradation and molecular characterization of 2,4-D Ethyl Ester and Pencycuron induced Cyanobacteria by using GC-MS and 16S rDNA sequencing

    Directory of Open Access Journals (Sweden)

    J. I. Nirmal Kumar

    2013-03-01

    Full Text Available GC-MS study and molecular characterization by 16S rDNA amplification were carried out to evaluate differential effects of 2,4-D ethyl ester and pencycuron on Anabaena fertilissima, Aulosira fertilissima and Westiellopsis prolifica. Each organism has its own capacity to degrade both pesticides into various subgroups depending largely upon the main functional group of each individual pesticide. Hence, different subgroups like 2,4-D methyl ester, 2,4-D isobutyl ester, Isobutyric acid allyl ester, 3-Bromobutyric acid, 2,4-D butyl ester, Hydroxyurea, Trifluroacetic acid, 2-Methyl propyl ester, Acetic acid 2-propenyl ester and Acetic acid (2,3-dichlorophenoxy were transformed from 2,4-D ethyl ester while Benzoxazole was the only compound generated from pencycuron treated W. prolifica. The results obtained by 16S rDNA sequencing confirmed that 16S rDNA region of Anabaena fertilissima was more affected by 2,4-D ethyl ester as there was no homology in the region of 39 basepairs, in addition, several mismatches and gaps were observed, whereas less difference in 16S rDNA was observed in case of Aulosira fertilissima and W. prolific on forth day. However, there was no significant change in the sequence of 16S rDNA pattern of all the three test organisms after 16-days of exposure to pencycuron treatment.

  20. On the high-temperature unimolecular decomposition of ethyl levulinate

    KAUST Repository

    Alabbad, Mohammed

    2016-09-20

    The pyrolysis of ethyl levulinate (EL) was studied behind reflected shock waves over the temperature range of 1015-1325K and pressures of 750-1650Torr. The reaction progress was followed by measuring ethylene mole fraction using CO2 gas laser absorption near 10.532 μm. The rate coefficients for the unimolecular dissociation of EL were extracted from the initial slope method and further ascertained by using a complete kinetic model. Our data exhibited no discernible pressure dependence under the current experimental conditions. To rationalize our results further, high-level quantum chemical and master equation calculations were employed to calculate the pressure- and temperature-dependence of the reaction. Our calculations revealed that unimolecular dissociation of EL involves simultaneous 1,5-hydrogen shift of the β-hydrogen to the carbonyl group, rupture of the O-C ester bond and formation of the π-bond (C α -C β ). Our results present evidences that the C2H4 elimination from EL occurs in a concerted manner. To our knowledge, this work represents the first experimental and theoretical study of the thermal unimolecular dissociation of ethyl levulinate. © 2016 The Combustion Institute.

  1. Growth of glycine ethyl ester hydrochloride and its characterizations

    Science.gov (United States)

    Venkatesan, G.; Pari, S.

    2016-11-01

    Single crystal of glycine ethyl ester hydrochloride by slow evaporation method is reported. The grown crystal characterized by single crystal X-ray diffraction, FT-IR, UV-Vis-NIR and fluorescence spectroscopy. It is established that the crystal falls under the monoclinic system and space group P21/c with the cell parameters as: a=8.565 Å, b=12.943 Å, c=6.272 Å, α=γ=90°, β=103.630º. UV-Vis-NIR spectrum shows indirect allowed transition with a band gap of 5.21 eV and other optical properties are measured. The crystal is also shown to have a high transmittance in the visible region. The third order nonlinear property and optical limiting have been investigated using Z-Scan technique. Complex impedance spectrum measured at the dc conductivity. Dependence of dielectric constant, dielectric loss and ac conductivity on frequency at different temperature of applied ac field is analyzed. The mechanical behavior has been assessed by Vickers microhardness indenter. The thermal behavior of glycine ethyl ester hydrochloride was analyzed using TG/DTA thermal curves. From the thermal study, the material was found to possess thermal stability up to 174 °C. The predicted NLO properties, UV-Vis transmittance and Z-scan studies indicate that is an attractive material for photonics optical limiting applications.

  2. Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.

    Science.gov (United States)

    Panchaud, Philippe; Bruyère, Thierry; Blumstein, Anne-Catherine; Bur, Daniel; Chambovey, Alain; Ertel, Eric A; Gude, Markus; Hubschwerlen, Christian; Jacob, Loïc; Kimmerlin, Thierry; Pfeifer, Thomas; Prade, Lars; Seiler, Peter; Ritz, Daniel; Rueedi, Georg

    2017-05-11

    Our strategy to combat resistant bacteria consisted of targeting the GyrB/ParE ATP-binding sites located on bacterial DNA gyrase and topoisomerase IV and not utilized by marketed antibiotics. Screening around the minimal ethyl urea binding motif led to the identification of isoquinoline ethyl urea 13 as a promising starting point for fragment evolution. The optimization was guided by structure-based design and focused on antibacterial activity in vitro and in vivo, culminating in the discovery of unprecedented substituents able to interact with conserved residues within the ATP-binding site. A detailed characterization of the lead compound highlighted the potential for treatment of the problematic fluoroquinolone-resistant MRSA, VRE, and S. pneumoniae, and the possibility to offer patients an intravenous-to-oral switch therapy was supported by the identification of a suitable prodrug concept. Eventually, hERG K-channel block was identified as the main limitation of this chemical series, and efforts toward its minimization are reported.

  3. Influence of Body Mass Index on Hair Ethyl Glucuronide Concentrations.

    Science.gov (United States)

    Crunelle, Cleo L; Neels, Hugo; Maudens, Kristof; De Doncker, Mireille; Cappelle, Delphine; Matthys, Frieda; Dom, Geert; Fransen, Erik; Michielsen, Peter; De Keukeleire, Steven; Covaci, Adrian; Yegles, Michel

    2017-01-01

    Analysis of ethyl glucuronide (EtG) concentrations in hair is increasingly used to estimate the consumption of alcohol of the prior months. Linear correlations between the amount of alcohol consumed and the concentration of EtG in hair have been reported, and several variables that may influence this correlation have been investigated: e.g. cosmetic hair treatments, gender influences or hair color. Here, we investigate the influence of body mass index (BMI) on this correlation. A post hoc analysis on the influence of BMI on the relation between amounts of alcohol consumed and the measured EtG concentrations in hair in 199 participants. Our data show higher EtG concentrations in participants with high BMI (≥25) compared to participants with low BMI (hair EtG concentrations. Ethyl glucuronide concentrations in hair (hEtG) can be used to estimate the consumption of alcohol of the prior months. Body mass index (BMI) influences this relation and BMI should be taken into account when interpreting hEtG concentrations in participants with high BMI (≥25) compared to participants with low BMI (<25). © The Author 2016. Medical Council on Alcohol and Oxford University Press. All rights reserved.

  4. Growth of glycine ethyl ester hydrochloride and its characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Venkatesan, G.; Pari, S., E-mail: sparimyur@gmail.com

    2016-11-15

    Single crystal of glycine ethyl ester hydrochloride by slow evaporation method is reported. The grown crystal characterized by single crystal X-ray diffraction, FT-IR, UV–Vis–NIR and fluorescence spectroscopy. It is established that the crystal falls under the monoclinic system and space group P21/c with the cell parameters as: a=8.565 Å, b=12.943 Å, c=6.272 Å, α=γ=90°, β=103.630º. UV–Vis–NIR spectrum shows indirect allowed transition with a band gap of 5.21 eV and other optical properties are measured. The crystal is also shown to have a high transmittance in the visible region. The third order nonlinear property and optical limiting have been investigated using Z-Scan technique. Complex impedance spectrum measured at the dc conductivity. Dependence of dielectric constant, dielectric loss and ac conductivity on frequency at different temperature of applied ac field is analyzed. The mechanical behavior has been assessed by Vickers microhardness indenter. The thermal behavior of glycine ethyl ester hydrochloride was analyzed using TG/DTA thermal curves. From the thermal study, the material was found to possess thermal stability up to 174 °C. The predicted NLO properties, UV–Vis transmittance and Z-scan studies indicate that is an attractive material for photonics optical limiting applications.

  5. Dissociative photoionization of ethyl acrylate: Theoretical and experimental insights

    Science.gov (United States)

    Song, Yanlin; Chen, Jun; Ding, Mengmeng; Wei, Bin; Cao, Maoqi; Shan, Xiaobin; Zhao, Yujie; Huang, Chaoqun; Sheng, Liusi; Liu, Fuyi

    2015-08-01

    The photoionization and dissociation of ethyl acrylate have been investigated by time-of-flight mass spectrometer with tunable vacuum ultraviolet (VUV) source in the range of 9.0-20.0 eV. The photoionization mass spectrum (PIMS) for ethyl acrylate and photoionization efficiency (PIE) curves for its major fragment ions: C5H7O2+, C4H5O2+, C3H5O2+, C3H4O+, C3H3O+, C2H5O+, C2H3O+, C2H5+ and C2H4+ have been obtained. The formation channels of main fragments are predicted by Gaussian 09 program at G3B3 level and examined via their dissociation energies from experimental results. Based on our analysis, nine main dissociative photoionization channels are proposed: C5H7O2+ + H, C4H5O2+ + CH3, C3H5O2+ + C2H3, C3H4O+ + C2H4O, C3H3O+ + C2H5O, C2H5O+ + C3H3O, C2H3O+ + C3H5O, C2H5+ + C3H3O2, C2H4+ + C3H4O2, respectively. The results of this work lead to a better understanding of photochemistry in the environment.

  6. Electrical transport in ethyl cellulose–chloranil system

    Indian Academy of Sciences (India)

    P K Khare; R K Pandey; P L Jain

    2000-08-01

    The charge-transport behaviour in pure and chloranil (Chl) doped ethyl cellulose (EC) system has been studied by measuring the dependence of current on field, temperature, electrode material and dopant concentration. The role of doping molecular concentration in the polymer matrix and modification in the conduction characteristics are studied. Lowering of the activation energy due to doping was observed. The current was found to increase with an increase in the chloranil concentration. An explanation for this has been attempted on the basis of formation of molecular aggregates between chloranil molecules and ethoxy groups of ethyl cellulose. It is suggested that chloranil occupies interstitial positions between the polymer chains and assists in carrier transportation by reducing the hopping barriers. The current–voltage characteristics of different samples are analyzed using space charge limited current theory and quantitative information about the transport parameters is derived. The values of effective drift mobility and trapped charge carrier concentration which result in the build up of space charge have been calculated.

  7. Effects of switching from omega-3-acid ethyl esters to icosapent ethyl in a statin-treated patient with elevated triglycerides.

    Science.gov (United States)

    Kedia, Anurag W; Lynch, Erin

    2015-01-01

    In patients with dyslipidemia, elevated triglyceride (TG) levels, or TG-rich lipoproteins, and cardiovascular risk may remain despite statin therapy. Prescription omega-3 fatty acid formulations containing the ethyl esters of eicosapentaenoic acid (EPA) plus docosahexaenoic acid (DHA) (omega-3-acid ethyl esters; Lovaza®) or high-purity EPA ethyl ester (icosapent ethyl; Vascepa®) are TG-lowering treatments that may be administered in addition to statins. Here we describe the effects of switching from omega-3-acid ethyl esters to icosapent ethyl in a 44-year-old obese man with dyslipidemia, hypertension, and hypothyroidism. The patient was receiving stable treatment with medications, including atorvastatin 40 mg/day and extended-release niacin 1000 mg/day. Owing to persistently elevated TG levels and other cardiovascular risk factors, the patient was initiated on omega-3-acid ethyl esters 4 g/day. After approximately 2 years on omega-3-acid ethyl esters, his total cholesterol (TC) level was 184 mg/dL, low-density lipoprotein cholesterol (LDL-C) level was 81 mg/dL, TG level was elevated at 307 mg/dL despite statin therapy, and non-high-density lipoprotein cholesterol (non-HDL-C) level was 144 mg/dL. After the switch to icosapent ethyl, TC level decreased by 34% to 121 mg/dL, LDL-C level decreased by 28% to 58 mg/dL, TG level decreased by 41% to 180 mg/dL, and non-HDL-C level decreased by 44% to 81 mg/dL. Switching from omega-3-acid ethyl esters containing both EPA and DHA to icosapent ethyl containing high-purity EPA resulted in beneficial and substantial changes in the lipid profile with a notable reduction of TG levels along with additional reductions in LDL-C levels in a statin-treated obese patient with persistently high TG levels. Treatment with icosapent ethyl was well tolerated.

  8. Characterization of a Hemoglobin Adduct from Ethyl Vinyl Ketone Detected in Human Blood Samples.

    Science.gov (United States)

    Carlsson, Henrik; Motwani, Hitesh V; Osterman Golkar, Siv; Törnqvist, Margareta

    2015-11-16

    Electrophiles have the ability to form adducts to nucleophilic sites in proteins and DNA. Internal exposure to such compounds thus constitutes a risk for toxic effects. Screening of adducts using mass spectrometric methods by adductomic approaches offers possibilities to detect unknown electrophiles present in tissues. Previously, we employed untargeted adductomics to detect 19 unknown adducts to N-terminal valine in hemoglobin (Hb) in human blood. This article describes the characterization of one of these adducts, which was identified as the adduct from ethyl vinyl ketone (EVK). The mean adduct level was 40 ± 12 pmol/g Hb in 12 human blood samples; adduct levels from acrylamide (AA) and methyl vinyl ketone (MVK) were quantified for comparison. Using l-valine p-nitroanilide (Val-pNA), introduced as a model of the N-terminal valine, the rate of formation of the EVK adduct was studied, and the rate constant determined to 200 M(-1)h(-1) at 37 °C. In blood, the reaction rate was too fast to be feasibly measured, EVK showing a half-life adduct was found to be unstable, with a half-life of 7.6 h. From the mean adduct level measured in human blood, a daily dose (area under the concentration-time-curve, AUC) of 7 nMh EVK was estimated. The AUC of AA from intake via food is about 20 times higher. EVK is naturally present in a wide range of foods and is also used as a food additive. Most probably, naturally formed EVK is a major source to observed adducts. Evaluation of available toxicological data and information on occurrence of EVK indicate that further studies of EVK are motivated. This study illustrates a quantitative strategy in the initial evaluation of the significance of an adduct detected through adduct screening.

  9. (E)-2-[1-(1-Benzothio-phen-2-yl)ethyl-idene]-N-phenyl-hydrazinecarboxamide.

    Science.gov (United States)

    Kayed, Safa'a Faris; Farina, Yang; Simpson, Jim; Baba, Ibrahim

    2011-10-01

    The title compound, C(17)H(15)N(3)OS, crystallizes with two unique mol-ecules, denoted 1 and 2, in the asymmetric unit. The two mol-ecules are closely similar and overlay with an r.m.s. deviation of 0.053 Å. Both mol-ecules adopt E configurations with respect to the C=N bonds. The dihedral angles between the benzothio-phene groups and N-bound phenyl rings are 36.36 (9)° for mol-ecule 1 and 29.71 (9)° for mol-ecule 2. The C=N-NH-C(O)NH ethyl-idene-hydrazinecarboxamide units are also reasonably planar, with r.m.s. deviations of 0.061 and 0.056 Å, respectively, for the two mol-ecules. The methyl substituents lie 0.338 (3) and 0.396 (3) Å, respectively, from these planes. The C=N-NH-C(O)NH planes are inclined to the phenyl rings at 13.65 (11) and 15.56 (11)°, respectively, in mol-ecules 1 and 2. This conformation is enhanced by weak intra-molecular C-H⋯O hydrogen bonds between ortho-H atoms of the two phenyl rings and the carbonyl O atoms, which generate S(6) rings in each mol-ecule. In the crystal, pairs of mol-ecules are linked by pairs of inter-molecular N-H⋯O hydrogen bonds into dimers. Alternating dimers are further inter-connected by weak C-H⋯O contacts into zigzag rows along b. The rows are stacked along a by C-H⋯π contacts involving the benzene ring from molecule 2 and the thiophene ring from molecule 1 of adjacent benzothio-phene units.

  10. Subchronic exposure to ethyl tertiary butyl ether resulting in genetic damage in Aldh2 knockout mice.

    Science.gov (United States)

    Weng, Zuquan; Suda, Megumi; Ohtani, Katsumi; Mei, Nan; Kawamoto, Toshihiro; Nakajima, Tamie; Wang, Rui-Sheng

    2013-09-15

    Ethyl tertiary butyl ether (ETBE) is biofuel additive recently used in Japan and some other countries. Limited evidence shows that ETBE has low toxicity. Acetaldehyde (AA), however, as one primary metabolite of ETBE, is clearly genotoxic and has been considered to be a potential carcinogen. The aim of this study was to evaluate the effects of ALDH2 gene on ETBE-induced genotoxicity and metabolism of its metabolites after inhalation exposure to ETBE. A group of wild-type (WT) and Aldh2 knockout (KO) C57BL/6 mice were exposed to 500ppm ETBE for 1-6h, and the blood concentrations of ETBE metabolites, including AA, tert-butyl alcohol and 2-methyl-1,2-propanediol, were measured. Another group of mice of WT and KO were exposed to 0, 500, 1750, or 5000ppm ETBE for 6h/day with 5 days per weeks for 13 weeks. Genotoxic effects of ETBE in these mice were measured by the alkaline comet assay, 8-hydroxyguanine DNA-glycosylase modified comet assay and micronucleus test. With short-term exposure to ETBE, the blood concentrations of all the three metabolites in KO mice were significantly higher than the corresponding concentrations of those in WT mice of both sexes. After subchronic exposure to ETBE, there was significant increase in DNA damage in a dose-dependent manner in KO male mice, while only 5000ppm exposure significantly increased DNA damage in male WT mice. Overall, there was a significant sex difference in genetic damage in both genetic types of mice. These results showed that ALDH2 is involved in the detoxification of ETBE and lack of enzyme activity may greatly increase the sensitivity to the genotoxic effects of ETBE, and male mice were more sensitive than females.

  11. Evaluation of CP sil 8 film thickness for the capillary GC analysis of methyl mercury

    DEFF Research Database (Denmark)

    Petersen, Jens Højslev; Drabæk, Iver

    1992-01-01

    Different commercially available CP-Sil 8 CB capillary columns have been tested with a mixed standard containing methyl mercury chloride, ethyl mercury chloride and a stable nonpolar chlorinated hydrocarbon. The aim of the study was to see whether the columns tested could be used without special...... available insert for on-column injections on wide bore columns, and a 5.35 mum thick stationary phase. It was concluded that this CP Sil 8 CB column gave good results although minor interactions between the organo-mercury compounds and the column could be seen....

  12. Ethyl 2-[1-(4-chlorophenyl-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate

    Directory of Open Access Journals (Sweden)

    Yang-Gen Hu

    2008-01-01

    Full Text Available The asymmetric unit of the title compound, C22H16ClN3O5, consists of two crystallographically independent molecules. The fused rings of the imidazo[1,2-a]benzo[4,5]furo[3,2-d]pyrimidine system are nearly coplanar and the chlorophenyl rings are twisted with respect to the two pyrimidinone ring systems by 71.00 (2 and 62.59 (2°. The C atoms of the ethyl side chain are disordered and were refined using a split model. In the crystal structure, the molecules are connected via weak intra- and intermolecular C—H...O interactions are present. The ethyl group in one molecule is disordered over two positions, with site occupancy factors 0.55 and 0.45; in the other molecule only the methyl group is disordered over two positions, with site occupancy factors 0.6 and 0.4.

  13. Cobalt(II Coordination Compounds of Ethyl 4-Methyl-5-Imidazolecarboxylate: Chemical and Biochemical Characterization on Photosynthesis and Seed Germination

    Directory of Open Access Journals (Sweden)

    Beatriz King-Díaz

    2005-01-01

    chloroplasts. Seed germination and seedling growth of the monocotyledonous species Lolium multiflorum and Triticum aestivum and the dicotyledonous species Trifolium alexandrinum and Physalis ixocarpa were also assayed under the effect of the compounds and salts. The results showed that cobalt(II salts and their emizco coordination compounds inhibit photosynthetic electron flow and ATP-synthesis, behaving as Hill reaction inhibitors. Coordination compounds are more potent inhibitors than the salts. It was found that the salts target is at the b6f level while the complexes targets are at QB(D1-protein and b6f level. The QB inhibition site was confirmed by variable chlorophyll a fluorescence yield. On the other hand, emizco inhibits seed germination, root and shoot development, in both weed and crop species. Cobalt(II coordination compounds are the most effective photosynthesis inhibitors, but they are less potent than emizco in germination and seedling growth, while the metal salts are the least active of all.

  14. The Combined Effect of Methyl- and Ethyl-Paraben on Lifespan and Preadult Development Period of Drosophila melanogaster (Diptera: Drosophilidae).

    Science.gov (United States)

    Chen, Qi; Pan, Chenguang; Li, Yajuan; Zhang, Min; Gu, Wei

    2016-01-01

    Parabens are widely used as preservative substances in foods, pharmaceuticals, industrial products, and cosmetics. But several studies have cautioned that parabens have estrogenic or endocrine-disrupting properties. Drosophila melanogaster is an ideal model in vivo to detect the toxic effects of chemistry. The study was designed to assess the potential additive toxic effects of methylparaben (MP) and ethylparaben (EP) mixture (MP + EP) on lifespan and preadult development period in D. melanogaster The data revealed that the MP + EP can reduce the longevity of flies compared with the control group, consistent with a significant reduction in malondialdehyde levels and an increase in superoxide dismutase activities. Furthermore, MP + EP may have a greater toxic effect on longevity of flies than separate using with the same concentration. Additionally, parabens had a nonmonotonic dose-response effect on D. melanogaster preadult development period, showing that MP + EP delayed preadult development period compared with control group while individual MP or EP significantly shortened (P melanogaster. © The Author 2016. Published by Oxford University Press on behalf of the Entomological Society of America.

  15. 10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl-10H-phenothiazine

    Directory of Open Access Journals (Sweden)

    Li-Cheng Sun

    2012-03-01

    Full Text Available In the title compound, C17H15N3OS, the phenothiazine ring system is slightly bent, with a dihedral angle of 13.68 (7° between the benzene rings. The dihedral angle between the oxadiazole ring and the adjacent benzene ring is 7.72 (7°. In the crystal, a π–π interaction with a centroid–centroid distance of 3.752 (2 Å is observed between the benzene rings of neighbouring molecules.

  16. POLLUTION PREVENTION DEMONSTRATION AND EVALUATION OF PAINT APPLICATION EQUIPMENT AND ALTERNATIVES TO METHYLENE CHLORIDE AND METHYL ETHYL KETONE

    Science.gov (United States)

    The report gives results of demonstrations of technologies to prevent or control emissions of hazardous air pollutant (HAPs) and volatile organic compounds (VOCs) from processes with high solvent usage: (1) paint stripping using methylene chloride, (2) cleaning paint equipment wi...

  17. Crystal structure of ethyl 4-(2-methoxyphenyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

    Directory of Open Access Journals (Sweden)

    Shaaban K. Mohamed

    2015-07-01

    Full Text Available In the title compound, C15H18N2O3S, the hydropyrimidine ring adopts a sofa conformation with the methine C atom as the flap. The benzene ring is almost perpendicular to the mean plane of the hydropyrimidine ring, making a dihedral angle of 85.51 (8°, and the methoxy O atom lies over the centre of the pyrimidine ring. In the crystal, weak N—H...S interactions form a zigzag chain running along the b-axis direction.

  18. Crystal structure of ethyl 2-({[(4Z-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}aminoacetate

    Directory of Open Access Journals (Sweden)

    Shaaban K. Mohamed

    2014-09-01

    Full Text Available The title compound, C14H15N3O4, is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7 Å, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C—N—C–C(=O—O; r.m.s. deviation = 0.024 Å] being 2.52 (7°. This is due in large part to the presence of the intramolecular N—H...O and C—H...O hydrogen bonds. In the crystal, pairwise N—H...O hydrogen bonds form inversion dimers, which are further associated into layers, lying very close to plane (-120, via pairwise C—H...O hydrogen bonds. The layers are then weakly connected through C—H...O hydrogen bonds, forming a three-dimensional structure.

  19. STUDIES ON MUTAGENIC EFFECTS OF GAMMA RAYS AND ETHYL METHYL SULFONATE ON M 1 GENERATION IN ADT 47 RICE

    Directory of Open Access Journals (Sweden)

    D.RAJARAJAN 1 , R.SARASWATHI 2 , D. SASSIKUMAR 3 AND S.K GANESH 4

    2015-01-01

    Full Text Available ABSTRACT: A study was conducted to assess the effects of physical mutagen gamma rays and  a  chemical  mutagen  EMS  on  rice  cultivar  ADT  (R  47  to  study  the morphological  variations  in  this  variety.  For  inducing  macro  and  micro mutations, the dose applied were 200Gy, 250Gy and 300Gy of gamma rays and 100mM,  120mM  and  140mM  of  EMS.  In  initial  evaluation  trial  (M 1 ,  the germination percentage, seedlings survival percentage, plant height on 30 th  day, pollen fertility, plant height at maturity, seed fertility showed a dose dependent reduction for both the mutagens. Among the various traits, seedling height on 30 th  day and the plant height at maturity exhibited less variation between the mutagens. KEY WORDS: Mutagenic effects, Gamma Rays, 47 Rice.

  20. Ethyl 4-(4-hydroxyphenyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate

    Directory of Open Access Journals (Sweden)

    Susanta K. Nayak

    2009-10-01

    Full Text Available In the title compound, C14H16N2O4·H2O, the dihedral angles between the planes of the 4-hydroxyphenyl and ester groups with the plane of the six-membered tetrahydropyrimidine ring are 87.3 (1 and 75.9 (1°, respectively. The crystal structure is stabilized by O—H...O and N—H...O hydrogen bonding between the water molecule and the organic functionalities.

  1. Ethyl 4-(1,3-benzodioxol-5-yl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

    Directory of Open Access Journals (Sweden)

    Susanta K. Nayak

    2011-11-01

    Full Text Available In the title compound, C15H16N2O4S, the dihedral angles between the planes of the benzodioxole and ester groups and the plane of the six-membered tetrahydropyrimidine ring are 89.5 (1 and 20.2 (1°, respectively. Intermolecular N—H...S hydrogen bonds assemble the molecules into dimers, which are further connected via N—H...O interactions into chains parallel to [010]. Weak C—H...S and C—H...π interactions enhance the stability of the crystal structure.

  2. Ethyl 4-(4-chlorophenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

    Directory of Open Access Journals (Sweden)

    Susanta K. Nayak

    2009-10-01

    Full Text Available In the title compound, C14H15ClN2O2S, the tetrahydropyrimidine ring adopts a twisted boat conformation with the carbonyl group in an s-trans conformation with respect to the C=C double bond of the six-membered tetrahydropyrimidine ring. The molecular conformation is determined by an intramolecular C—H...π interaction. The crystal structure is further stabilized by intermolecular N—H...O molecular chains and centrosymmetric N—H...S dimers.

  3. Ethyl 4-(4-hydroxyphenyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate

    Directory of Open Access Journals (Sweden)

    T. N. Guru Row

    2008-12-01

    Full Text Available There are three formula units in the asymmetric unit of the title compound, C14H16N2O4·H2O. Molecules are linked by N—H...O hydrogen bonds into dimers with the common R22(8 graph-set motif. Between dimers, single N—H...O hydrogen bonds are formed between the other N—H group of each pyrimidine ring and the hydroxyl groups. The water molecules accept O—H...O hydrogen bonds from the hydroxyl groups and donate hydrogen bonds to the ester groups.

  4. Ethyl 6-methyl-2-sulfanylidene-4-[4-(trifluoromethylphenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

    Directory of Open Access Journals (Sweden)

    Susanta K. Nayak

    2011-07-01

    Full Text Available The title compound, C15H15F3N2O2S, adopts a conformation with an intramolecular C—H...π interaction. The dihedral angles between the planes of the 4-(trifluoromethylphenyl and ester groups with the plane of the six-membered tetrahydropyrimidine ring are 81.8 (1 and 16.0 (1°, respectively. In the crystal structure, intermolecular N—H...S hydrogen bonds link pairs of molecules into dimers and N—H...O interactions generate hydrogen-bonded molecular chains along the crystallographic a axis.

  5. Macroscopic Expressions of Molecular Adiabatic Compressibility of Methyl and Ethyl Caprate under High Pressure and High Temperature

    Directory of Open Access Journals (Sweden)

    Fuxi Shi

    2014-01-01

    Full Text Available The molecular compressibility, which is a macroscopic quantity to reveal the microcompressibility by additivity of molecular constitutions, is considered as a fixed value for specific organic liquids. In this study, we introduced two calculated expressions of molecular adiabatic compressibility to demonstrate its pressure and temperature dependency. The first one was developed from Wada’s constant expression based on experimental data of density and sound velocity. Secondly, by introducing the 2D fitting expressions and their partial derivative of pressure and temperature, molecular compressibility dependency was analyzed further, and a 3D fitting expression was obtained from the calculated data of the first one. The third was derived with introducing the pressure and temperature correction factors based on analogy to Lennard-Jones potential function and energy equipartition theorem. In wide range of temperatures (293

  6. Crystal Structure and Antitumor Activity of Tri[2- [N-(4′-methyl-benzylsulfonyl)amino]ethyl]-amine

    Institute of Scientific and Technical Information of China (English)

    台夕市; 尹显洪; 谭民裕; 李一志

    2003-01-01

    The crystal structure of the title compound (C27H38N4O7S3, Mr = 626.79) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group Pīwith a = 9.411(1), b = 11.645(2), c = 14.672(2) (A。), α = 91.80(1), β = 95.36(1), γ =104.56(1)o, V = 1547.0 (A。)3, Z = 2, Dc = 1.346 g/cm3, λ = 0.71073 (A。), μ(MoKα) = 0.289 mm-1 and F(000) = 664. The structure was refined to R = 0.0406 and wR = 0.1177 for 4103 observed reflections with I > 2σ(I). X-ray diffraction analysis reveals that the title compound is a practically distorted tetrahedron and each molecule contains one lattice H2O by hydrogen bond. The antitumor activity of the title compound against HL-60 human leukemia cells has also been studied by MTT method.

  7. Biodegradation of 2-methyl, 2-ethyl, and 2-hydroxypyridine by an Arthrobacter sp. isolated from subsurface sediment.

    Science.gov (United States)

    O'Loughlin, E J; Sims, G K; Traina, S J

    1999-04-01

    A bacterium capable of degrading 2-methylpyridine was isolated by enrichment techniques from subsurface sediments collected from an aquifer located at an industrial site that had been contaminated with pyridine and pyridine derivatives. The isolate, identified as an Arthrobacter sp., was capable of utilizing 2-methylpyridine, 2-ethylpyridine, and 2-hydroxypyridine as primary C, N, and energy sources. The isolate was also able to utilize 2-, 3-, and 4-hydroxybenzoate, gentisic acid, protocatechuic acid and catechol, suggesting that it possesses a number of enzymatic pathways for the degradation of aromatic compounds. Degradation of 2-methylpyridine, 2-ethylpyridine, and 2-hydroxypyridine was accompanied by growth of the isolate and release of ammonium into the medium. Degradation of 2-methylpyridine was accompanied by overproduction of riboflavin. A soluble blue pigment was produced by the isolate during the degradation of 2-hydroxypyridine, and may be related to the diazadiphenoquinones reportedly produced by other Arthrobacter spp. when grown on 2-hydroxypyridine. When provided with 2-methylpyridine, 2-ethylpyridine, and 2-hydroxypyridine simultaneously, 2-hydroxypyridine was rapidly and preferentially degraded; however there was no apparent biodegradation of either 2-methylpyridine or 2-ethylpyridine until after a seven day lag. The data suggest that there are differences between the pathway for 2-hydroxypyridine degradation and the pathways(s) for 2-methylpyridine and 2-ethylpyridine.

  8. 1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone.

    Science.gov (United States)

    Malinkin, Sergey; Penkova, Larysa; Pavlenko, Vadim A; Haukka, Matti; Pavlova, Svetlana V

    2011-10-01

    In the title compound, C(8)H(11)N(3)O(2), the oxime and the acetyl groups adopt a transoid conformation, while the pyrazole H atom is localized in the proximity of the acetyl group and is cis with respect to the acetyl O atom. In the crystal, dimers are formed as the result of hydrogen-bonding inter-actions involving the pyrazole NH group of one mol-ecule and the carbonyl O atom of another. The dimers are associated into sheets via O-H⋯N hydrogen bonds involving the oxime hydroxyl and the unprotonated pyrazole N atom, generating a macrocyclic motif with six mol-ecules.

  9. Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate

    Science.gov (United States)

    Chandra, Srikantamurthy, N.; Babu, E. A. Jithesh; Umesha, K. B.; Mahendra, M.

    2014-04-01

    The title compound, C19H18N2O2, was investigated by single crystal X-ray diffraction method. It crystallizes in monoclinic class under the space group P21/c with cell parameters a= 8.4593(4) Å, b=15.6284(6) Å, c=12.4579(5) Å, α=90°, β=98.241(3)°, γ=90° and Z=2. The ethoxycarbonyl group is slightly twisted from the pyrazole ring, and adopts syn-periplanar conformation. The crystal structure is stabilized by intermolecular C-H….O hydrogen bonds, which help in stabilizing the crystal structure.

  10. Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate

    Energy Technology Data Exchange (ETDEWEB)

    Chandra,; Babu, E. A. Jithesh; Mahendra, M., E-mail: mahendra@physics.uni-mysore.ac.in [Department of Studies in Physics, Manasagangotri, University of Mysore, Mysore-570006 (India); Srikantamurthy, N.; Umesha, K. B. [Department of Chemistry, Yuvaraja' s College, University of Mysore, Mysore-570005 (India)

    2014-04-24

    The title compound, C{sub 19}H{sub 18}N{sub 2}O{sub 2}, was investigated by single crystal X-ray diffraction method. It crystallizes in monoclinic class under the space group P2{sub 1}/c with cell parameters a= 8.4593(4) Å, b=15.6284(6) Å, c=12.4579(5) Å, α=90°, β=98.241(3)°, γ=90° and Z=2. The ethoxycarbonyl group is slightly twisted from the pyrazole ring, and adopts syn-periplanar conformation. The crystal structure is stabilized by intermolecular C-H….O hydrogen bonds, which help in stabilizing the crystal structure.

  11. Ethyl 4-(4-chlorophenyl-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate

    Directory of Open Access Journals (Sweden)

    Joel T. Mague

    2016-04-01

    Full Text Available In the title compound, C16H13ClN2O2S, the dihedral angle between the 4-chlorophenyl ring and the pyridine ring is 63.53 (6°. There is an intramolecular C—H...O contact present. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers. The dimers are linked by C—H...O and C—H...N hydrogen bonds, forming slabs parallel to the ab plane.

  12. 均相催化合成碳酸甲乙酯%Synthesis of Ethyl Methyl Carbonate by Homogeneous Catalysis

    Institute of Scientific and Technical Information of China (English)

    卓广澜; 沈振陆; 姜玄珍

    2004-01-01

    利用碳酸二甲酯和碳酸二乙酯进行酯交换反应制备了碳酸甲乙酯,并考察了Ti(OBu)4,Ti(OPh)4,Bu2SnO和BuSnCl3在这一反应中的催化性能. 结果表明,这些催化剂对该反应都有较好的催化性能. 其中,Bu2SnO的催化性能最好,在103 ℃下反应3 h时,碳酸甲乙酯的收率可达45.6%. 提出了Bu2SnO催化剂对碳酸二甲酯与碳酯二乙酯酯交换反应的可能机理

  13. DNA methylation in metabolic disorders

    DEFF Research Database (Denmark)

    Barres, Romain; Zierath, Juleen R

    2011-01-01

    DNA methylation is a major epigenetic modification that controls gene expression in physiologic and pathologic states. Metabolic diseases such as diabetes and obesity are associated with profound alterations in gene expression that are caused by genetic and environmental factors. Recent reports...... have provided evidence that environmental factors at all ages could modify DNA methylation in somatic tissues, which suggests that DNA methylation is a more dynamic process than previously appreciated. Because of the importance of lifestyle factors in metabolic disorders, DNA methylation provides...... a mechanism by which environmental factors, including diet and exercise, can modify genetic predisposition to disease. This article considers the current evidence that defines a role for DNA methylation in metabolic disorders....

  14. DNA Methylation in Schizophrenia.

    Science.gov (United States)

    Pries, Lotta-Katrin; Gülöksüz, Sinan; Kenis, Gunter

    2017-01-01

    Schizophrenia is a highly heritable psychiatric condition that displays a complex phenotype. A multitude of genetic susceptibility loci have now been identified, but these fail to explain the high heritability estimates of schizophrenia. In addition, epidemiologically relevant environmental risk factors for schizophrenia may lead to permanent changes in brain function. In conjunction with genetic liability, these environmental risk factors-likely through epigenetic mechanisms-may give rise to schizophrenia, a clinical syndrome characterized by florid psychotic symptoms and moderate to severe cognitive impairment. These pathophysiological features point to the involvement of epigenetic processes. Recently, a wave of studies examining aberrant DNA modifications in schizophrenia was published. This chapter aims to comprehensively review the current findings, from both candidate gene studies and genome-wide approaches, on DNA methylation changes in schizophrenia.

  15. 40 CFR 721.538 - Phenol, 4-(1,1-dimethyl- ethyl)-, homopolymer.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Phenol, 4-(1,1-dimethyl- ethyl... Specific Chemical Substances § 721.538 Phenol, 4-(1,1-dimethyl- ethyl)-, homopolymer. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as phenol,...

  16. Differential susceptibility of rats and guinea pigs to the ototoxic effects of ethyl benzene

    NARCIS (Netherlands)

    Cappaert, NLM; Klis, SFL; Muijser, H; Kulig, BM; Ravensberg, LC; Smoorenburg, GF

    2002-01-01

    The present study was designed to compare the ototoxic effects of volatile ethyl benzene in guinea pigs and rats. Rats showed deteriorated auditory thresholds in the mid-frequency range, based on electrocochleography, after 550-ppm ethyl benzene (8 h/day, 5 days). Outer hair cell (OHC) loss was foun

  17. 40 CFR 180.212 - S-Ethyl cyclohexylethylthio-carbamate; tolerances for residues.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false S-Ethyl cyclohexylethylthio-carbamate; tolerances for residues. 180.212 Section 180.212 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Tolerances § 180.212 S-Ethyl cyclohexylethylthio-carbamate; tolerances for residues. (a) General. Tolerances...

  18. Application of substituted 2-(trimethylsilyl)ethyl esters to suppress diketopiperazine formation

    NARCIS (Netherlands)

    Borsuk, K.; Delft, F.L. van; Eggen, I.F.; Kortenaar, P.B.W. ten; Petersen, A.; Rutjes, F.P.J.T.

    2004-01-01

    The use of differently substituted 2-(trimethylsilyl)ethyl esters for C-terminal protection in peptide synthesis has been investigated. While the use of the unsubstituted 2-(trimethylsilyl)ethyl ester resulted in a substantial amount of diketopiperazine at the dipeptide stage, use of the correspondi

  19. 46 CFR 151.50-40 - Additional requirements for carbon disulfide (carbon bisulfide) and ethyl ether.

    Science.gov (United States)

    2010-10-01

    ... bisulfide) and ethyl ether. 151.50-40 Section 151.50-40 Shipping COAST GUARD, DEPARTMENT OF HOMELAND... disulfide (carbon bisulfide) and § 151.50-42 for ethyl ether shall also be observed. ... Special Requirements § 151.50-40 Additional requirements for carbon disulfide (carbon bisulfide) and...

  20. DNA methylation and carcinogenesis.

    Science.gov (United States)

    Lichtenstein, A V; Kisseljova, N P

    2001-03-01

    In the world of easy things truth is opposed to lie; in the world of complicated things one profound truth is opposed to another not less profound than the first. Neils Bohr The hypothesis of the exclusively genetic origin of cancer ("cancer is a disease of genes, a tumor without any damage to the genome does not exist") dominated in the oncology until recently. A considerable amount of data confirming this hypothesis was accumulated during the last quarter of the last century. It was demonstrated that the accumulation of damage of specific genes lies at the origin of a tumor and its following progression. The damage gives rise to structural changes in the respective proteins and, consequently, to inappropriate mitogenic stimulation of cells (activation of oncogenes) or to the inactivation of tumor suppressor genes that inhibit cell division, or to the combination of both (in most cases). According to an alternative (epigenetic) hypothesis that was extremely unpopular until recently, a tumor is caused not by a gene damage, but by an inappropriate function of genes ("cancer is a disease of gene regulation and differentiation"). However, recent studies led to the convergence of these hypotheses that initially seemed to be contradictory. It was established that both factors--genetic and epigenetic--lie at the origin of carcinogenesis. The relative contribution of each varies significantly in different human tumors. Suppressor genes and genes of repair are inactivated in tumors due to their damage or methylation of their promoters (in the latter case an "epimutation", an epigenetic equivalent of a mutation, occurs, producing the same functional consequences). It is becoming evident that not only the mutagens, but various factors influencing cell metabolism, notably methylation, should be considered as carcinogens.

  1. Ethyl 2-(4-nitrobenzamidobenzoate, a non-merohedral twin

    Directory of Open Access Journals (Sweden)

    Sohail Saeed

    2011-02-01

    Full Text Available In the title compound, C16H14N2O5, a non-merohedral twin, the dihedral angle between the mean planes of the two benzene rings is 4.0 (9°. The ethyl group is disordered [0.643 (14 and 0.357 (14 occupancy]. The nitro group is twisted by 16.4 (4° from the mean plane of the benzene ring and the mean plane of the carbonyl group is twisted from the mean planes of the two benzene rings by 4.5 (0 and 4.7 (9°. An intramolecular N—H...O hydrogen bond occurs. The crystal packing is stabilized by weak intermolecular C—H...O hydrogen-bond interactions.

  2. High-temperature unimolecular decomposition of ethyl propionate

    Science.gov (United States)

    Giri, Binod Raj; AlAbbad, Mohammed; Farooq, Aamir

    2016-11-01

    This work reports rate coefficients of the thermal unimolecular decomposition reaction of ethyl propionate (EP) behind reflected shock waves over the temperature range of 976-1300 K and pressures of 825-1875 Torr. The reaction progress was monitored by detecting C2H4 near 10.532 μm using CO2 gas laser absorption. In addition, G3//MP2/aug-cc-pVDZ and master equation calculations were performed to assess the pressure- and temperature-dependence of the reaction. Our calculations revealed that C2H4 elimination occurs via a six-centered retro-ene transition state. Our measured rate data are close to the high-pressure limit and showed no discernable temperature fall off.

  3. Ethyl esters versus fermentative organoleptic defects in virgin olive oil.

    Science.gov (United States)

    Di Serio, Maria Gabriella; Giansante, Lucia; Di Loreto, Giuseppina; Faberi, Angelo; Ricchetti, Lorenzo; Di Giacinto, Luciana

    2017-03-15

    The quality and genuineness of extra-virgin olive oils (EVOOs) were assessed following the methods and parameters of EU Commission Regulation N° 2568/91/EEC and subsequent modifications, which also set specific limits for fatty-acid ethyl esters (FAEEs). This study included a subset of EVOOs from among 399 samples analysed as part of a monitoring study for FAEEs in EVOOs. The subset was subjected to statistical evaluation to quantify the relationships between FAEE content and sensory defects associated with fermentation: fusty/muddy sediment, musty/humid/earthy, and winey/vinegary. The use of multiple regression analysis demonstrates that FAEE content can be inferred as a function of the intensity of organoleptic defects for samples with high alkyl esters content. The intensity of the rancid defect negatively influences the accuracy of this model, because of underestimation of the fermentation defects that are also present. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. High-temperature unimolecular decomposition of ethyl propionate

    KAUST Repository

    Giri, Binod Raj

    2016-10-09

    This work reports rate coefficients of the thermal unimolecular decomposition reaction of ethyl propionate (EP) behind reflected shock waves over the temperature range of 976–1300 K and pressures of 825–1875 Torr. The reaction progress was monitored by detecting CH near 10.532 μm using CO gas laser absorption. In addition, G3//MP2/aug-cc-pVDZ and master equation calculations were performed to assess the pressure- and temperature-dependence of the reaction. Our calculations revealed that CH elimination occurs via a six-centered retro-ene transition state. Our measured rate data are close to the high-pressure limit and showed no discernable temperature fall off.

  5. Response Surface Methodology Approach for the Synthesis of Ethyl Butyrate

    Directory of Open Access Journals (Sweden)

    Vitor Cardoso Aragão

    2011-01-01

    Full Text Available Response surface methodology was used to determine optimum conditions for the esterification of ethanol and butyric acid to produce a flavour ester using immobilized lipase. Various reaction parameters including butyric acid concentration, enzyme concentration, temperature and ethanol/butyric acid molar ratio affecting ethyl butyrate production were investigated using a fractional factorial design 24–1. Based on the results from the first factorial design, all of the variables which were significant in the process were selected to be used in a 24 central composite rotatable design (CCRD. The optimum conditions for the enzymatic reaction were obtained at a 90 mM butyric acid concentration using a 7.7 g/L enzyme concentration at 45 °C and the ethanol/butyric acid molar ratio of 1:1 for 3 h. The esterification percentage, under these conditions, was 87 %.

  6. Mouse Mutagenesis Using N-Ethyl-N-Nitrosourea (ENU).

    Science.gov (United States)

    Salinger, Andrew P; Justice, Monica J

    2008-04-01

    INTRODUCTIONThis protocol describes chemical mutagenesis of male mice using N-ethyl-N-nitrosourea (ENU), which is the most efficient method for obtaining mouse mutations in phenotype-driven screens. A fractionated dose of ENU, an alkylating agent, can produce a mutation rate as high as 1.5 × 10(-3) in male mouse spermatogonial stem cells. Treatment with ENU produces point mutations that provide a unique mutant resource: They reflect the consequences of single gene changes independent of position effects, provide a fine structure dissection of protein function, display a range of mutant effects from complete or partial loss of function to exaggerated function, and discover gene functions in an unbiased manner. After treatment with ENU, mice are mated in genetic screens designed to uncover mutations of interest. Screens for dominant, recessive, and modifying mutations can be performed.

  7. The uptake of ethyl iodide on black carbon surface

    Institute of Scientific and Technical Information of China (English)

    YIN Shi; WANG WeiGang; GE MaoFa

    2008-01-01

    The importance of the iodine chemistry in the atmosphere has been demonstrated by recent observations. The uptake of ethyl iodine on black carbon surface was investigated at 298 K for the first time. Degussa FW2 (an amorphous black carbon comprising medium oxides) was used as black carbon sample. Black carbon surface was found to be deactivated in reaction with C2H5I, and the uptake coefficient (γ) was dependent on the time of exposure. The value of (2.3±0.9)×10-2 was determined for the initial uptake coefficient (γ0). The result suggests that the heterogeneous loss of C2H5I on carbonaceous aerosols may be important under the atmospheric conditions.

  8. DNA Methylation in Thyroid Tumorigenesis

    Energy Technology Data Exchange (ETDEWEB)

    Stephen, Josena K., E-mail: jstephe2@hfhs.org [Department of Otolaryngology/Head and Neck Surgery, Henry Ford Hospital, Detroit, MI 48202 (United States); Chitale, Dhananjay [Department of Pathology, Henry Ford Hospital, Detroit, MI 48202 (United States); Narra, Vinod [Essex Surgical Associates, PC, Beverly, MA 01915 (United States); Chen, Kang Mei; Sawhney, Raja; Worsham, Maria J. [Department of Otolaryngology/Head and Neck Surgery, Henry Ford Hospital, Detroit, MI 48202 (United States)

    2011-03-29

    Thyroid cancer is the most common endocrine cancer with 1,690 deaths each year. There are four main types of which the papillary and follicular types together account for >90% followed by medullary cancers with 3% to 5% and anaplastic carcinomas making up <3%. Epigenetic events of DNA hypermethylation are emerging as promising molecular targets for cancer detection. Our immediate and long term goal is to identify DNA methylation markers for early detection of thyroid cancer. This pilot study comprised of 21 patients to include 11 papillary thyroid cancers (PTC), 2 follicular thyroid cancers (FTC), 5 normal thyroid cases, and 3 hyperthyroid cases. Aberrant promoter methylation was examined in 24 tumor suppressor genes using the methylation specific multiplex ligation-dependent probe amplification (MS-MLPA) assay and in the NIS gene using methylation-specific PCR (MSP). The frequently methylated genes were CASP8 (17/21), RASSF1 (16/21) and NIS (9/21). In the normal samples, CASP8, RASSF1 and NIS were methylated in 5/5, 4/5 and 1/5 respectively. In the hyperthyroid samples, CASP8, RASSF1 and NIS were methylated in 3/3, 2/3 and 1/3 respectively. In the thyroid cancers, CASP8, RASSF1, and NIS were methylated in 9/13, 10/13, and 7/13 respectively. CASP8, RASSF1 and NIS were also methylated in concurrently present normal thyroid tissue in 3/11, 4/11 and 3/11 matched thyroid cancer cases (matched for presence of both normal thyroid tissue and thyroid cancer), respectively. Our data suggests that aberrant methylation of CASP8, RASSF1, and NIS maybe an early change in thyroid tumorigenesis regardless of cell type.

  9. Biomonitoring of N-ethyl-2-pyrrolidone in automobile varnishers.

    Science.gov (United States)

    Koslitz, Stephan; Meier, Swetlana; Schindler, Birgit Karin; Weiss, Tobias; Koch, Holger Martin; Brüning, Thomas; Käfferlein, Heiko Udo

    2014-12-01

    N-alkyl-2-pyrrolidones are important organic solvents for varnishes in industry. This study investigates exposure to N-ethyl-2-pyrrolidone (NEP) in varnishing of hard plastic components in an automobile plant. Two specific biomarkers of exposure, 5-hydroxy-N-ethyl-2-pyrrolidone (5-HNEP) and 2-hydroxy-N-ethylsuccinimide (2-HESI), were analyzed in urine samples of 14 workers. For this purpose, pre-shift, post-shift and next day pre-shift urine samples were collected midweek. Twelve workers performed regular work tasks (loading, wiping and packing), whereas two workers performed special work tasks including cleaning the sprayer system with organic solvents containing N-alkyl-2-pyrrolidones. Spot urine samples of nine non-exposed persons of the same plant served as controls. Median post-shift urinary levels of workers with regular work tasks (5-HNEP: 0.15 mg/L; 2-HESI: 0.19 mg/L) were ∼5-fold higher compared to the controls (0.03 mg/L each). Continuously increasing metabolite levels, from pre-shift via post-shift to pre-shift samples of the following day, were observed in particular for the two workers with the special working tasks. Maximum levels were 31.01 mg/L (5-HNEP) and 8.45 mg/L (2-HESI). No clear trend was evident for workers with regular working tasks. In summary, we were able to show that workers can be exposed to NEP during varnishing tasks in the automobile industry.

  10. Icosapent ethyl for the treatment of severe hypertriglyceridemia

    Directory of Open Access Journals (Sweden)

    Fares H

    2014-06-01

    Full Text Available Hassan Fares,1 Carl J Lavie,2,3 James J DiNicolantonio,4 James H O'Keefe,5 Richard V Milani2 1Department of Hospital Medicine, Ochsner Medical Center, New Orleans, LA, 2Department of Cardiovascular Diseases, John Ochsner Heart and Vascular Institute, Ochsner Clinical School, University of Queensland School of Medicine, New Orleans, LA, 3Department of Preventive Medicine, Pennington Biomedical Research Center, Louisiana State University System, Baton Rouge, LA, 4Mid America Heart Institute at Saint Luke's Hospital, Kansas City, MO, 5Mid America Heart Institute, University of Missouri–Kansas City, Kansas City, MO, USA Abstract: Hypertriglyceridemia is a highly prevalent lipid abnormality and it is associated with atherosclerosis, with a growing body of evidence linking elevated triglycerides (TGs with cardiovascular disease. The current major omega-3 polyunsaturated fatty acids, eicosapentaenoic acid (EPA/docosahexaenoic acid (DHA combination, lowers serum TGs while often increasing levels of low-density lipoprotein cholesterol. Icosapent ethyl is an omega-3 polyunsaturated fatty acid with a 96% pure ethyl ester of EPA that has been recently approved for lowering TG levels in patients with very high TGs (≥500 mg/dL, and it does so without significantly affecting serum low-density lipoprotein cholesterol. The potential benefits of omega-3 fatty acid therapy for dyslipidemias will be discussed, including the potential pros and cons of EPA alone versus the more common and readily available EPA/DHA combination therapy. Keywords: triglycerides, low-density lipoprotein, eicosapentaenoic acid, docosahexaenoic acid

  11. High-yield synthesis of bioactive ethyl cinnamate by enzymatic esterification of cinnamic acid.

    Science.gov (United States)

    Wang, Yun; Zhang, Dong-Hao; Zhang, Jiang-Yan; Chen, Na; Zhi, Gao-Ying

    2016-01-01

    In this paper, Lipozyme TLIM-catalyzed synthesis of ethyl cinnamate through esterification of cinnamic acid with ethanol was studied. In order to increase the yield of ethyl cinnamate, several media, including acetone, isooctane, DMSO and solvent-free medium, were investigated in this reaction. The reaction showed a high yield by using isooctane as reaction medium, which was found to be much higher than the yields reported previously. Furthermore, several parameters such as shaking rate, water activity, reaction temperature, substrate molar ratio and enzyme loading had important influences on this reaction. For instance, when temperature increased from 10 to 50 °C, the initial reaction rate increased by 18 times and the yield of ethyl cinnamate increased by 6.2 times. Under the optimum conditions, lipase-catalyzed synthesis of ethyl cinnamate gave a maximum yield of 99%, which was of general interest for developing industrial processes for the preparation of ethyl cinnamate.

  12. Lipase-mediated conversion of vegetable oils into biodiesel using ethyl acetate as acyl acceptor

    Energy Technology Data Exchange (ETDEWEB)

    Modi, M.K.; Reddy, J.R.C.; Rao, B.V.S.K.; Prasad, R.B.N. [Indian Institute of Chemical Technology, Hyderabad (India). Division of Lipid Science and Technology

    2007-04-15

    Ethyl acetate was explored as an acyl acceptor for immobilized lipase-catalyzed preparation of biodiesel from the crude oils of Jatropha curcas (jatropha), Pongamia pinnata (karanj) and Helianthus annus (sunflower). The optimum reaction conditions for interesterification of the oils with ethyl acetate were 10% of Novozym-435 (immobilized Candida antarctica lipase B) based on oil weight, ethyl acetate to oil molar ratio of 11:1 and the reaction period of 12 h at 50 {sup o}C. The maximum yield of ethyl esters was 91.3%, 90% and 92.7% with crude jatropha, karanj and sunflower oils, respectively under the above optimum conditions. Reusability of the lipase over repeated cycles interesterification and ethanolysis was also investigated under standard reaction conditions. The relative activity of lipase could be well maintained over twelve repeated cycles with ethyl acetate while it reached to zero by 6th cycle when ethanol was used as an acyl acceptor. (author)

  13. On the chemical ladder of esters. Detection and formation of ethyl formate in the W51 e2 hot molecular core

    Science.gov (United States)

    Rivilla, V. M.; Beltrán, M. T.; Martín-Pintado, J.; Fontani, F.; Caselli, P.; Cesaroni, R.

    2017-02-01

    Context. In recent years, the detection of organic molecules with increasing complexity and potential biological relevance is opening the possibility to understand the formation of the building blocks of life in the interstellar medium. One of the families of molecules of substantial astrobiological interest are the esters. The simplest ester, methyl formate (CH3OCHO), is rather abundant in star-forming regions. The next step in the chemical complexity of esters is ethyl formate, C2H5OCHO. Despite the increase in sensitivity of current telescopes, the detection of complex molecules with more than ten atoms such as C2H5OCHO is still a challenge. Only two detections of this species have been reported so far, which strongly limits our understanding of how complex molecules are formed in the interstellar medium. New detections towards additional sources with a wide range of physical conditions are crucial to differentiate between competing chemical models based on dust grain surface and gas-phase chemistry. Aims: We have searched for ethyl formate towards the W51 e2 hot molecular core, one of the most chemically rich sources in the Galaxy and one of the most promising regions to study prebiotic chemistry, especially after the recent discovery of the P-O bond, key in the formation of DNA. Methods: We have analyzed a spectral line survey towards the W51 e2 hot molecular core, which covers 44 GHz in the 1, 2 and 3 mm bands, carried out with the IRAM 30 m telescope. Results: We report the detection of the trans and gauche conformers of ethyl formate. A local thermodynamic equilibrium analysis indicates that the excitation temperature is 78 ± 10 K and that the two conformers have similar source-averaged column densities of (2.0 ± 0.3) × 10-16 cm-2 and an abundance of 10-8. We compare for the first time the observed molecular abundances of ethyl formate with different competing chemical models based on grain surface and gas-phase chemistry. Conclusions: We propose that

  14. Relationship between repair processes and mutation induction in bacteria. [UV radiation; methyl methanesulfonate; N-methyl-N/sup 1/-nitro-N-nitrosoguanidine; N-methyl-N-nitrosourea; N-ethyl-N-nitrosourea; ethyl methanesulfanate; N-ethyl-nitrosoguanidine; 4-nitroquinoline 1-oxide

    Energy Technology Data Exchange (ETDEWEB)

    Kimball, R F

    1979-01-01

    The main repair and replication-associated processes that can influence the induction of mutations by various mutagens in bacteria are reviewed. These include both constitutive and induced, error-free and error-prone systems. The mutation yield from a treatment with a mutagen can be markedly affected by which of these systems is operating in a given bacterial species or strain. The effect of these systems on mutation induction by ultraviolet light, monofunctional alkylating agents, base analogues, and frameshift mutagens is discussed in some detail. The bearing of these studies on the practical problems of estimating hazards is briefly considered. 79 references.

  15. 9-Hydroxyfurodysinin-O-ethyl Lactone: A New Sesquiterpene Isolated from the Tropical Marine Sponge Dysidea arenaria

    Directory of Open Access Journals (Sweden)

    P. Karuso

    2005-10-01

    Full Text Available A new sesquiterpene, 9-hydroxyfurodysinin-O-ethyl lactone, has been isolated from a New Caledonian Dysidea arenaria, along with three known compounds. The possible incorporation of the ethyl ether from the extraction solvent is discussed.

  16. Biomarkers of the alcohol hangover state: Ethyl glucuronide (EtG) and ethyl sulfate (EtS).

    Science.gov (United States)

    Mackus, Marlou; van de Loo, Aurora J A E; Raasveld, S Jorinde; Hogewoning, Anna; Sastre Toraño, Javier; Flesch, Frits M; Korte-Bouws, Gerdien A H; van Neer, Renier H P; Wang, Xiaochun; Nguyen, Thomas T; Brookhuis, Karel A; Kraneveld, Aletta D; Garssen, Johan; Verster, Joris C

    2017-09-01

    The aim of this study was to investigate the usefulness of ethyl glucuronide (EtG) and ethyl sulfate (EtS) as biomarkers of the hangover state. Thirty-sixhealthy social drinkers participated in this study, being of naturalistic design. Eighteen participants experience regular hangovers (the hangover group), whereas the other 18 claim to not experience a hangover (the hangover-immune group). On a control day (alcohol-free) day and a post-alcohol day, urine EtG and EtS concentrations were determined and hangover severity assessed. Urinary EtG and EtS concentrations were significantly increased on post-alcohol day compared to the control day (p = .0001). Both EtG and EtS concentrations did not significantly correlate with the overall hangover score, nor with the estimated peak blood alcohol concentrations and number of alcoholic drinks. EtG correlated significantly only with the individual hangover symptom "headache" (p = .033; r = .403). No significant correlations were found with the EtG to EtS ratio. EtG and EtS concentrations significantly correlated with urine ethanol concentrations. Although urine EtG and EtS concentration did not significantly correlate to estimated peak blood alcohol concentrations or the number of alcoholic drinks consumed, a significant correlation was found with urine ethanol concentration. However, urine EtG and EtS concentrations did not significantly correlate with overall hangover severity. © 2017 The Authors. Human Psychopharmacology: Clinical & Experimental Published by John Wiley & Sons Ltd.

  17. Transesterification of propylene glycol methyl ether in chromatographic reactors using anion exchange resin as a catalyst.

    Science.gov (United States)

    Oh, Jungmin; Sreedhar, Balamurali; Donaldson, Megan E; Frank, Timothy C; Schultz, Alfred K; Bommarius, Andreas S; Kawajiri, Yoshiaki

    2016-09-30

    Reactive chromatography using an anion exchange resin is proposed for a transesterification reaction of propylene glycol methyl ether (DOWANOL™ PM) with ethyl acetate to produce propylene glycol methyl ether acetate (DOWANOL™ PMA). This reaction is studied in batch and chromatographic reactors catalyzed by an anion exchange resin. Several anion exchange resins are tested and compared based on the performance of resin as an adsorbent and a catalyst. A chromatographic column is packed with a selected catalyst, AMBERLITE™ IRA904, and both reaction and chromatographic elution are studied at different temperatures and feed concentrations. The resulting chromatograms are fitted to a mathematical model to obtain adsorption equilibrium and reaction kinetic parameters by the inverse method. Compared to esterification investigated in a previous study, transesterification has advantages such as a higher conversion at lower temperature and easy removal of the byproduct which may lead to higher productivity. Deactivation of anion exchange resins is observed and potential solutions are suggested.

  18. Methylation-Specific PCR Unraveled

    Directory of Open Access Journals (Sweden)

    Sarah Derks

    2004-01-01

    Full Text Available Methylation‐specific PCR (MSP is a simple, quick and cost‐effective method to analyze the DNA methylation status of virtually any group of CpG sites within a CpG island. The technique comprises two parts: (1 sodium bisulfite conversion of unmethylated cytosine's to uracil under conditions whereby methylated cytosines remains unchanged and (2 detection of the bisulfite induced sequence differences by PCR using specific primer sets for both unmethylated and methylated DNA. This review discusses the critical parameters of MSP and presents an overview of the available MSP variants and the (clinical applications.

  19. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Science.gov (United States)

    2010-07-01

    ...-dimethylcyclohexyl)ethyl ester. 721.10074 Section 721.10074 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10074 Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester. (a... acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester (PMN P-05-568; CAS No. 477218-59-0)...

  20. 40 CFR 721.1950 - 2-Butenedioic acid (Z), mono(2-((1-oxopropenyloxy)ethyl) ester .

    Science.gov (United States)

    2010-07-01

    ...-oxopropenyloxy)ethyl) ester . 721.1950 Section 721.1950 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.1950 2-Butenedioic acid (Z), mono(2-((1-oxopropenyloxy)ethyl) ester . (a... 2-butenedioic acid (Z), mono(2-((1-oxopropenyloxy)ethyl) ester (PMN P-85-543) is subject...

  1. Identification of the novel synthetic cannabimimetic 8-quinolinyl 4-methyl-3-(1-piperidinylsulfonyl)benzoate (QMPSB) and other designer drugs in herbal incense.

    Science.gov (United States)

    Blakey, Karen; Boyd, Sue; Atkinson, Sarah; Wolf, Jenna; Slottje, Pim M; Goodchild, Katrina; McGowan, Jenny

    2016-03-01

    The identification and structural elucidation of the novel synthetic cannabimimetic 8-quinolinyl 4-methyl-3-(1-piperidinylsulfonyl)benzoate (QMPSB) by GC-MS, LC-MS and NMR is reported. QMPSB was identified in Queensland, Australia on plant material packaged as herbal incense. The identification of QMPSB was initially hampered due to trans-esterification occurring in the extraction solvent. An investigation of the trans-esterification of QMPSB in methanol and ethanol was conducted and analytical data for the respective methyl and ethyl esters are reported. Analytical data is presented for two other compounds detected on seized plant material packaged as herbal incense: the synthetic cannabimimetic 1-[(N-methylpiperidin-2-yl)methyl]-3-(4-methyl-1-naphthoyl)indole (MAM-1220) and the JWH-081 analogue 1-(cyclohexylmethyl)-3-(4-methoxy-1-naphthoyl)indole (CHM-081).

  2. Undergraduate Analytical Chemistry Experiment: The Determination of Formation Constants for Acetate and Mono-and Dichloroacetate Salts of Primary, Secondary, and Tertiary Methyl-and Ethylamines

    Science.gov (United States)

    D'Amelia, Ronald P.; Chiang, Stephanie; Pollut, Stephanie; Nirode, William F.

    2014-01-01

    The formation and the hydrolysis of organic salts produced by the titration of a 0.1 M solution of the following amines: methyl-, dimethyl-, trimethyl-, ethyl-, diethyl-, and triethylamine with a 0.1 M solution of acetic, chloroacetic, and dichloracetic acids are studied. The pK[subscript b] of the amine and the pH at the end point were determined…

  3. Structural analysis of the O-polysaccharide of the lipopolysaccharide from Azospirillum brasilense Jm6B2 containing 3-O-methyl-D-rhamnose (D-acofriose).

    Science.gov (United States)

    Boyko, Alevtina S; Dmitrenok, Andrey S; Fedonenko, Yuliya P; Zdorovenko, Evelina L; Konnova, Svetlana A; Knirel, Yuriy A; Ignatov, Vladimir V

    2012-07-01

    Two types of neutral O-polysaccharides were obtained by mild acid degradation of the lipopolysaccharide isolated by phenol-water extraction from the asymbiotic diazotrophic rhizobacterium Azospirillum brasilense Jm6B2. The following structure of the major O-polysaccharide was established by composition and methylation (ethylation) analyses, Smith degradation, and 1D and 2D (1)H and (13)C NMR spectroscopy: [structure: see text] where a non-stoichiometric (~60%) 3-O-methylation of D-rhamnose is indicated by italics.

  4. Mechanism of quizalofop-ethyl selectivity in monocotyledonous and dicotyledonous species

    Energy Technology Data Exchange (ETDEWEB)

    Ruizzo, M.A.

    1986-01-01

    Cucumber (Cucumis sativus L.) susceptibility to quizalofop-ethyl herbicide was investigated under field and greenhouse conditions. Yield of cucumber cultivars was significantly reduced under field conditions with a single or repeat application of the ethyl ester of quizalofop at 0.14 or 0.28 kg ai/ha. Under greenhouse conditions, quialofop-ethyl significantly suppressed cucumber plant fresh weight with or without the presence of an adjuvant. Enhancement of herbicide activity was directly related to concentration of adjuvant. Microliter droplet application of quizalofop-ethyl at a 10/sup -3/ M concentration, inhibited the relative growth (RGR) and net assimilation rate (NAR) of the treated cucumber leaf 45% and 52%, respectively. Expression of herbicidal injury was localized on the treated leaf with no visible symptoms observed on adjacent leaves. Radiolabeled /sup 14/C-quizalofop-ethyl was applied to leaves of cucumber and corn (Zea mays L.) to compare translocation patterns between two susceptible plant species and relate this information to the observed selectivity of the herbicide. Cucumber autoradiographs showed minimal translocation of /sup 14/C-quizalofop-ethyl 192 hours after treatment. In contrast, corn autoradiographs showed both apoplastic and symplastic transport of quizalofop-ethyl 3 and 24 hours after treatment. Quantification of /sup 14/C in cucumber revealed 96% of absorbed /sup 14/C was confined to the treated leaf after 192h of exposure.

  5. Furfuryl ethyl ether: important aging flavor and a new marker for the storage conditions of beer.

    Science.gov (United States)

    Vanderhaegen, Bart; Neven, Hedwig; Daenen, Luk; Verstrepen, Kevin J; Verachtert, Hubert; Derdelinckx, Guy

    2004-03-24

    Recently, it was reported that furfuryl ethyl ether is an important flavor compound indicative of beer storage and aging conditions. A study of the reaction mechanism indicates that furfuryl ethyl ether is most likely formed by protonation of furfuryl alcohol or furfuryl acetate followed by S(N)2-substitution of the leaving group by the nucleophilic ethanol. For the reaction in beer, a pseudo-first-order reaction kinetics was derived. A close correlation was found between the values predicted by the kinetic model and the actual furfuryl ethyl ether concentration evolution during storage of beer. Furthermore, 10 commercial beers of different types, aged during 4 years in natural conditions, were analyzed, and it was found that the furfuryl ethyl ether flavor threshold was largely exceeded in each type of beer. In these natural aging conditions, lower pH, darker color, and higher alcohol content were factors that enhanced furfuryl ethyl ether formation. On the other hand, sulfite clearly reduced furfuryl ethyl ether formation. All results show that the furfuryl ethyl ether concentration is an excellent time-temperature integrator for beer storage.

  6. Usefulness of Icosapent Ethyl (Eicosapentaenoic Acid Ethyl Ester) in Women to Lower Triglyceride Levels (Results from the MARINE and ANCHOR Trials).

    Science.gov (United States)

    Mosca, Lori; Ballantyne, Christie M; Bays, Harold E; Guyton, John R; Philip, Sephy; Doyle, Ralph T; Juliano, Rebecca A

    2017-02-01

    There are limited data on the efficacy and safety of triglyceride (TG)-lowering agents in women. We conducted subgroup analyses of the effects of icosapent ethyl (a high-purity prescription form of the ethyl ester of the omega-3 fatty acid, eicosapentaenoic acid) on TG levels (primary efficacy variable) and other atherogenic and inflammatory parameters in a total of 215 women with a broad range of TG levels (200-2000 mg/dl) enrolled in two 12-week placebo-controlled trials: MARINE (n = 18; placebo, n = 18) and ANCHOR (n = 91; placebo, n = 88). Icosapent ethyl 4 g/day significantly reduced TG levels from baseline to week 12 versus placebo in both MARINE (-22.7%; p = 0.0327) and ANCHOR (-21.5%; p 500% in eicosapentaenoic acid levels in plasma and red blood cells (all p <0.001). Icosapent ethyl was well tolerated, with adverse-event profiles comparable with findings in the overall studies. In conclusion, icosapent ethyl 4 g/day significantly reduced TG levels and other atherogenic parameters in women without increasing low-density lipoprotein cholesterol levels compared with placebo; the clinical implications of these findings are being evaluated in the REDUCtion of Cardiovascular Events With Eicosapentaenoic Acid [EPA]-Intervention Trial (REDUCE-IT) cardiovascular outcomes study. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

  7. Hydrophobic Poly(ionic liquid for Highly Effective Separation of Methyl Blue and Chromium Ions from Water

    Directory of Open Access Journals (Sweden)

    Jie Kong

    2013-10-01

    Full Text Available The hydrophobic poly(ionic liquid of poly(3-ethyl-1-vinylimidazolium bis(trifluoromethanesulfonylimide (PVI-TFSI containing imidazolium cations and bis(trifluoromethanesulfonylimide anions was synthesized for the separation of methyl blue and chromium ions [Cr(VI] from water. The adsorption of methyl blue and Cr(VI in PVI-TSFI/water system reached equilibrium stage within 60 min and 12 h, and the maximum adsorbed percentage for methyl blue and Cr(VI was 97.6% and 98.0%, respectively. The adsorption regi me of either methyl blue or Cr(VI for PVI-TFSI was in correspondence with the Langmuir adsorption model. The maximum adsorption capacity of PVI-TFSI for methyl blue and Cr(VI was determined as 476.2 and 17.9 mg/g, respectively. The hydrophobic poly(ionic liquid with a remarkable adsorbent capacity of methyl blue and Cr(VI can be conveniently synthesized and shows potential in water treatment for the effective separation of organic dyes or heavy metal ions.

  8. Metal Complexation Studies of 1-(4-Carboxy-3-hydroxy-N-methyl phenyl- amino methyl 2-methyl perimidine

    Directory of Open Access Journals (Sweden)

    Umang N. Patel

    2009-01-01

    Full Text Available Aminomethylation of 2-methyl perimidine was carried out by treating 2-methyl perimidine with formaldehyde and 4-aminosalicylic acid. The resultant compound was designed as 1-(4-caroxy-3-hydroxy-N-methyl phenylamino methyl2-methyl perimidine. The transition metal complexes of Cu2+, Co2+, Ni2+, Mn2+ and Zn2+ have been prepared and characterized by elemental analysis, spectral studies, magnetic moment determination, molar conductivity measurement and antimicrobial activity.

  9. Novel effect of the inhibitor of mitochondrial cyclophilin D activation, N-methyl-4-isoleucine cyclosporin, on renal calcium crystallization.

    Science.gov (United States)

    Niimi, Kazuhiro; Yasui, Takahiro; Okada, Atsushi; Hirose, Yasuhiko; Kubota, Yasue; Umemoto, Yukihiro; Kawai, Noriyasu; Tozawa, Keiichi; Kohri, Kenjiro

    2014-07-01

    To experimentally evaluate the clinical application of N-methyl-4-isoleucine cyclosporin, a novel selective inhibitor of cyclophilin D activation. In vitro, cultured renal tubular cells were exposed to calcium oxalate monohydrate crystals and treated with N-methyl-4-isoleucine cyclosporin. The mitochondrial membrane was stained with tetramethylrhodamine ethyl ester perchlorate and observed. In vivo, Sprague-Dawley rats were divided into four groups: a control group, an ethylene glycol group (administration of ethylene glycol to induce renal calcium crystallization), a N-methyl-4-isoleucine cyclosporin group (administration of N-methyl-4-isoleucine cyclosporin) and an ethylene glycol + N-methyl-4-isoleucine cyclosporin group (administration of ethylene glycol and N-methyl-4-isoleucine cyclosporin). Renal calcium crystallization was evaluated using Pizzolato staining. Oxidative stress was evaluated using superoxide dismutase and 8-hydroxy-deoxyguanosine. Mitochondria within renal tubular cells were observed by transmission electron microscopy. Cell apoptosis was evaluated using cleaved caspase-3. In vitro, calcium oxalate monohydrate crystals induced depolarization of the mitochondrial membrane potential, which was remarkably prevented by N-methyl-4-isoleucine cyclosporin. In vivo, ethylene glycol administration induced renal calcium crystallization, oxidative stress, mitochondrial collapse and cell apoptosis in rats, which were significantly prevented by N-methyl-4-isoleucine cyclosporin. Herein we first report a new treatment agent determining renal calcium crystallization through cyclophilin D activation. © 2014 The Japanese Urological Association.

  10. Cigarette smoking and DNA methylation

    Science.gov (United States)

    Lee, Ken W. K.; Pausova, Zdenka

    2013-01-01

    DNA methylation is the most studied epigenetic modification, capable of controlling gene expression in the contexts of normal traits or diseases. It is highly dynamic during early embryogenesis and remains relatively stable throughout life, and such patterns are intricately related to human development. DNA methylation is a quantitative trait determined by a complex interplay of genetic and environmental factors. Genetic variants at a specific locus can influence both regional and distant DNA methylation. The environment can have varying effects on DNA methylation depending on when the exposure occurs, such as during prenatal life or during adulthood. In particular, cigarette smoking in the context of both current smoking and prenatal exposure is a strong modifier of DNA methylation. Epigenome-wide association studies have uncovered candidate genes associated with cigarette smoking that have biologically relevant functions in the etiology of smoking-related diseases. As such, DNA methylation is a potential mechanistic link between current smoking and cancer, as well as prenatal cigarette-smoke exposure and the development of adult chronic diseases. PMID:23882278

  11. Estimation of quizalofop ethyl residues in black gram (Vigna mungo L.) by gas liquid chromatography.

    Science.gov (United States)

    Mandal, Kousik; Sahoo, Sanjay Kumar; Battu, R S; Singh, Balwinder

    2014-01-01

    Quizalofop ethyl, a phenoxy propionate herbicide is used for post emergence control of annual and perennial grass weeds in broad-leaved crops in India. The experiments were designed to study the harvest time residues of quizalofop ethyl in black gram for two seasons. At harvest time, the residues of quizalofop ethyl on black gram seed, foliage and soil were found to be below the determination limit of 0.01 mg kg(-1) following a single application of the herbicide at 50 and 100 g a.i. ha(-1) for both the periods. Application of the herbicide is quite safe from a consumer and environmental point of view.

  12. Synthesis and characterization of PEG-coated poly(ethyl cyanoacrylate) nanoparticles

    Institute of Scientific and Technical Information of China (English)

    ZHAO Jin-hua; SUN Duo-xian

    2001-01-01

    Injectable nanoparticle carrier, poly (ethylene glycol)-coated poly (ethyl cyanoacrylate) has been prepared by a simple method. At First, synthesizing PEG macromonomer of poly(ethylene glycol) monomethyl ether with acryloyl chlo ride, then graft copolymer of poly(ethyl cyanoacrylate) and poly(ethylene glycol)was yield by free radical polymerization of ethyl cyanoacrylate with PEG macromonomer in toluene solvent. Characterization of the copolymer has been per formed by FTIR, 1H-NMR and GPC analysis. Nanoparticles were easily prepared from the obtained amphiphilic copolymer.

  13. Crystal structure of ethyl 2-[2-(4-methylbenzoyl-5-p-tolyl-1H-imidazol-1-yl]acetate

    Directory of Open Access Journals (Sweden)

    E. Arockia Jeya Yasmi Prabha

    2016-03-01

    Full Text Available In the title compound, C22H22N2O3, the plane of the five-membered ring is oriented at dihedral angles of 45.4 (1 and 52.5 (1° to the phenyl rings. Furthermore, this ring makes an angle of 85.2 (2° with the plane of the ethyl acetate substituent. The molecular structure is affected by an intramolecular C—H...O hydrogen bond between an H atom from the p-tolyl group and the carbonyl O atom of the acetate. The methyl group of the ethyl acetate residue is disordered over two sites with equal occupancies. The crystal structure features intermolecular C—H...O and C—H...N interactions. One of the C—H...O hydrogen bonds forms a C(5 chain motif extending along the a axis. In addition, C—H...N contacts form inversion dimers with R22(12 ring motifs, linking the imidazole ring system to the benzene ring of the p-tolyl substituent.

  14. On the chemical ladder of esters. Detection and formation of ethyl formate in the W51 e2 hot molecular core

    CERN Document Server

    Rivilla, V M; Martín-Pintado, J; Fontani, F; Caselli, P; Cesaroni, R

    2016-01-01

    The detection of organic molecules with increasing complexity and potential biological relevance is opening the possibility to understand the formation of the building blocks of life in the interstellar medium. One of the families of molecules with astrobiological interest are the esters, whose simplest member, methyl formate, is rather abundant in star-forming regions. The next step in the chemical complexity of esters is ethyl formate, C$_2$H$_5$OCHO. Only two detections of this species have been reported so far, which strongly limits our understanding of how complex molecules are formed in the interstellar medium. We have searched for ethyl formate towards the W51 e2 hot molecular core, one of the most chemically rich sources in the Galaxy and one of the most promising regions to study prebiotic chemistry, especially after the recent discovery of the P$-$O bond, key in the formation of DNA. We have analyzed a spectral line survey towards the W51 e2 hot molecular core, which covers 44 GHz in the 1, 2 and 3 ...

  15. Construction of Differential-Methylation Subtractive Library

    Directory of Open Access Journals (Sweden)

    Wei Hu

    2014-01-01

    Full Text Available Stress-induced ROS changes DNA methylation patterns. A protocol combining methylation-sensitive restriction endonuclease (MS-RE digestion with suppression subtractive hybridization (SSH to construct the differential-methylation subtractive library was developed for finding genes regulated by methylation mechanism under cold stress. The total efficiency of target fragment detection was 74.64%. DNA methylation analysis demonstrated the methylation status of target fragments changed after low temperature or DNA methyltransferase inhibitor treatment. Transcription level analysis indicated that demethylation of DNA promotes gene expression level. The results proved that our protocol was reliable and efficient to obtain gene fragments in differential-methylation status.

  16. 1-Ethyl-3-methylquinoxalin-2(1H-one

    Directory of Open Access Journals (Sweden)

    Hanane Benzeid

    2008-11-01

    Full Text Available The asymmetric unit of the title compound, C11H12N2O, contains two independent molecules. In the crystal structure, intermolecular C—H...O hydrogen bonds link the molecules. There are π–π contacts between the quinoxaline rings [centroid–centroid distances = 3.446 (2, 3.665 (2, 3.645 (3 and 3.815 (3 Å]. There also exist C—H...π contacts between the methyl groups and the quinoxaline rings.

  17. Crystal structure of 1-ethyl-5-iodoindolin-2-one

    Directory of Open Access Journals (Sweden)

    Man Zhang

    2015-06-01

    Full Text Available In the title indolinone derivative, C10H10INO, all the non-H atoms, except the terminal methyl C atom, are almost coplanar. The molecules are arranged into columns extending along the a-axis direction and interact with the molecules in adjacent columns via C—H...O hydrogen bonds [H...O distance = 2.57 (3 Å] and I...I short contacts of 3.8986 (3 Å. A one-dimensional zigzag iodine chain along the a axis is apparent between two neighbouring columns.

  18. Crystal structure of ethyl 2-chloro-6-methylquinoline-3-carboxylate

    Directory of Open Access Journals (Sweden)

    Hasna Hayour

    2014-09-01

    Full Text Available In the title compound, C13H12ClNO2, the dihedral angle between the planes of the quinoline ring system (r.m.s. deviation = 0.029 Å and the ester group is 54.97 (6°. The C—O—C—Cm (m = methyl torsion angle is −140.62 (16°. In the crystal, molecules interact via aromatic π–π stacking [shortest centroid–centroid separation = 3.6774 (9 Å] generating (010 sheets.

  19. [Carbohydrate deficient transferrin and ethyl glucuronide: markers for alcohol use].

    Science.gov (United States)

    Paling, Erik P; Mostert, Leendert J

    2013-01-01

    In this article, we report on the usefulness of physicians testing for carbohydrate deficient transferrin (CDT) and ethyl glucuronide (EtG) when there are doubts about alcohol use by their patients. A 44-year-old male consulted his general practitioner with depressive symptoms and denied using alcohol. Laboratory examination revealed an elevated CDT value. The latter was caused by chronic alcohol use. The second patient, a 32-year-old female with known alcohol dependence and receiving inpatient treatment at an addiction clinic, came back from leave. She denied having consumed alcohol and her blood alcohol concentration was zero. Examination of her urine showed an elevated EtG/creatinine ratio. This was caused by having had a few drinks during her leave and could not have been caused by using mouthwash or disinfection soap. We describe how to use the results of CDT and EtG testing in the therapeutic process and give recommendations for patient communication before performing these two tests.

  20. BAND-LIKE TEXTURE OF ETHYL-CYANOETHYL CELLULOSE MESOPHASE

    Institute of Scientific and Technical Information of China (English)

    HUANG Yong

    1991-01-01

    In the ethyl-cyanoethylcellulose ((E-CE)C)/dichloroacetic acid ( DCA ) cholesteric liquid crystalline solution, the band-like texture is formed when the mesophase aggregates with the disk-like texture grow to big enough and merge with each other with increasing concentration. The band-like texture is composed of parallel equidistant bright and dark alternative strips which are about 0.2-2.0 μm in width. In the band-like texture, the layers of ordered polymer chains are perpendicular to the solution film and the axes of helicoids are parallel to it. The width of the strips is different in different zones. Under the effect of an external magnetic field, the strips in the band-like texture first become wider and then narrower gradually. Moreover, the axes of helicoids in the (E-CE) C/DCA mesomorphic solution change from the direction normal to the magnetic field to the agreement with the magnetic field direction.

  1. Membrane Separation of 2-Ethyl Hexyl Amine/1-Decene

    KAUST Repository

    Bawareth, Bander

    2012-12-01

    1-Decene is a valuable product in linear alpha olefins plants that is contaminated with 2-EHA (2-ethyl hexyl amine). Using organic solvent nanofiltration membranes for this separation is quite challengeable. A membrane has to be a chemically stable in this environment with reasonable and stable separation factor. This paper shows that Teflon AF 2400 and cellulose acetate produced interesting results in 1-decene/2-EHA separation. The separation factor of Teflon AF 2400 is 3 with a stable permeance of 1.1x10-2 L/(m2·h·bar). Likewise, cellulose acetate gave 2-EHA/1-decene separation factor of 2 with a lower permeance of 3.67x10-3 L/(m2·h·bar). A series of hydrophilic membranes were tested but they did not give any separation due to high degree of swelling of 2-EHA with these polymers. The large swelling causes the membrane to lose its diffusivity selectivity because of an increase in the polymer\\'s chain mobility.

  2. Organomontmorillonites Modified with 2-Methacryloyloxy Ethyl Alkyl Dimethyl Ammonium Bromide

    Institute of Scientific and Technical Information of China (English)

    WANG Jian-quan; WU Wen-hui

    2007-01-01

    Organomontmorillonites (organo-MMT) were synthesized by means of montmorillonites (MMT) modified with a series of 2-methacryloyloxy ethyl alkyl dimethyl ammonium bromide (MAAB) having different alkyl chain lengths as cationic surfactants through a cationic exchanging reaction, and were characterized by FTIR, TG, elemental analysis, and XRD. The microenvironment of the organic interlayer such as the orientation and arrangement of the alkyl chains of MAAB, as well as the properties of nanocomposite hydrogels, were also investigated. The amount of organic components absorbed on interlayer and the basal spacing of organo-MMT both increase with the increasing of alkyl length of MAAB. When carbon number of alkyl chain is in the region of 8 to 14, the alkyl chains between layers would adopt a disordered gauche conformation; while the carbon number is 16, an ordered all-trans conformation with a vertical orientation would be found together with the disordered gauche conformation according to the results of XRD and FTIR. Due to the difference of microenvironment of organic interlayer, the Young's moduli of the nanocomposite hydrogels increased as the alkyl chains of MAAB became longer.

  3. Ethyl sulphate and ethyl glucuronide in vitreous humor as postmortem evidence marker for ethanol consumption prior to death.

    Science.gov (United States)

    Thierauf, Annette; Kempf, Jürgen; Perdekamp, Markus Grosse; Auwärter, Volker; Gnann, Heike; Wohlfarth, Ariane; Weinmann, Wolfgang

    2011-07-15

    To clarify the circumstances of death, the degree of inebriation is of importance in many cases, but for several reasons the determination of the ethanol concentration in post-mortem samples can be challenging and the synopsis of ethanol and the direct consumption markers ethyl glucuronide (EtG) and ethyl sulphate (EtS) has proved to be useful. The use of a rather stable matrix like vitreous humor offers further advantages. The aim of this study was to determine the concentrations of ethanol and the biomarkers in the robust matrix of vitreous humor and to compare them with the respective levels in peripheral venous blood and urine. Samples of urine, blood from the femoral vein and vitreous humor were taken from 26 deceased with suspected ethanol consumption prior to death and analyzed for ethanol, EtS and EtG. In the urine samples creatinine was also determined. The personal data, the circumstances of death, the post-mortem interval and the information about ethanol consumption prior to death were recorded. EtG and EtS analysis in urine was performed by LC-ESI-MS/MS, creatinine concentration was determined using the Jaffé reaction and ethanol was detected by HS-GC-FID and by an ADH-based method. In general, the highest concentrations of the analytes were found in urine and showed statistical significance. The mean concentrations of EtG were 62.8mg/L (EtG100 206.5mg/L) in urine, 4.3mg/L in blood and 2.1mg/L in vitreous humor. EtS was found in the following mean concentrations: 54.6mg/L in urine (EtS100 123.1mg/L), 1.8mg/L in blood and 0.9mg/L in vitreous humor. Ethanol was detected in more vitreous humor samples (mean concentration 2.0g/kg) than in blood and urine (mean concentration 1.6g/kg and 2.1g/kg respectively). There was no correlation between the ethanol and the marker concentrations and no statistical conclusions could be drawn between the markers and matrices.

  4. Raman Spectroscopy of Fish Oil Capsules: Polyunsaturated Fatty Acid Quantitation Plus Detection of Ethyl Esters and Oxidation.

    Science.gov (United States)

    Killeen, Daniel P; Marshall, Susan N; Burgess, Elaine J; Gordon, Keith C; Perry, Nigel B

    2017-05-03

    Fish oils are the primary dietary source of ω-3 polyunsaturated fatty acids (PUFA), but these compounds are prone to oxidation, and commercial fish oil supplements sometimes contain less PUFA than claimed. These supplements are predominantly sold in softgel capsules. In this work, we show that Fourier transform (FT)-Raman spectra of fish oils (n = 5) and ω-3 PUFA concentrates (n = 6) can be acquired directly through intact softgel (gelatin) capsules. These spectra could be used to rapidly distinguish supplements containing ethyl esters from those containing triacylglyceride oils. Raman spectroscopy calibrated with partial least-squares regression against traditional fatty acid methyl ester analyses by gas chromatography-mass spectrometry could be used to rapidly and nondestructively quantitate PUFA and other fatty acid classes directly though capsules. We also show that FT-Raman spectroscopy can noninvasively detect oxidation with high sensitivity. Oils with peroxide values of as low as 10 mequiv kg(-1), which are on the cusp of falling outside of specification, could be readily distinguished from oils that were within specification (7 mequiv kg(-1)).

  5. Ethyl Formate Fumigation of Dry and Semidry Date Fruits: Experimental Kinetics, Modeling, and Lethal Effect on Carob Moth.

    Science.gov (United States)

    Bessi, Haithem; Bellagha, Sihem; Lebdi, Kaouthar Grissa; Bikoba, Veronique; Mitcham, Elizabeth J

    2015-06-01

    Ethyl formate (EF) was studied as a fumigant agent with the objective to replace methyl bromide (MB) for date fruit disinfestations. Date fruits Phoenix dactylifera 'Deglet Nour' with different initial moisture content (16% for dry dates, 20% for semidry dates, and a mixture of the two types) were separately fumigated with EF at different concentrations: 28.6, 57.3, 85.9, and 114.6 g/m3 for 2 h. Experimental data of EF sorption during fumigation was successfully fitted to Peleg's model. This model allows the prediction of the effects of date moisture content and EF concentration on sorption behavior. Samples with different moisture content showed similar EF sorption behavior. Dates were artificially infested with carob moth (Ectomyelois ceratoniae (Zeller)) at different life stages. Eggs, third- and fifth-instars, and pupae were exposed to 28.6, 57.3, 85.9, and 114.6 g/m3 EF for 2 h. Among these life stages, fifth-instars were the most resistant to EF fumigation. A 2-h fumigation with 114.6 g/m3 EF provided complete control of eggs, third-instars, and pupae of carob moth, and generated 91.6% mortality of fifth-instars. A longer fumigation time or higher EF concentration may provide complete control of all life stages of carob moth.

  6. Whole genome methylation profiling by immunoprecipitation of methylated DNA.

    Science.gov (United States)

    Sharp, Andrew J

    2012-01-01

    I provide a protocol for DNA methylation profiling based on immunoprecipitation of methylated DNA using commercially available monoclonal antibodies that specifically recognize 5-methylcytosine. Quantification of the level of enrichment of the resulting DNA enables DNA methylation to be assayed for any genomic locus, including entire chromosomes or genomes if appropriate microarray or high-throughput sequencing platforms are used. In previous studies (1, 2), I have used hybridization to oligonucleotide arrays from Roche Nimblegen Inc, which allow any genomic region of interest to be interrogated, dependent on the array design. For example, using modern tiling arrays comprising millions of oligonucleotide probes, several complete human chromosomes can be assayed at densities of one probe per 100 bp or greater, sufficient to yield high-quality data. However, other methods such as quantitative real-time PCR or high-throughput sequencing can be used, giving either measurement of methylation at a single locus or across the entire genome, respectively. While the data produced by single locus assays is relatively simple to analyze and interpret, global assays such as microarrays or high-throughput sequencing require more complex statistical approaches in order to effectively identify regions of differential methylation, and a brief outline of some approaches is given.

  7. Methyl Acetate and its singly deuterated isotopomers in the interstellar medium

    CERN Document Server

    Das, Ankan; Sahu, Dipen; Gorai, Prasanta; Sivaraman, B; Chakrabarti, Sandip K

    2015-01-01

    Methyl acetate (CH_3COOCH_3) has been recently observed by IRAM 30 m radio telescope in Orion though the presence of its deuterated isotopomers is yet to be confirmed. We therefore study the properties of various forms of methyl acetate, namely, CH_3COOCH_3, CH_2DCOOCH_3 and CH_3COOCH_2D. Our simulation reveals that these species could be produced efficiently both in gas as well as in ice phases. Production of methyl acetate could follow radical-radical reaction between acetyl (CH_3CO) and methoxy (CH_3O) radicals. To predict abundances of CH_3COOCH_3 along with its two singly deuterated isotopomers and its two isomers (ethyl formate and hydroxyacetone), we prepare a gas-grain chemical network to study chemical evolution of these molecules. Since gas phase rate coefficients for methyl acetate and its related species were unknown, either we consider similar rate coefficients for similar types of reactions (by following existing data bases) or we carry out quantum chemical calculations to estimate the unknown r...

  8. Reaction of [P(2)N(2)]Ta==CH(2)(Me) with ethylene: synthesis of [P(2)N(2)]Ta(C(2)H(4))Et, a neutral species with a beta-agostic ethyl group in equilibrium with an alpha-agostic ethyl group ([P(2)N(2)] = PhP(CH(2)SiMe(2)CH(2))(2)PPh).

    Science.gov (United States)

    Fryzuk, M D; Johnson, S A; Rettig, S J

    2001-02-28

    The photolysis of [P(2)N(2)]TaMe(3) ([P(2)N(2)] = PhP(CH(2)SiMe(2)NSiMe(2)CH(2))(2)PPh) produces [P(2)N(2)]Ta=CH(2)(Me) as the major product. The thermally unstable methylidene complex decomposes in solution in the absence of trapping agents to unidentified products. However, in the presence of ethylene [P(2)N(2)]Ta=CH(2)(Me) is slowly converted to [P(2)N(2)]Ta(C(2)H(4))Et, with [P(2)N(2)]Ta(C(2)H(4))Me observed as a minor product. A mechanistic study suggests that the formation of [P(2)N(2)]Ta(C(2)H(4))Et results from the trapping of [P(2)N(2)]TaEt, formed by the migratory insertion of the methylene moiety into the tantalum-methyl bond. The minor product, [P(2)N(2)]Ta(C(2)H(4))Me, forms from the decomposition of a tantalacyclobutane resulting from the addition of ethylene to [P(2)N(2)]Ta=CH(2)(Me) and is accompanied by the production of an equivalent of propylene. Pure [P(2)N(2)]Ta(C(2)H(4))Et can be synthesized by hydrogenation of [P(2)N(2)]TaMe(3) in the presence of PMe(3), followed by the reaction of ethylene with the resulting trihydride. Crystallographic and NMR data indicate the presence of a beta-agostic interaction between the ethyl group and tantalum center in [P(2)N(2)]Ta(C(2)H(4))Et. Partially deuterated analogues of [P(2)N(2)]Ta(C(2)H(4))Et show a large isotopic perturbation of resonance for both the beta-protons and the alpha-protons of the ethyl group, indicative of an equilibrium between a beta-agostic and an alpha-agostic interaction for the ethyl group in solution. An EXSY spectrum demonstrates that an additional fluxional process occurs that exchanges all of the (1)H environments of the ethyl and ethylene ligands. The mechanism of this exchange is believed to involve the direct transfer of the beta-agostic hydrogen atom from the ethyl group to the ethylene ligand, via the so-called beta-hydrogen transfer process.

  9. Chemical reactivity of ethyl 4-(1-ethyl-1,2-dihydro-4-hydroxy-2-oxoquinolin-3-yl-2,4-dioxobutanoate towards some nucleophilic reagents

    Directory of Open Access Journals (Sweden)

    Hany Hassanin

    2016-02-01

    Full Text Available AbstractA novel series of heterocyclic systems linked with quinolin-2-one was efficiently synthesized from reaction of ethyl 4-(1-ethyl-1,2-dihydro-4-hydroxy-2-oxoquinolin-3-yl -2,4-dioxobutanoate (1 with a variety of nitrogen and/or carbon nucleophiles. A variety of heterocyclic systems such as pyrazoles, pyrimidines, pyrazines, oxazines and triazines containing quinoline moiety were synthesized. Structures of the new synthesized products were deduced on basis of their analytical and spectral data.

  10. Synthesis and Anti-influenza Virus Activity of Ethyl 6-Bromo-5-hydroxyindole-3-carboxylate Derivatives

    Institute of Scientific and Technical Information of China (English)

    Yan Fang ZHAO; Jin Hua DONG; Ping GONG

    2004-01-01

    A series of ethyl 6-bromo-5-hydroxyindole-3-carboxylate derivatives were synthesized and their in vitro anti-influenza virus activity was evaluated. All the compounds were characterized by 1H NMR and MS.

  11. Ethanolysis of rapeseed oil - distribution of ethyl esters, glycerides and glycerol between ester and glycerol phases.

    Science.gov (United States)

    Cernoch, Michal; Hájek, Martin; Skopal, Frantisek

    2010-04-01

    The distribution of ethyl esters, triglycerides, diglycerides, monoglycerides, and glycerol between the ester and glycerol phase was investigated after the ethanolysis of rapeseed oil at various reaction conditions. The determination of these substances in the ester and glycerol phases was carried out by the GC method. The amount of ethyl esters in the glycerol phase was unexpectedly high and therefore the possibility of the reduction of this amount was investigated. The distribution coefficients and the weight distributions of each investigated substance were calculated and compared mutually. The distribution coefficients between the ester and glycerol phase increase in this sequence: glycerol, monoglycerides, diglycerides, ethyl esters, and triglycerides. Soaps and monoglycerides in the reaction mixture cause a worse separation of ethyl esters from the reaction mixture. The existence of a non-separable reaction mixture was observed also, and its composition was determined.

  12. Isolation and Characterization Compounds From Hexane and Ethyl Acetate Fractions of Peperomia pellucida L.

    Directory of Open Access Journals (Sweden)

    Sri Hartati

    2015-09-01

    Full Text Available Peperomia pellucida was used traditionally in Indonesia for health treatment: wounds, boils, pimples, abscesses, abdominal pain, colic, gout, kidney, rheumatic pain, fatigue headache, furuncles, conjunctivitis and anti dermatogenic and also for dengue treatment. The isolation compounds from hexane and ethyl acetate fractions of Peperomia pellucida L. are conducted by maceration of the dry herbs sample with methanol and partition with hexane, ethyl acetate, butanol and water. The hexane and ethyl acetate fractions were fractionated by gravitation column chromatography and eluted successively with hexane, ethyl acetate and methanol by the gradient. The structure was elucidated base on spectroscopy data of NMR proton and carbon for one and two dimension, LCMS and FT-IR. The isolation founded three compounds are stigmasterol, analogue of pheophytin and β-sitosterol-D-glucopyranoside.

  13. Uses and benefits of omega-3 ethyl esters in patients with cardiovascular disease

    Directory of Open Access Journals (Sweden)

    Giacomo Levantesi

    2010-07-01

    Full Text Available Giacomo Levantesi, Maria Giuseppina Silletta, Roberto MarchioliLaboratory of Clinical Epidemiology of Cardiovascular Disease, Consorzio Mario Negri Sud, Chieti, ItalyAbstract: Much evidence on the favorable effects of omega-3 ethyl esters on cardiovascular morbidity and mortality has been obtained in studies performed in healthy subjects and in different clinical settings. Here the clinical effects of omega-3 ethyl ester administration in patients with previous myocardial infarction or heart failure are reviewed, together with a discussion of underlying mechanisms of action. The pharmacokinetic and pharmacodynamic properties of omega-3 ethyl esters, as well as evidence concerning their safety and tolerability, are also reported.Keywords: omega-3 ethyl esters, myocardial infarction, heart failure

  14. Base-switched annuloselectivity in the reactions of ethyl malonyl chloride and imines.

    Science.gov (United States)

    Yang, Zhanhui; Li, Siqi; Zhang, Zhong; Xu, Jiaxi

    2014-12-28

    The base-switched annuloselectivity, namely [2 + 2] and [2 + 2 + 2] selectivity, in the reactions of ethyl malonyl chloride and imines is successfully realized. In the presence of the weak nucleophilic base 2-chloropyridine, the reactions deliver ethyl trans-β-lactam-3-carboxylates as the exclusive [2 + 2] products in up to 93% yields, while with the strong nucleophilic N-methylimidazole as the base, the reactions give rise to 2,3-dihydro-1,3-oxazin-4-one derivatives as the sole products in up to 99% yields via the formal [2 + 2 + 2] cycloaddition involving one molecule of the imine and two molecules of the ketene generated from malonyl chloride. Notably, ethyl trans-β-lactam-3-carboxylates are synthesized for the first time directly from the reactions of ethyl malonyl chloride and imines. Mechanistic discussions reveal that the annuloselectivity is controlled by the nucleophilicity of organic bases.

  15. Influence of alcohol: oil molar ratio on the production of ethyl esters ...

    African Journals Online (AJOL)

    Influence of alcohol: oil molar ratio on the production of ethyl esters by enzymatic transesterification of canola oil. ... cosolvent-free reaction system with ethanol addition in three steps showed great potential for ester production. ... Article Metrics.

  16. Influence of inorganic anions and organic additives on photocatalytic degradation of methyl orange with supported polyoxometalates as photocatalyst

    Institute of Scientific and Technical Information of China (English)

    WANG Yajun; LU Kecheng; FENG Changgen

    2013-01-01

    A novel supported polyoxometalate (POM),phosphotungstic acid immobilized into yttrium-doped TiO2 (HPW-Y-TiO2)nano photocatalyst was prepared via sol-gel and impregnation method.The samples were characterized using Fourier transform infrared spectroscopy (FT-IR),X-ray diffraction (XRD) and N2 absorption-desorption analysis.The results showed that the supported POM exhibited Keggin structure and anatase phase with large BET surface area.The influences of inorganic anions and organic additives on the photocatalytic degradation of azo dye methyl orange with HPW-Y-TiO2 as photocatalyst under UV light (λ≥365 um)were investigated.Results showed that inorganic anions Cl-,SO42-,CO32-and NO3-had inhibition effect on the degradation of methyl orange.A great enhancement of degradation rate was obtained while H2O2 and ethyl alcohol were applied.The degradation rates improved with the increase of H2O2 concentration.The optimum additive amount of ethyl alcohol was 0.5 mol/L.The possible mechanisms of the effects of additives on methyl orange degradation were discussed.

  17. Determination of Bioactive Components of Ethyl Acetate Fraction of Punica granatum Rind Extract

    OpenAIRE

    J. Sangeetha; K. Vijayalakshmi

    2011-01-01

    Punica granatum belongs to a Punicaceae family. The Punica granatum is valued as a powerful medicinal plant and used in folk medicines. Hence the present investigation was carried out to determine the possible chemical components from ethyl acetate fraction of Punica granatum rind extract by GC-MS Technique. This analysis revealed that ethyl acetate fraction of Punica granatum rind extract contain Pyrogallol (41.88%), 5-Hydroxymethylfurfural (14.10%), D-Allose (9.17%), 2-Methoxy-1, 4-Benzened...

  18. Hydrocracking of ethyl laurate on bifunctional micro-/mesoporous composite materials

    Energy Technology Data Exchange (ETDEWEB)

    Adam, M.; Busse, O.; Reschetilowski, W. [Technische Univ. Dresden (Germany). Inst. for Industrial Chemistry

    2011-07-01

    Hydrocracking of ethyl laurate (dodecanoic acid ethyl ester) as a representative model compound of vegetable oil has been investigated in a fixed bed reactor under integral conditions. A synthesized micro-/mesoporous composite support material Al-MCM-41/ZSM-5 modified by different metal loadings (NiMo, NiW, PtNiW) was used as catalyst system. It could be demonstrated that the metal loading and reducibility influence product selectivity as well as deactivation behavior of catalyst samples. (orig.)

  19. Titania-catalysed oxidative dehydrogenation of ethyl lactate: effective yet selective free-radical oxidation

    NARCIS (Netherlands)

    Ramos-Fernandez, E.V.; Geels, N.J.; Shiju, N.R.; Rothenberg, G.

    2014-01-01

    We research here the catalytic oxidative dehydrogenation of ethyl lactate, as an alternative route to ethyl pyruvate. Testing various solid catalysts (Fe2O3, TiO2, V2O5/MgO-Al2O3, ZrO2, CeO2 and ZnO), we find that simple and inexpensive TiO2 efficiently catalyses this reaction under mild conditions.

  20. N-[(9-Ethyl-9H-carbazol-3-ylmethylene]-3,4-dimethylisoxazol-5-amine

    Directory of Open Access Journals (Sweden)

    Abdullah Mohamed Asiri

    2010-05-01

    Full Text Available The title compound, N-[(9-ethyl-9H-carbazol-3-ylmethylene]-3,4-dimethylisoxazol-5-amine has been synthesized by reaction of 9-ethyl-9H-carbazole-3-carbaldehyde with 5-amino-3,4-dimethylisoxazole in the presence of acetic acid in ethanol. The structure of this new compound was confirmed by elemental analysis, IR, 1H-NMR, 13C-NMR and EI-MS spectral analysis.

  1. COMPLEX REACTIONS OF ETHYL-GLUCOSIDES SYNTHESIS OVER ION EXCHANGE RESIN

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    IntroductionEthyl-glucoside was a tasty component of sakeand mirin, which was effective in deodorizing badsmell from fish and animal meats ['], softening saltytaste and improving all-around taste for food cooking.Sake has been used as cosmetic for skin treatment fora long time in Japan. Ethyl-glucoside, a typicalingredient in the sake, can reduce the hUrt of exposureto ultraviolat [z]. In addition, alkylglucoside was a newclass of nonionic suthetant, which was oftenapplicable in cosmetics, food emulsifier a...

  2. Influence of the Functionalization Degree of Acidic Ion-Exchange Resins on Ethyl Octyl Ether Formation

    OpenAIRE

    Guilera, J.; Hanková, L. (Libuše); Jeřábek, K.; E Ramírez; Tejero, J.

    2014-01-01

    Ethyl octyl ether (EOE) can be obtained by the ethylation of 1-octanol by means of ethanol or diethyl carbonate over acidic ion-exchange resins. However, EOE formation has to compete with the less steric demanding formation of diethyl ether, by-product obtained from ethanol dehydration or diethyl carbonate decomposition. In the present work, the influence of the resin functionalization degree on EOE formation has been evaluated. A series of partially sulfonated resins were prepared by the sul...

  3. ETHYL CYANIDE ON TITAN: SPECTROSCOPIC DETECTION AND MAPPING USING ALMA

    Energy Technology Data Exchange (ETDEWEB)

    Cordiner, M. A.; Palmer, M. Y.; Nixon, C. A.; Charnley, S. B.; Mumma, M. J.; Serigano, J. [NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20771 (United States); Irwin, P. G. J. [Atmospheric, Oceanic and Planetary Physics, Clarendon Laboratory, University of Oxford, Parks Road, Oxford, OX1 3PU (United Kingdom); Teanby, N. A. [School of Earth Sciences, University of Bristol, Wills Memorial Building, Queen’s Road, Bristol, BS8 1RJ (United Kingdom); Kisiel, Z. [Institute of Physics, Polish Academy of Sciences, Al. Lotnikøw 32/46, 02-668 Warszawa (Poland); Kuan, Y.-J.; Chuang, Y.-L. [National Taiwan Normal University, Taipei 116, Taiwan (China); Wang, K.-S., E-mail: martin.cordiner@nasa.gov [Institute of Astronomy and Astrophysics, Academia Sinica, Taipei 106, Taiwan (China)

    2015-02-10

    We report the first spectroscopic detection of ethyl cyanide (C{sub 2}H{sub 5}CN) in Titan’s atmosphere, obtained using spectrally and spatially resolved observations of multiple emission lines with the Atacama Large Millimeter/submillimeter Array (ALMA). The presence of C{sub 2}H{sub 5}CN in Titan’s ionosphere was previously inferred from Cassini ion mass spectrometry measurements of C{sub 2}H{sub 5}CNH{sup +}. Here we report the detection of 27 rotational lines from C{sub 2}H{sub 5}CN (in 19 separate emission features detected at >3σ confidence) in the frequency range 222–241 GHz. Simultaneous detections of multiple emission lines from HC{sub 3}N, CH{sub 3}CN, and CH{sub 3}CCH were also obtained. In contrast to HC{sub 3}N, CH{sub 3}CN, and CH{sub 3}CCH, which peak in Titan’s northern (spring) hemisphere, the emission from C{sub 2}H{sub 5}CN is found to be concentrated in the southern (autumn) hemisphere, suggesting a distinctly different chemistry for this species, consistent with a relatively short chemical lifetime for C{sub 2}H{sub 5}CN. Radiative transfer models show that C{sub 2}H{sub 5}CN is most concentrated at altitudes ≳200 km, suggesting production predominantly in the stratosphere and above. Vertical column densities are found to be in the range (1–5) × 10{sup 14} cm{sup −2}.

  4. Comparison of urinary excretion characteristics of ethanol and ethyl glucuronide.

    Science.gov (United States)

    Dahl, Helen; Stephanson, Nikolai; Beck, Olof; Helander, Anders

    2002-01-01

    This study compared the urinary excretion characteristics of ethyl glucuronide (EtG) with that of ethanol, with focus on the effect of water-induced diuresis. Six healthy volunteers ingested an ethanol dose of 0.5 g/kg (range 25.0-41.5 g) as 5% (v/v) beer in 30 min and the same volume of water after 3 h. Urine collections were made before starting the experiment and at timed intervals over 31.5 h. The concentration of EtG was determined by an LC-MS method (LOQ = 0.1 mg/L). The urine samples collected immediately before starting drinking were all negative for ethanol and EtG, thus confirming that the participants had not recently ingested alcohol. Intake of beer resulted in a marked increase in excreted urine volume and a concomitant drop in creatinine concentration. The concentration of ethanol peaked at a mean value of 17 mmol/L in the 1.5-h urine collection. Except for one subject, EtG was first detectable (range 0.9-5.5 mg/L) at 1 h. Intake of water at 3 h produced another increase in urine volume and a drop in creatinine. The ethanol concentration curve was not influenced by the water diuresis, whereas this caused a distinct drop in the EtG concentration. When EtG was expressed relative to the creatinine value, this ratio was seemingly not affected by the intake of water. The ethanol concentration returned to zero at 6.5 h, whereas EtG was still detectable for up to 22.5-31.5 h, albeit at low levels in the end (water prior to voiding, whereas this strategy did not influence the EtG/creatinine ratio or the concentration of ethanol.

  5. On the microstructures of ethyl acetate/monoolein/water.

    Science.gov (United States)

    Imberg, Anna

    2006-12-01

    A phase diagram, describing the behavior of the polar lipid monoolein (MO), water, and ethyl acetate (EtAc), is here presented as well as results from small angle X-ray scattering. MO is found to have a solubility of 60wt.% in EtAc at 20 degrees C. No macroscopic aggregation of MO can, initially, be detected in the binary MO/EtAc solution even though MO forms solid crystals in concentrated samples when times goes by. In case of the ternary system small amounts of water, mainly bound to the lipid head groups, can be incorporated in the liquid EtAc/MO phase as water has a limited solubility in EtAc. For EtAc/water mass ratios below 2/3 EtAc is present into the reversed bicontinuous cubic and lamellar phases present in the binary MO/water system. To conclude, EtAc is mainly partitioned to the lipid membranes, with minor effects on spontaneous curvature. Hence, simple EtAc-addition has an effect similar to dehydration. For EtAc/water ratios above 2/3 the liquid crystalline phases dissolve. The phase behavior is here discussed in view of related phase behaviors for water-miscible solvent/MO/water systems. For instance, an interpretation of the swelling behavior of the sponge phase (L(3)), present in the water-miscible solvent(s)/MO/water systems, shows that solvents partitioned to the polar domains strongly increases the spontaneous curvature of the MO-films. The reason is probably weaker hydrophobic interactions in interfacial regions. As expected, in case of water-miscible solvents, the ternary phase behaviors can be understood by consider water and water-miscible solvent as one "mixed solvent".

  6. Topical ethyl chloride fine spray. Does it have any antimicrobial activity?

    Energy Technology Data Exchange (ETDEWEB)

    Burney, K.; Bowker, K.; Reynolds, R.; Bradley, M

    2006-12-15

    Aim: The aim of this study was to assess whether ethyl chloride fine spray (Cryogesic[reg]) has antimicrobial activity. Material and methods: Blood agar plates supplemented with 5% horse blood were inoculated with five different organisms, coagulase-negative staphylococci (CNS), methicillin-sensitive Staphylococcus aureus (MSSA), methicillin-resistant S. aureus (MRSA), Streptococcus pyogenes and Enterococcus faecalis. The plates were assessed for growth inhibition at 24 and 48 h by the microbiologist and compared with the non-sprayed control plates. Results: The model showed a highly significant (p < 0.0001) reduction in bacterial count for the plates treated with fine ethyl chloride spray. The estimate of the percentage of bacteria remaining after spraying with ethyl chloride was 42.7%, with a 95% confidence interval of 35.9-50.9%. There was no evidence that the effect of ethyl chloride fine spray was different for the different organisms (p = 0.49). Conclusion: The use of ethyl chloride shows bacterial count reduction but the clinical implication of this needs to be determined. The authors postulate that any statistically significant reduction can only be helpful in reducing the infection rates. This coupled with the already proven local anaesthetic effects of ethyl chloride will make it an important tool for procedures like arthrocentesis and venepunctures.

  7. Icosapent ethyl: Eicosapentaenoic acid concentration and triglyceride-lowering effects across clinical studies.

    Science.gov (United States)

    Bays, Harold E; Ballantyne, Christie M; Doyle, Ralph T; Juliano, Rebecca A; Philip, Sephy

    2016-09-01

    Icosapent ethyl is a high-purity prescription form of eicosapentaenoic acid (EPA) ethyl ester approved at a dose of 4g/day as an adjunct to diet to reduce triglyceride (TG) levels in adult patients with severe (≥500mg/dL) hypertriglyceridemia. This post-hoc exploratory analysis examined the relationship of icosapent ethyl dose with EPA concentrations in plasma and red blood cells (RBCs) across 3 clinical studies-a phase 1 pharmacokinetic study in healthy adult volunteers and 2 pivotal phase 3 studies (MARINE and ANCHOR) in adult patients with hypertriglyceridemia-and examined the relationship between EPA levels and TG-lowering effects in MARINE and ANCHOR. In all 3 studies, icosapent ethyl produced dose-dependent increases in the concentrations of EPA in plasma and RBCs. In both MARINE and ANCHOR, these dose-dependent EPA increases correlated with the degree of TG level lowering (all P170μg/mL and>70μg/mL, respectively. These studies support icosapent ethyl as producing predictable dose-dependent pharmacokinetics/pharmacodynamics, with TG level lowering dependent upon icosapent ethyl dose and EPA concentrations in plasma and RBCs. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

  8. Probabilistic dietary exposure to ethyl carbamate from fermented foods and alcoholic beverages in the Korean population.

    Science.gov (United States)

    Choi, B; Ryu, D; Kim, C-I; Lee, J-Y; Choi, A; Koh, E

    2017-09-04

    The occurrence of ethyl carbamate was investigated in fermented foods and alcoholic beverages of the Korean total diet study. The concentrations of ethyl carbamate ranged from not detected to 166.5 μg kg(-1). Dietary exposure to ethyl carbamate was estimated by the probabilistic method. Estimated intakes of ethyl carbamate from foods and alcoholic beverages were 4.12 ng kg(-1) body weight (bw) per day for average consumers and 12.37 ng kg(-1) bw/day for 95th percentile high consumers. The major foods contributing to ethyl carbamate exposure were soy sauce (63%), followed by maesilju (plum liqueur, 30%), whisky (5%), and bokbunjaju (black raspberry wine, 2%). On the basis of the benchmark dose lower confidence limit 10% (BMDL10) of 0.3 mg kg(-1) bw/day, margins of exposure were 128,000 for mean exposure and 40,000 for 95th percentile exposure. This indicates that the exposure of the Korean general population for ethyl carbamate is of low concern. However, careful vigilance should be continued for high consumers of fermented foods and alcoholic beverages.

  9. Effect of ethyl pyruvate on skeletal muscle metabolism in rats fed on a high fat diet.

    Science.gov (United States)

    Olek, Robert A; Ziolkowski, Wieslaw; Wierzba, Tomasz H; Kaczor, Jan J

    2013-07-01

    Impaired mitochondrial capacity may be implicated in the pathology of chronic metabolic diseases. To elucidate the effect of ethyl pyruvate supplementation on skeletal muscles metabolism we examined changes in activities of mitochondrial and antioxidant enzymes, as well as sulfhydryl groups oxidation (an indirect marker of oxidative stress) during the development of obesity. After 6 weeks feeding of control or high fat diet, Wistar rats were divided into four groups: control diet, control diet and ethyl pyruvate, high fat diet, and high fat diet and ethyl pyruvate. Ethyl pyruvate was administered as 0.3% solution in drinking water, for the following 6 weeks. High fat diet feeding induced the increase of activities 3-hydroxyacylCoA dehydrogenase, citrate synthase, and fumarase. Moreover, higher catalase and superoxide dismutase activities, as well as sulfhydryl groups oxidation, were noted. Ethyl pyruvate supplementation did not affect the mitochondrial enzymes' activities, but induced superoxide dismutase activity and sulfhydryl groups oxidation. All of the changes were observed in soleus muscle, but not in extensor digitorum longus muscle. Additionally, positive correlations between fasting blood insulin concentration and activities of catalase (p = 0.04), and superoxide dismutase (p = 0.01) in soleus muscle were noticed. Prolonged ethyl pyruvate consumption elevated insulin concentration, which may cause modifications in oxidative type skeletal muscles.

  10. Study of Degradation Kinetics of Parathion Methyl On Mixed Nanocrystalline Titania-Zirconium and Titania-Cerium Oxides

    Science.gov (United States)

    Kuráň, Pavel; Pšenička, Martin; Šťastný, Martin; Benkocká, Monika; Janoš, Pavel

    2016-10-01

    The unique surface properties of some nanocrystalline metal oxides and their application for removal of various toxic compounds were reported in early 1990s. Recently, a reliable method for the preparation of reactive cerium dioxide sorbent and its application for degradation of the organophosphate pesticides, such as parathion methyl, chlorpyrifos, dichlofenthion, fenchlorphos, and prothiofos, as well as of some chemical warfare agents-nerve gases soman and O-ethyl S-[2-(diisopropylamino) ethyl] methylphosphonothioate (VX) was published. This paper reports on the kinetics study of degradation of parathion methyl as a representative organophosphate on nanocrystalline metal oxides TiO2, ZrO2, CeO2 and their mixtures in different molar ratios of particular elements. The tested sorbents except of CeO2 were prepared by different methods (e.g. sol-gel, precipitation) in cooperation with Institute of Inorganic Chemistry (Rez, Czech Republic). The degradation kinetics of parathion methyl on tested sorbents was followed by HPLC equipped with diode array detector. The basic kinetics parameters (half-lives of parathion methyl degradation, rate constants of degradation product formation) were calculated for each sorbent from Weber-Morris equation of 1st order diffusion kinetic model. The results proved the ability of prepared sorbents to degrade parathion methyl under formation of 4-nitrophenol as the main degradation product. The most efficient sorbents were TiCe (2:8), TiCe (1:1), TiCe (0:1) (50-70 %) followed by TiZr (1:1), TiCe (8:2), TiZr (8:2), TiZr (2:8) (20-30%) and TiO2, ZrO2 (less than 5 %).

  11. Cap analog substrates reveal three clades of cap guanine-N2 methyltransferases with distinct methyl acceptor specificities.

    Science.gov (United States)

    Benarroch, Delphine; Jankowska-Anyszka, Marzena; Stepinski, Janusz; Darzynkiewicz, Edward; Shuman, Stewart

    2010-01-01

    The Tgs proteins are structurally homologous AdoMet-dependent eukaryal enzymes that methylate the N2 atom of 7-methyl guanosine nucleotides. They have an imputed role in the synthesis of the 2,2,7-trimethylguanosine (TMG) RNA cap. Here we exploit a collection of cap-like substrates to probe the repertoire of three exemplary Tgs enzymes, from mammalian, protozoan, and viral sources, respectively. We find that human Tgs (hTgs1) is a bona fide TMG synthase adept at two separable transmethylation steps: (1) conversion of m(7)G to m(2,7)G, and (2) conversion of m(2,7)G to m(2,2,7)G. hTgs1 is unable to methylate G or m(2)G, signifying that both steps require an m(7)G cap. hTgs1 utilizes a broad range of m(7)G nucleotides, including mono-, di-, tri-, and tetraphosphate derivatives as well as cap dinucleotides with triphosphate or tetraphosphate bridges. In contrast, Giardia lamblia Tgs (GlaTgs2) exemplifies a different clade of guanine-N2 methyltransferase that synthesizes only a dimethylguanosine (DMG) cap structure and cannot per se convert DMG to TMG under any conditions tested. Methylation of benzyl(7)G and ethyl(7)G nucleotides by hTgs1 and GlaTgs2 underscored the importance of guanine N7 alkylation in providing a key pi-cation interaction in the methyl acceptor site. Mimivirus Tgs (MimiTgs) shares with the Giardia homolog the ability to catalyze only a single round of methyl addition at guanine-N2, but is distinguished by its capacity for guanine-N2 methylation in the absence of prior N7 methylation. The relaxed cap specificity of MimiTgs is revealed at alkaline pH. Our findings highlight both stark and subtle differences in acceptor specificity and reaction outcomes among Tgs family members.

  12. Histone Methylation by Temozolomide; A Classic DNA Methylating Anticancer Drug

    Science.gov (United States)

    Pickard, Amanda J.; Diaz, Anthony Joseph; Mura, Hugo; Nyuwen, Lila; Coello, Daniel; Sheva, Saif; Maria, Nava; Gallo, James M.; Wang, Tieli

    2017-01-01

    Background/Aim The alkylating agent, temozolomide (TMZ), is considered the standard-of-care for high-grade astrocytomas –known as glioblastoma multiforme (GBM)– an aggressive type of tumor with poor prognosis. The therapeutic benefit of TMZ is attributed to formation of DNA adducts involving the methylation of purine bases in DNA. We investigated the effects of TMZ on arginine and lysine amino acids, histone H3 peptides and histone H3 proteins. Materials and Methods Chemical modification of amino acids, histone H3 peptide and protein by TMZ was performed in phosphate buffer at physiological pH. The reaction products were examined by mass spectrometry and western blot analysis. Results Our results showed that TMZ following conversion to a methylating cation, can methylate histone H3 peptide and histone H3 protein, suggesting that TMZ exerts its anticancer activity not only through its interaction with DNA, but also through alterations of protein post-translational modifications. Conclusion The possibility that TMZ can methylate histones involved with epigenetic regulation of protein indicates a potentially unique mechanism of action. The study will contribute to the understanding the anticancer activity of TMZ in order to develop novel targeted molecular strategies to advance the cancer treatment. PMID:27354585

  13. Injúria potencial de herbicidas de solo ao girassol: II - chlorimuron-ethyl Potential suflower injury by soil applied herbicides: II - chlorimuron-ethyl

    Directory of Open Access Journals (Sweden)

    Nilson G. Fleck

    1993-01-01

    Full Text Available Conduziu-se um ensaio de campo na Estação Experimental Agronômica da Universidade Federal do Rio Grande do Sul, em Eldorado do Sul, RS em 1989/90. O objetivo do trabalho foi determinar o efeito residual potencial do herbicida chlorimuron-ethyl aplicado em três doses à superficie do solo (PRE ou incorporado no mesmo (PPI, sobre a cultura de girassol. A atividade de chlorimuron-ethyl (etil 2-((((4-cloro-6-metoxipirimidina-2 ilaminocarbonilaminosulfonilbenzoato não foi dependente de sua posição no solo. Chlorimuron-ethyl promoveu injúria inicial acentuada, constatando-se pouca ou nenhuma resposta ao aumento da dose para matéria seca da parte aérea do girassol, área foliar e estatura das plântulas. Contudo, avaliação de estatura das plantas, realizada na maturação fisiológica, indicou que os danos promovidos pelo herbicida reduziram-se com o decorrer do tempo. Concluiu-se que, aparentemente, num sistema de sucessão soja-girassol, o efeito residual potencial de chlorimuron-ethyl ao girassol é pequeno.A field experiment was carried out during 1989/90 at the Eldorado do Sul Experimental Station of Federal University of Rio Grande do Sul, Brazil with the objective of evaluating potencial injury to sunflower by chlorimuron-ethyl applied at three different dosages in pre-emergence (PRE or preplant incorporated (PPI. Chlorimuron-ethyl activity was not dependent on the application method. Early in the season there were higher levels of injury to the plants, with little or no response to dosages with regard to shoot weight, leaf area and seedling size. However, plant height assessed late in the season indicated recovery from initial symptoms. Apparently, chlorimuron-ethyl injury to sunflower is limited in a rotation soybean-sunflower.

  14. Chemical Constituents in Ethyl Acetate Extracts from Mentha haplocalyx%薄荷乙酸乙酯提取部位的化学成分

    Institute of Scientific and Technical Information of China (English)

    李明亮; 徐凌玉; 李振麟; 钱士辉; 李艺; 秦民坚

    2013-01-01

    从薄荷乙酸乙酯提取部位分离鉴定了8个化合物,分别为委陵菜酸(tormentic acid,1),野椿酸(euscaphic acid,2),乌苏酸(ursolic acid,3),齐墩果酸(oleanolic acid,4),尿嘧啶(uracil,5),琥珀酸(succinic acid,6),(9E)-8,11,12-trihydroxyoctadecenoic acid methyl ester(7),neoechinulin A(8).化合物1,2,5,6为首次从该植物中分到;7和8为在唇形科中首次分到.%Eight compounds were isolated in ethyl acetate extracts from Mentha haplocalyx Briq. Their structures were identified as tormentic acid (1), euscaphic acid (2), ursolic acid (3), oleanolic acid (4), uracil (5), succinic acid (6), (9E)-8, 11, 12-trihydroxyoctadecenoic acid methyl ester (7) and neoechinulin A (8). Compounds 1, 2, 5, and 6 were isolated from this plant for the first time. Compounds 7 and 8 were the first isolated from the family of Lamicaeae.

  15. Determination of benomyl, diphenyl, o-phenylphenol, thiabendazole, chlorpyrifos, methidathion, and methyl parathion in oranges by solid-phase extraction, liquid chromatography, and gas chromatography.

    Science.gov (United States)

    Yamazaki, Y; Ninomiya, T

    1999-01-01

    A simple and rapid method was developed for determination of benomyl, diphenyl (DP), o-phenylphenol (OPP), thiabendazole (TBZ), chlorpyrifos, methidathion, and methyl parathion in whole oranges. These compounds were extracted from a mixture of samples and anhydrous sodium acetate with ethyl acetate. The ethyl acetate extract was concentrated and cleaned up by passing through tandem solid-phase extraction columns consisting of anion-exchange and primary/secondary amine bonded silica. The eluate was concentrated and volume was adjusted with methanol for subsequent liquid chromatography (LC) and gas chromatography (GC). Benomyl (as methyl-2-benzimidazole carbamate, MBC), DP, OPP, and TBZ residues were determined by LC with fluorescence detection. Recoveries at 3 fortified levels (0.1, 1, and 10 micrograms/g) ranged from 63.9 to 97.4%, with coefficients of variation (CVs) of 1.6 to 15.5%. Limits of detection (LODs) were 0.01 microgram/g for DP, OPP, TBZ and 0.05 microgram/g for benomyl. Chlorpyrifos, methidathion, and methyl parathion residues were determined by GC with flame photometric detection. Recoveries ranged from 90.4 to 97.0%, with CVs of 2.1 to 5.9%. LODs were 0.005 microgram/g for chlorpyrifos and methyl parathion, and 0.01 microgram/g for methidathion.

  16. Ethyl Pyruvate Ameliorates Hepatic Ischemia-Reperfusion Injury by Inhibiting Intrinsic Pathway of Apoptosis and Autophagy

    Directory of Open Access Journals (Sweden)

    Miao Shen

    2013-01-01

    Full Text Available Background. Hepatic ischemia-reperfusion (I/R injury is a pivotal clinical problem occurring in many clinical conditions such as transplantation, trauma, and hepatic failure after hemorrhagic shock. Apoptosis and autophagy have been shown to contribute to cell death in hepatic I/R injury. Ethyl pyruvate, a stable and simple lipophilic ester, has been shown to have anti-inflammatory properties. In this study, the purpose is to explore both the effect of ethyl pyruvate on hepatic I/R injury and regulation of intrinsic pathway of apoptosis and autophagy. Methods. Three doses of ethyl pyruvate (20 mg/kg, 40 mg/kg, and 80 mg/kg were administered 1 h before a model of segmental (70% hepatic warm ischemia was established in Balb/c mice. All serum and liver tissues were obtained at three different time points (4 h, 8 h, and 16 h. Results. Alanine aminotransferase (ALT, aspartate aminotransferase (AST, and pathological features were significantly ameliorated by ethyl pyruvate (80 mg/kg. The expression of Bcl-2, Bax, Beclin-1, and LC3, which play an important role in the regulation of intrinsic pathway of apoptosis and autophagy, was also obviously decreased by ethyl pyruvate (80 mg/kg. Furthermore, ethyl pyruvate inhibited the HMGB1/TLR4/ NF-κb axis and the release of cytokines (TNF-α and IL-6. Conclusion. Our results showed that ethyl pyruvate might attenuate to hepatic I/R injury by inhibiting intrinsic pathway of apoptosis and autophagy, mediated partly through downregulation of HMGB1/TLR4/ NF-κb axis and the competitive interaction with Beclin-1 of HMGB1.

  17. Methyl 3-(4-methylbenzylidenecarbazate

    Directory of Open Access Journals (Sweden)

    Yu-Feng Li

    2010-06-01

    Full Text Available The title compound, C10H12N2O2, was prepared by the reaction of methyl carbazate and 4-methylbenzaldehyde. The dihedral angle between the benzene ring and the carbazate fragment is 20.86 (10°. In the crystal structure, molecules are linked by intermolecular N—H...O hydrogen bonds.

  18. Bacterial production of methyl ketones

    Energy Technology Data Exchange (ETDEWEB)

    Beller, Harry R.; Goh, Ee-Been

    2017-01-31

    The present invention relates to methods and compositions for increasing production of methyl ketones in a genetically modified host cell that overproduces .beta.-ketoacyl-CoAs through a re-engineered .beta.-oxidation pathway and overexpresses FadM.

  19. Water Column Methylation in Estuaries

    Science.gov (United States)

    Schartup, A. T.; Calder, R.; Soerensen, A. L.; Mason, R. P.; Balcom, P. H.; Sunderland, E. M.

    2014-12-01

    Methylmercury (MeHg) is a neurotoxin that bioaccumulates in aquatic food webs and affects humans and wildlife through fish consumption. Many studies have measured active methylation/demethylation in ocean margin sediments but few have reported similar rates for the marine water column. This presentation will review available evidence for water column methylation in estuaries, including new experimental measurements of methylation/demethylation rates from a deep subarctic fjord in Labrador Canada collected in Spring and Fall of 2012-2013. We used these and other data to construct a mass budget for MeHg in the estuary and show that water column methylation (with rates ranging from 1.5 to 2.8 % day-1), is the largest contributor, followed by inputs from rivers (4.9 mol year-1), to the in situ pool of MeHg available for uptake by biota. By contrast, the sediment in this system is a net sink for MeHg (-1.5 mol year-1). We discuss the relationship between observed MeHg and other ancillary environmental factors (organic carbon, sulfur and nutrients) as well as implications for the response time of fish to future changes in mercury inputs.

  20. Electronic transport in methylated fragments of DNA

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, M. L. de; Oliveira, J. I. N.; Lima Neto, J. X.; Gomes, C. E. M.; Fulco, U. L., E-mail: umbertofulco@gmail.com; Albuquerque, E. L. [Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970 Natal-RN (Brazil); Freire, V. N. [Departamento de Física, Universidade Federal do Ceará, 60455-760 Fortaleza, CE (Brazil); Caetano, E. W. S. [Instituto Federal de Educação, Ciência e Tecnologia do Ceará, 60040-531 Fortaleza, CE (Brazil); Moura, F. A. B. F. de; Lyra, M. L. [Instituto de Física, Universidade Federal de Alagoas, 57072-900 Maceió-AL (Brazil)

    2015-11-16

    We investigate the electronic transport properties of methylated deoxyribonucleic-acid (DNA) strands, a biological system in which methyl groups are added to DNA (a major epigenetic modification in gene expression), sandwiched between two metallic platinum electrodes. Our theoretical simulations apply an effective Hamiltonian based on a tight-binding model to obtain current-voltage curves related to the non-methylated/methylated DNA strands. The results suggest potential applications in the development of novel biosensors for molecular diagnostics.