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Sample records for acetonitrile ethyl acetate

  1. Ethyl acetate

    Integrated Risk Information System (IRIS)

    Ethyl acetate ; CASRN 141 - 78 - 6 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Eff

  2. Mixture Toxicity of SN2-Reactive Soft Electrophiles: 3. Evaluation of Ethyl α-Halogenated Acetates with α-Halogenated Acetonitriles

    PubMed Central

    Pöch, G.; Schultz, T. W.

    2014-01-01

    Mixture toxicity for each of four ethyl α-halogenated acetates (ExACs) with each of three α-halogenated acetonitriles (xANs) was assessed. Inhibition of bioluminescence in Vibrio fischeri was measured after 15, 30 and 45-min of exposure. Concentration-response curves were developed for each chemical at each exposure duration and used to develop predicted concentration-response curves for the dose-addition and independence models of combined effect. Concentration-response curves for each mixture and each exposure duration were then evaluated against the predicted curves, using three metrics per model: 1) EC50-based additivity quotient (AQ) or independence quotient (IQ) values, 2) mean AQ (mAQ) or mean IQ (mIQ) values, calculated by averaging the EC25, EC50 and EC75 AQ or IQ values, and 3) deviation values from additivity (DV-A) or independence (DV-I). Mixture toxicity for ethyl iodoacetate (EIAC) was dose-additive with each of the xANs at all exposure durations and was often consistent with independence as well. The same was true for mixture toxicity of ethyl bromoacetate (EBAC) with each xAN. However, for the two more slowly reactive chemicals ethyl chloroacetate (ECAC) and ethyl fluoroacetate (EFAC) mixture toxicity with each xAN only became consistent with dose-addition upon increasing exposure duration. Consistency with independence for both ECAC and EFAC with the xANs was essentially limited to the EC50-IQ metric; thereby demonstrating the utility of calculating the mean quotient (mAQ, mIQ) and deviation value (DV-A, DV-I) metrics. Upon review of these findings with those from the first two papers in the series, the results suggest that instances in which mixture toxicity was not consistent with dose-addition relate: 1) to differences in the capability of the chemicals to form strong H-bonds with water and 2) to differences in relative reactivity and time-dependent toxicity levels of the chemicals. PMID:24368709

  3. 21 CFR 584.200 - Ethyl alcohol containing ethyl acetate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... Ethyl alcohol containing ethyl acetate. The feed additive ethyl alcohol containing ethyl acetate meets the requirement of 27 CFR 21.62, being not less than 92.5 percent ethyl alcohol, each 100 gallons... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Ethyl alcohol containing ethyl acetate....

  4. 21 CFR 584.200 - Ethyl alcohol containing ethyl acetate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... Ethyl alcohol containing ethyl acetate. The feed additive ethyl alcohol containing ethyl acetate meets the requirement of 27 CFR 21.62, being not less than 92.5 percent ethyl alcohol, each 100 gallons... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Ethyl alcohol containing ethyl acetate....

  5. 21 CFR 584.200 - Ethyl alcohol containing ethyl acetate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... Ethyl alcohol containing ethyl acetate. The feed additive ethyl alcohol containing ethyl acetate meets the requirement of 27 CFR 21.62, being not less than 92.5 percent ethyl alcohol, each 100 gallons... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Ethyl alcohol containing ethyl acetate....

  6. 21 CFR 584.200 - Ethyl alcohol containing ethyl acetate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Ethyl alcohol containing ethyl acetate. The feed additive ethyl alcohol containing ethyl acetate meets the requirement of 27 CFR 21.62, being not less than 92.5 percent ethyl alcohol, each 100 gallons... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Ethyl alcohol containing ethyl acetate....

  7. 21 CFR 584.200 - Ethyl alcohol containing ethyl acetate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... Ethyl alcohol containing ethyl acetate. The feed additive ethyl alcohol containing ethyl acetate meets the requirement of 27 CFR 21.62, being not less than 92.5 percent ethyl alcohol, each 100 gallons... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Ethyl alcohol containing ethyl acetate....

  8. [Degradation of thiometon in ethyl acetate].

    PubMed

    Satoh, M; Shimokawa, S; Kobata, M; Tanaka, T; Nakanishi, Y

    2001-04-01

    When performing multiresidue analysis of pesticides, the recovery of thiometon was less than 20% from carrots and eggplants, but about 100% from garlic chives and welsh onions. The recovery of thiometon was found to depend on the lot of ethyl acetate. A 2-year-old lot of ethyl acetate caused degradation of thiometon, but a fresh lot of ethyl acetate did not. Analysis showed that ethyl acetate stored for 2 years contained about 5 microL/mL of acetaldehyde. Thiometon was also degraded by acetone or acetonitrile, when acetaldehyde was added to them, in the same manner as by aged ethyl acetate. The fact that the recovery of thiometon from welsh onions was about 100% indicated that some of the mercaptans in allium vegetables may prevent thiometon degradation. Mercaptans such as L-cysteine and 3-mercaptoproionic acid were confirmed to prevent the degradation of thiometon and disulfoton. These findings show that mercaptans may be useful additives for analyzing thiometon and disulfoton. PMID:11486375

  9. 21 CFR 173.228 - Ethyl acetate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... the specifications of the Food Chemicals Codex, 1 (Ethyl Acetate; p. 372, 3d Ed., 1981), which are... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ethyl acetate. 173.228 Section 173.228 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR...

  10. Manufacturing Ethyl Acetate From Fermentation Ethanol

    NASA Technical Reports Server (NTRS)

    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.

  11. Acetonitrile

    Integrated Risk Information System (IRIS)

    Acetonitrile ; CASRN 75 - 05 - 8 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Effec

  12. Kinetics of Ethyl Acetate Synthesis Catalyzed by Acidic Resins

    ERIC Educational Resources Information Center

    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…

  13. Perspectives for the biotechnological production of ethyl acetate by yeasts.

    PubMed

    Löser, Christian; Urit, Thanet; Bley, Thomas

    2014-06-01

    Ethyl acetate is an environmentally friendly solvent with many industrial applications. The production of ethyl acetate currently proceeds by energy-intensive petrochemical processes which are based on natural gas and crude oil without exception. Microbial synthesis of ethyl acetate could become an interesting alternative. The formation of esters as aroma compounds in food has been repeatedly reviewed, but a survey which deals with microbial synthesis of ethyl acetate as a bulk product is missing. The ability of yeasts for producing larger amounts of this ester is known for a long time. In the past, this potential was mainly of scientific interest, but in the future, it could be applied to large-scale ester production from renewable raw materials. Pichia anomala, Candida utilis, and Kluyveromyces marxianus are yeasts which convert sugar into ethyl acetate with a high yield where the latter is the most promising one. Special attention was paid to the mechanism of ester synthesis including regulatory aspects and to the maximum and expectable yield. Synthesis of much ethyl acetate requires oxygen which is usually supplied by aeration. Ethyl acetate is highly volatile so that aeration results in its phase transfer and stripping. This stripping process cannot be avoided but requires adequate handling during experimentation and offers a chance for a cost-efficient process-integrated recovery of the synthesized ester. PMID:24788328

  14. Fragrance material review on 2-(p-tolyloxy)ethyl acetate.

    PubMed

    McGinty, D; Letizia, C S; Api, A M

    2012-09-01

    A toxicologic and dermatologic review of 2-(p-tolyloxy)ethyl acetate when used as a fragrance ingredient is presented. 2-(p-tolyloxy)ethyl 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 2-(p-tolyloxy)ethyl acetate were evaluated, then summarized, and includes physical properties 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. PMID:22414652

  15. Fragrance material review on ethyl phenyl carbinyl acetate.

    PubMed

    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. PMID:22433983

  16. Turbulent Motion in Ethyl Acetate-Water System

    NASA Astrophysics Data System (ADS)

    Ahmad, Jamil

    2000-09-01

    An overhead projector demonstration is described in which 4 mL of ethyl acetate is added to 10 mL of water contained in a 10-cm diameter Petri dish. Within a minute or so of the addition, image of a turbulent motion appears on the screen, at first at a few centers that eventually organize themselves in a line. The image of the line of turbulence is quite striking and resembles a moving front of dancing flames. The phenomenon arises because as ethyl acetate evaporates from the region where it has spread in the form of a monolayer, fresh material gets transferred to take its place. Because of the viscosity effects, this transfer of the surface film causes movement in the bulk of the material as well, making the process visible.

  17. Physiologically based pharmacokinetic modeling of ethyl acetate and ethanol in rodents and humans.

    PubMed

    Crowell, S R; Smith, J N; Creim, J A; Faber, W; Teeguarden, J G

    2015-10-01

    A physiologically based pharmacokinetic (PBPK) model was developed and applied to a metabolic series approach for the ethyl series (i.e., ethyl acetate, ethanol, acetaldehyde, and acetate). This approach bases toxicity information on dosimetry analyses for metabolically linked compounds using pharmacokinetic data for each compound and toxicity data for parent or individual compounds. In vivo pharmacokinetic studies of ethyl acetate and ethanol were conducted in rats following IV and inhalation exposure. Regardless of route, ethyl acetate was rapidly converted to ethanol. Blood concentrations of ethyl acetate and ethanol following both IV bolus and infusion suggested linear kinetics across blood concentrations from 0.1 to 10 mM ethyl acetate and 0.01-0.8 mM ethanol. Metabolic parameters were optimized and evaluated based on available pharmacokinetic data. The respiratory bioavailability of ethyl acetate and ethanol were estimated from closed chamber inhalation studies and measured ventilation rates. The resulting ethyl series model successfully reproduces blood ethyl acetate and ethanol kinetics following IV administration and inhalation exposure in rats, and blood ethanol kinetics following inhalation exposure to ethanol in humans. The extrapolated human model was used to derive human equivalent concentrations for the occupational setting of 257-2120 ppm ethyl acetate and 72-517 ppm ethyl acetate for continuous exposure, corresponding to rat LOAELs of 350 and 1500 ppm. PMID:26297692

  18. Acetic acid removal from corn stover hydrolysate using ethyl acetate and the impact on Saccharomyces cerevisiae bioethanol fermentation.

    PubMed

    Aghazadeh, Mahdieh; Ladisch, Michael R; Engelberth, Abigail S

    2016-07-01

    Acetic acid is introduced into cellulose conversion processes as a consequence of composition of lignocellulose feedstocks, causing significant inhibition of adapted, genetically modified and wild-type S. cerevisiae in bioethanol fermentation. While adaptation or modification of yeast may reduce inhibition, the most effective approach is to remove the acetic acid prior to fermentation. This work addresses liquid-liquid extraction of acetic acid from biomass hydrolysate through a pathway that mitigates acetic acid inhibition while avoiding the negative effects of the extractant, which itself may exhibit inhibition. Candidate solvents were selected using simulation results from Aspen Plus™, based on their ability to extract acetic acid which was confirmed by experimentation. All solvents showed varying degrees of toxicity toward yeast, but the relative volatility of ethyl acetate enabled its use as simple vacuum evaporation could reduce small concentrations of aqueous ethyl acetate to minimally inhibitory levels. The toxicity threshold of ethyl acetate, in the presence of acetic acid, was found to be 10 g L(-1) . The fermentation was enhanced by extracting 90% of the acetic acid using ethyl acetate, followed by vacuum evaporation to remove 88% removal of residual ethyl acetate along with 10% of the broth. NRRL Y-1546 yeast was used to demonstrate a 13% increase in concentration, 14% in ethanol specific production rate, and 11% ethanol yield. This study demonstrated that extraction of acetic acid with ethyl acetate followed by evaporative removal of ethyl acetate from the raffinate phase has potential to significantly enhance ethanol fermentation in a corn stover bioethanol facility. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:929-937, 2016. PMID:27090191

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

    SciTech Connect

    Tercero, B.; Cernicharo, J.; Lopez, A.; Caro, G. M. Munoz; Kleiner, I.; Nguyen, H. V. L. E-mail: jcernicharo@cab.inta-csic.es E-mail: munozcg@cab.inta-csic.es E-mail: nguyen@pc.rwth-aachen.de

    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.

  20. Lipase-mediated conversion of vegetable oils into biodiesel using ethyl acetate as acyl acceptor.

    PubMed

    Modi, Mukesh Kumar; Reddy, J R C; Rao, B V S K; Prasad, R B N

    2007-04-01

    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 annuus (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 12h at 50 degrees 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 in 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. PMID:16822671

  1. Screening of Methanol Extract and Ethyl Acetate Fraction of Abies webbiana Lindl. for Neuropharmacological Activities

    PubMed Central

    Parkash, O.; Kumar, D.; Kumar, S.

    2015-01-01

    Despite a long traditional of use of Abies webbiana Lindl. (Talispatra; family-Pinaceae) in the treatment of mental disorders, the plant has not been investigated systematically to validate its traditional claims. Thus, the present investigation was undertaken with an objective to investigate neuropharmacological activities of methanol extract of Abies webbiana aerial parts and its ethyl acetate fraction. Properly identified aerial parts were defatted with petroleum ether and then extracted with methanol in a Soxhlet apparatus. Ethyl acetate fraction was prepared by partitioning methanol extract with ethyl acetate using standard procedure. In acute toxicity study, no mortality was observed in animals after oral administration of 2 g/kg dose of methanol extract. The methanol extract (200 or 400 mg/kg, p.o.) and ethyl acetate fraction (25 or 50 mg/kg, p.o.) were evaluated for antianxiety, anticonvulsant, antidepressant, sedative, antistress and analgesic activities using well established models. The methanol extract and ethyl acetate fraction of Abies webbiana aerial parts exhibited significant antianxiety, anticonvulsant, antidepressant, sedative, antistress and analgesic activities with respect to control. Preliminary phytochemical screening showed presence of flavonoids in bioactive ethyl acetate fraction of Abies webbiana aerial parts. It is finally concluded that flavonoids are the bioactive constituents responsible for most of neuropharmacological activities of Abies webbiana. PMID:26798167

  2. Ethyl acetate-n-butanol gradient solvent system for high-speed countercurrent chromatography to screen bioactive substances in okra.

    PubMed

    Ying, Hao; Jiang, Heyuan; Liu, Huan; Chen, Fangjuan; Du, Qizhen

    2014-09-12

    High-speed countercurrent chromatographic separation (HSCCC) possesses the property of zero-loss of sample, which is very useful for the screening of bioactive components. In the present study, the ethyl acetate-n-butanol gradient HSCCC solvent system composed of n-hexane-ethyl acetate-n-butanol-water was investigated for the screening of bioactive substances. To screen the antiproliferative compounds in okra extract, we used the stationary phase ethyl acetate-n-butanol-water (1:1:10) as the stationary phase, and eluted the antiproliferative components by 6-steps of gradient using mobile phases n-hexane-ethyl acetate (1:2), n-hexane-ethyl acetate (1:4), n-hexane-ethyl acetate (0:4), n-butanol-ethyl acetate (1:4) n-butanol-ethyl acetate (1:2), n-butanol-ethyl acetate (2:2), and n-butanol-ethyl acetate (2:1). The fractions collected from HSCCC separation with the gradient solvent system were assayed for antiproliferative activity against cancer cells. Bioactive components were identified: a major anti-cancer compound, 4'-hydroxy phenethyl trans-ferulate, with middle activity, and a minor anti-cancer compound, carolignan, with strong activity. The result shows that the gradient solvent system is potential for the screening of bioactive compounds from natural products. PMID:25069743

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

    PubMed

    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. PMID:25742923

  4. Antihyperglycemic effect of Hypericum perforatum ethyl acetate extract on streptozotocin-induced diabetic rats

    PubMed Central

    Arokiyaraj, S; Balamurugan, R; Augustian, P

    2011-01-01

    Objective To evaluate the antihyperglycemic activity of ethyl acetate extract of Hypericum perforatum (H. perforatum) in streptozotocin (STZ)-induced diabetic rats. Methods Acute toxicity and oral glucose tolerance test were performed in normal rats. Male albino rats were rendered diabetic by STZ (40 mg/kg, intraperitoneally). H. perforatum ethyl acetate extract was orally administered to diabetic rats at 50, 100 and 200 mg/kg doses for 15 days to determine the antihyperglycemic activity. Biochemical parameters were determined at the end of the treatment. Results H. perforatum ethyl acetate extract showed dose dependant fall in fasting blood glucose (FBG). After 30 min of extract administration, FBG was reduced significantly when compared with normal rats. H. perforatum ethyl acetate extract produced significant reduction in plasma glucose level, serum total cholesterol, triglycerides, glucose-6-phosphatase levels. Tissue glycogen content, HDL-cholesterol, glucose-6-phosphate dehydrogenase were significantly increased compared with diabetic control. No death or lethal effect was observed in the toxic study. Conclusions The results demonstrate that H. perforatum ethyl acetate extract possesses potent antihyperglycemic activity in STZ induced diabetic rats. PMID:23569798

  5. Characterization and Antioxidant Properties of Six Algerian Propolis Extracts: Ethyl Acetate Extracts Inhibit Myeloperoxidase Activity

    PubMed Central

    Boufadi, Yasmina Mokhtaria; Soubhye, Jalal; Riazi, Ali; Rousseau, Alexandre; Vanhaeverbeek, Michel; Nève, Jean; Boudjeltia, Karim Zouaoui; Van Antwerpen, Pierre

    2014-01-01

    Because propolis contains many types of antioxidant compounds such as polyphenols and flavonoids, it can be useful in preventing oxidative damages. Ethyl acetate extracts of propolis from several Algerian regions show high activity by scavenging free radicals, preventing lipid peroxidation and inhibiting myeloperoxidase (MPO). By fractioning and assaying ethyl acetate extracts, it was observed that both polyphenols and flavonoids contribute to these activities. A correlation was observed between the polyphenol content and the MPO inhibition. However, it seems that kaempferol, a flavonoid, contributes mainly to the MPO inhibition. This molecule is in a high amount in the ethyl acetate extract and demonstrates the best efficiency towards the enzyme with an inhibiting concentration at 50% of 4 ± 2 μM. PMID:24514562

  6. Characterization and antioxidant properties of six Algerian propolis extracts: ethyl acetate extracts inhibit myeloperoxidase activity.

    PubMed

    Boufadi, Yasmina Mokhtaria; Soubhye, Jalal; Riazi, Ali; Rousseau, Alexandre; Vanhaeverbeek, Michel; Nève, Jean; Boudjeltia, Karim Zouaoui; Van Antwerpen, Pierre

    2014-01-01

    Because propolis contains many types of antioxidant compounds such as polyphenols and flavonoids, it can be useful in preventing oxidative damages. Ethyl acetate extracts of propolis from several Algerian regions show high activity by scavenging free radicals, preventing lipid peroxidation and inhibiting myeloperoxidase (MPO). By fractioning and assaying ethyl acetate extracts, it was observed that both polyphenols and flavonoids contribute to these activities. A correlation was observed between the polyphenol content and the MPO inhibition. However, it seems that kaempferol, a flavonoid, contributes mainly to the MPO inhibition. This molecule is in a high amount in the ethyl acetate extract and demonstrates the best efficiency towards the enzyme with an inhibiting concentration at 50% of 4 ± 2 µM. PMID:24514562

  7. Cytotoxic activities of ethyl acetate extract and a metabolite from a Monocillium species.

    PubMed

    Khondkar, Proma; Rahman, M Mukhlesur; Islam, Anwarul

    2005-09-01

    The ethyl acetate soluble fraction of a cultural broth of a Monocillium species afforded the isolation of 5-hydroxymethylfurfural. Both the extract and 5-hydroxymethylfurfural showed significant cytotoxic activities in a brine shrimp bioassay and the LC(50) values were found to be 14.96 microg/mL and 23.71 microg/mL, respectively. PMID:16220580

  8. Inhibitory activity of the ethyl acetate fraction from Viscum coloratum on bone resorption.

    PubMed

    Yin, Jun; Han, Na; Xu, Xinyang; Liu, Zhihui; Zhang, Baoyan; Kadota, Shigetoshi

    2008-02-01

    The effects of four fractions, a hexane fraction, an ethyl acetate fraction, an N-butanol fraction and a water fraction, from a water extract of Herba Visci were investigated to find the fraction, in IN VITRO experiments, with the greatest ability to inhibit the formation of osteoclast-like multinucleated cells from mouse bone marrow cells and also to inhibit (45)Ca release from a mouse parietal bone organ culture system. The ethyl acetate fraction was able to inhibit the formation of osteoclast-like cells in a dose-dependent manner and was also able to potently inhibit the release of (45)Ca even at a low concentration. Therefore, a further IN VIVO experiment was performed to determine if the ethyl acetate fraction had antiosteoporotic activity. It was found to inhibit the decreases in total and cancellous bone mineral density, in cancellous and cortical bone mineral content as well as in cortical bone thickness and in the X-axis strength index of tibiae of ovariectomized rats. The principle constituents of the ethyl acetate fraction were determined to be (+)-syringaresinol O- beta-glucopyranoside, 2-homoeriodictyol 7- O-glucoside and viscumneoside I by HPLC analysis. PMID:18247260

  9. Wound healing properties of ethyl acetate fraction of Moringa oleifera in normal human dermal fibroblasts

    PubMed Central

    Gothai, Sivapragasam; Arulselvan, Palanisamy; Tan, Woan Sean; Fakurazi, Sharida

    2016-01-01

    Background/Aim: Wounds are the outcome of injuries to the skin that interrupt the soft tissue. Healing of a wound is a complex and long-drawn-out process of tissue repair and remodeling in response to injury. A large number of plants are used by folklore traditions for the treatment of cuts, wounds and burns. Moringa oleifera (MO) is an herb used as a traditional folk medicine for the treatment of various skin wounds and associated diseases. The underlying mechanisms of wound healing activity of ethyl acetate fraction of MO leaves extract are completely unknown. Materials and Methods: In the current study, ethyl acetate fraction of MO leaves was investigated for its efficacy on cell viability, proliferation and migration (wound closure rate) in human normal dermal fibroblast cells. Results: Results revealed that lower concentration (12.5 µg/ml, 25 µg/ml, and 50 µg/ml) of ethyl acetate fraction of MO leaves showed remarkable proliferative and migratory effect on normal human dermal fibroblasts. Conclusion: This study suggested that ethyl acetate fraction of MO leaves might be a potential therapeutic agent for skin wound healing by promoting fibroblast proliferation and migration through increasing the wound closure rate corroborating its traditional use. PMID:27069722

  10. Antiplasmodial Properties and Bioassay-Guided Fractionation of Ethyl Acetate Extracts from Carica papaya Leaves

    PubMed Central

    Melariri, Paula; Campbell, William; Etusim, Paschal; Smith, Peter

    2011-01-01

    We investigated the antiplasmodial properties of crude extracts from Carica papaya leaves to trace the activity through bioassay-guided fractionation. The greatest antiplasmodial activity was observed in the ethyl acetate crude extract. C. papaya showed a high selectivity for P. falciparum against CHO cells with a selectivity index of 249.25 and 185.37 in the chloroquine-sensitive D10 and chloroquine-resistant DD2 strains, respectively. Carica papaya ethyl acetate extract was subjected to bioassay-guided fractionation to ascertain the most active fraction, which was purified and identified using high-pressure liquid chromatography (HPLC) and GC-MS (Gas chromatography-Mass spectrometry) methods. Linoleic and linolenic acids identified from the ethyl acetate fraction showed IC50 of 6.88 μg/ml and 3.58 μg/ml, respectively. The study demonstrated greater antiplasmodial activity of the crude ethyl acetate extract of Carica papaya leaves with an IC50 of 2.96 ± 0.14 μg/ml when compared to the activity of the fractions and isolated compounds. PMID:22174990

  11. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Acetic acid, 2-chloro-, 1-(3,3... 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)...

  12. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Acetic acid, 2-chloro-, 1-(3,3... 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)...

  13. Evaluation of ethyl acetate on three dimensions: investigation of behavioral, physiological and psychological indicators of adverse chemosensory effects.

    PubMed

    Kleinbeck, Stefan; Juran, Stephanie A; Kiesswetter, Ernst; Schäper, Michael; Blaszkewicz, Meinolf; Brüning, Thomas; van Thriel, Christoph

    2008-11-10

    A variety of national occupational exposure limits for ethyl acetate exist based on different studies, mostly relying on subjective evaluations of ethyl acetate as an irritant. Only one study also used physiological methods with inconsistent results in subjective and objective data. The present study was designed to investigate ethyl acetate on three different dimensions: behavioral, physiological and psychological indicators of adverse chemosensory effects were investigated during acute exposures to different concentrations of ethyl acetate. Twenty-four subjects were challenged with ethyl acetate in three exposure patterns (2 ppm, 400 ppm, 400 ppm including peaks of 800 ppm). While the odor intensity is rated "strong", trigeminal perceptions were rated less than "moderate". The absence of substantial trigeminal ratings was supported by physiological data. There was neither an effect of concentration on blinking frequency nor on nasal resistance which both are indicators of irritation. Furthermore, there are no effects of ethyl acetate concentration on behavioral measures indicating no olfactory or trigeminally mediated disturbance of cognitive processing. In conclusion, the results of this multilevel approach revealed no adverse chemosensory effects at ethyl acetate concentrations as recommended by the German MAK-value. PMID:18812215

  14. Molecular Interactions in 1-Ethyl-3-methylimidazolium Acetate Ion Pair: A Density Functional Study

    NASA Astrophysics Data System (ADS)

    Dhumal, Nilesh R.; Kim, Hyung J.; Kiefer, Johannes

    2009-08-01

    The density functional method is used to obtain the molecular structure, electron density topography, and vibrational frequencies of the ion pair 1-ethyl-3-methylimidazolium acetate. Different conformers are simulated on the basis of molecular interactions between the 1-ethyl-3-methylimidazolium cation and acetate anion. The lowest energy conformers exhibit strong C-H···O interionic interactions compared with other conformers. Characteristic vibrational frequencies of the ion pair and their shifts with respect to free ions are analyzed via the natural bond orbitals and difference electron density maps coupled with molecular electron density topology. Theoretically scaled vibrational frequencies are also compared with the spontaneous Raman scattering and attenuated total reflection infrared absorption measurements.

  15. Alternanthera sessilis Red Ethyl Acetate Fraction Exhibits Antidiabetic Potential on Obese Type 2 Diabetic Rats

    PubMed Central

    Tan, Kok Keong; Kim, Kah Hwi

    2013-01-01

    The antidiabetic potential of Alternanthera sessilis Red was investigated using the obese type 2 diabetic rats induced by high fat diet and streptozotocin. Three fractions (hexane, ethyl acetate, and water) were obtained from the crude ethanol extract of Alternanthera sessilis Red. Alternanthera sessilis Red ethyl acetate fraction (ASEAF) was found to possess the most potent antihyperglycemic effect through oral glucose tolerance test. The ASEAF was subsequently given to the diabetic rats for two weeks. It was found that two-week administration of ASEAF reduces the fasting blood glucose level, triglyceride level, and free fatty acid level of the rats. ASEAF-treated diabetic rats showed higher pancreatic insulin content and pancreatic total superoxide dismutase activity compared to the untreated diabetic rats. Also, the insulin sensitivity indexes suggested that ASEAF ameliorates the insulin resistant state of the diabetic rats. In conclusion, ASEAF could be developed into a potential antidiabetic agent for the management of type 2 diabetes. PMID:23606892

  16. Crystal structures of the solvates of diethylaminogossypol with ethyl acetate and pyridine

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The crystal structures of diethylaminogossypol with ethyl acetate (DEAG-EA) and pyridine (DEAG-P) were studied by room-temperature X-ray diffraction. The host-to-guest molecule ratio in these complexes is 2:1 for DEAG-EA and 2:5 for DEAG-P. The crystal and cell parameters for DEAG-EA are C34H40N2O6...

  17. Location and Mapping of an Ethyl Acetate Plume in Mexico City

    NASA Astrophysics Data System (ADS)

    Rogers, T.; Grimsrud, E.; Knighton, W.; Velasco, E.; Lamb, B.; Westberg, H.; Jobson, T.; Alexander, M.; Prazeller, P.; Herndon, S.; Kolb, C.

    2004-12-01

    A major goal of the 2003 Mexico City Metropolitan Area (MCMA) field campaign was to gain a better understanding of the dispersion and transport of volatile organic compounds (VOCs) in this urban airshed. Continuous monitoring of VOCs in the atmosphere and identification and quantification of their emission sources is complicated by two factors: first, there are hundreds of different VOC species released daily in the MCMA atmosphere, and second, few real time (1-10 second) measurement techniques have been available to provide the high resolution spatial and/or temporal data usually required to locate VOC emission sources and measure their flux strength. A relatively new technique, Proton Transfer Reaction Mass Spectometery (PTR-MS) provides this capability and was used to locate and quantify a significant source of ethyl acetate in the Iztapalapa region of Mexico City. Two PTR-MS systems were deployed during the 2003 MCMA campaign, the MSU PTR-MS was operated on-board the Aerodyne Mobile Laboratory while the PNNL instrument located on the roof at the National Center for Environmental Research and Training (Centro Nacional de Investigacion y Capacitacion Ambiental or CENICA). The uniqueness of the ethyl acetate signature allowed the MSU PTR-MS on-board the mobile lab to track the ethyl acetate plume back to its source. A short movie documenting the plume mapping and location of the source of the ethyl acetate emission will be shown. Knowing of the plume source location and the local meteorological conditions, the time resolved responses from the PNNL PTR-MS at the CENCIA location have been applied to a simple plume model to estimate the plume's emission flux strength.

  18. Two new cucurbitane-type triterpenoid saponins isolated from ethyl acetate extract of Citrullus colocynthis fruit.

    PubMed

    Song, Fei; Dai, Bin; Zhang, Hai-Yan; Xie, Jian-Wei; Gu, Cheng-Zhi; Zhang, Jie

    2015-01-01

    Two new cucurbitacins I (1 and 2), together with eight known compounds (3-10), were isolated from the ethyl acetate extract of the fruit of Citrullus colocynthis. Compounds 3, 5-9 were isolated from C. colocynthis for the first time. The structures of new compounds were determined primarily from IR, HR-MS, 1D-, and 2D-NMR analysis. PMID:25761128

  19. Phytochemical screening and anticonvulsant studies of ethyl acetate fraction of Globimetula braunii on laboratory animals

    PubMed Central

    Aliyu, Musa Mumammad; Musa, Abdullahi Isma'il; Kamal, Muhammad Ja'afar; Mohammed, Magaji Garba

    2014-01-01

    Objective To investigate the phytochemical properties and the anticonvulsant potential of the ethyl acetate soluble fraction of ethanol leaf extract of Globimetula braunii, a plant used in ethnomedicine for the treatment of epilepsy. Methods The phytochemical screening was carried out using standard protocol while the anticonvulsant activity was studied using maximal electroshock test in chicks, pentylenetetrazole and 4-aminopyridine-induced seizures in mice. Results The preliminary phytochemical screening carried out on the crude ethanol extract revealed the presence of saponins, carbohydrates, flavonoids, tannins, anthraquinones and steroids. Similarly, tannins, flavonoids and steroids/terpenes were found to be present in the ethyl acetate fraction. In the pharmacological screening, 150 mg/kg of the fraction protected 83.33% of animals against pentylenetetrazole-induced seizure in mice whereas sodium valproate a standard anti-epileptic drug offered 100% protection. In the 4-aminopyridine-induced seizure model, the fraction produced a significant (P<0.05) increase in the mean onset of seizure in unprotected animals. The fraction did not exhibit a significant activity against maximal electroshock convulsion. The median lethal dose of the fraction was found to be 1 261.91 mg/kg. Conclusions These results suggest that the ethyl acetate fraction of Globimetula braunii leaves extract possesses psychoactive compound that may be useful in the management of petit mal epilepsy and lend credence to the ethnomedical use of the plant in the management of epilepsy. PMID:25182552

  20. Yeast tolerance to the ionic liquid 1-ethyl-3-methylimidazolium acetate.

    PubMed

    Sitepu, Irnayuli R; Shi, Shuang; Simmons, Blake A; Singer, Steven W; Boundy-Mills, Kyria; Simmons, Christopher W

    2014-12-01

    Lignocellulosic plant biomass is the target feedstock for production of second-generation biofuels. Ionic liquid (IL) pretreatment can enhance deconstruction of lignocellulosic biomass into sugars that can be fermented to ethanol. Although biomass is typically washed following IL pretreatment, small quantities of residual IL can inhibit fermentative microorganisms downstream, such as the widely used ethanologenic yeast, Saccharomyces cerevisiae. The aim of this study was to identify yeasts tolerant to the IL 1-ethyl-3-methylimidazolium acetate, one of the top performing ILs known for biomass pretreatment. One hundred and sixty eight strains spanning the Ascomycota and Basidiomycota phyla were selected for screening, with emphasis on yeasts within or closely related to the Saccharomyces genus and those tolerant to saline environments. Based on growth in media containing 1-ethyl-3-methylimidazolium acetate, tolerance to IL levels ranging 1-5% was observed for 80 strains. The effect of 1-ethyl-3-methylimidazolium acetate concentration on maximum cell density and growth rate was quantified to rank tolerance. The most tolerant yeasts included strains from the genera Clavispora, Debaryomyces, Galactomyces, Hyphopichia, Kazachstania, Meyerozyma, Naumovozyma, Wickerhamomyces, Yarrowia, and Zygoascus. These yeasts included species known to degrade plant cell wall polysaccharides and those capable of ethanol fermentation. These yeasts warrant further investigation for use in saccharification and fermentation of IL-pretreated lignocellulosic biomass to ethanol or other products. PMID:25348480

  1. Effects of the Ethyl Acetate Fraction of Alchornea triplinervia on Healing Gastric Ulcer in Rats

    PubMed Central

    Lima, Zeila P.; Bonamin, Flavia; Calvo, Tamara R.; Vilegas, Wagner; Santos, Lourdes C.; Rozza, Ariane L.; Pellizzon, Claudia H.; Rocha, Lucia R. M.; Hiruma-Lima, Clélia A.

    2011-01-01

    Alchornea triplinervia (Spreng.) Muell. Arg (Euphorbiaceae) is a medicinal plant commonly used by people living in the Cerrado region of Brazil to treat gastrointestinal ulcers. We previously described the gastroprotective action of methanolic extract (ME) of Alchornea triplinervia and the ethyl acetate fraction (EAF) in increasing of prostaglandin E2 (PGE2) gastric levels in the mucosa. In this work we evaluated the effect of EAF in promoting the healing process in rats with acetic acid-induced gastric ulcers. In addition, toxicity was investigated during treatment with EAF. After 14 days of treatment with EAF, the potent stimulator of gastric cell proliferation contributed to the acceleration of gastric ulcer healing. Upon immunohistochemical analysis, we observed a pronounced expression of COX-2, mainly in the submucosal layer. The 14-day EAF treatment also significantly increased the number of neutrophils in the gastric mucosa regeneration area. The EAF induced angiogenesis on gastric mucosa, observed as an increase of the number of blood vessels supplying the stomach in rats treated with EAF. Oral administration for 14 days of the ethyl acetate fraction from Alchornea triplinervia accelerated the healing of gastric ulcers in rats by promoting epithelial cell proliferation, increasing the number of neutrophils and stimulation of mucus production. This fraction, which contained mainly phenolic compounds, contributed to gastric mucosa healing. PMID:26791640

  2. Analgesic and antiinflammatory activities of the ethyl acetate fraction of Bidens pilosa (Asteraceae).

    PubMed

    Fotso, Aurélien Fotso; Longo, Frida; Djomeni, Paul Désiré Dzeufiet; Kouam, Siméon Fogue; Spiteller, Michael; Dongmo, Alain Bertrand; Savineau, J P

    2014-04-01

    Bidens pilosa is an Asteraceae widely used in traditional medicine for the treatment of various ailments including pain and inflammation. The present work was undertaken to assess the analgesic and antiinflammatory properties of the ethyl acetate fraction of methylene chloride/methanol (1:1) extract of leaves of Bidens pilosa at the gradual doses of 50, 100 and 200 mg/kg in mice and rats, respectively. The analgesic properties of Bidens pilosa were investigated using the acetic acid writhing, hot plate, capsaicin and formalin-induced pain models. This was followed by a study of the antiinflammatory properties using carrageenan, dextran, histamine and serotonin to induce acute inflammation in rat hind paw. The extract provided a significant (p < 0.01) reduction in pain induced by all four models of nociception. It also presented significant (p < 0.05) antiinflammatory activity in all four models of acute inflammation. These results show that the ethyl acetate fraction of methylene chloride/methanol (1:1) of Bidens pilosa has both analgesic and antiinflammatory properties. The qualitative analysis of the fraction by the high-performance liquid chromatography (HPLC) fingerprint revealed the presence of two flavonoids, namely quercetin and iso-okanin, known to have antiinflammatory and antinociceptive properties, which could be responsible for the analgesic and antiinflammatory effects observed. PMID:24242914

  3. Simulating the vibrational spectra of ionic liquid systems: 1-Ethyl-3-methylimidazolium acetate and its mixtures

    NASA Astrophysics Data System (ADS)

    Thomas, Martin; Brehm, Martin; Hollóczki, Oldamur; Kelemen, Zsolt; Nyulászi, László; Pasinszki, Tibor; Kirchner, Barbara

    2014-07-01

    The vibrational spectra of the ionic liquid 1-ethyl-3-methylimidazolium acetate and its mixtures with water and carbon dioxide are calculated using ab initio molecular dynamics simulations, and the results are compared to experimental data. The new implementation of a normal coordinate analysis in the trajectory analyzer TRAVIS is used to assign the experimentally observed bands to specific molecular vibrations. The applied computational approaches prove to be particularly suitable for the modeling of bulk phase effects on vibrational spectra, which are highly important for the discussion of the microscopic structure in systems with a strong dynamic network of intermolecular interactions, such as ionic liquids.

  4. Simulating the vibrational spectra of ionic liquid systems: 1-ethyl-3-methylimidazolium acetate and its mixtures.

    PubMed

    Thomas, Martin; Brehm, Martin; Hollóczki, Oldamur; Kelemen, Zsolt; Nyulászi, László; Pasinszki, Tibor; Kirchner, Barbara

    2014-07-14

    The vibrational spectra of the ionic liquid 1-ethyl-3-methylimidazolium acetate and its mixtures with water and carbon dioxide are calculated using ab initio molecular dynamics simulations, and the results are compared to experimental data. The new implementation of a normal coordinate analysis in the trajectory analyzer TRAVIS is used to assign the experimentally observed bands to specific molecular vibrations. The applied computational approaches prove to be particularly suitable for the modeling of bulk phase effects on vibrational spectra, which are highly important for the discussion of the microscopic structure in systems with a strong dynamic network of intermolecular interactions, such as ionic liquids. PMID:25028030

  5. Antifungal and antioxidant activity of Crassocephalum bauchiense (Hutch.) Milne-Redh ethyl acetate extract and fractions (Asteraceae)

    PubMed Central

    2014-01-01

    Background Crassocephalum bauchiense is a flowering plant, found in the West Region of Cameroon. Previous studied has highlighted the antibacterial and the dermal toxicological safety as well as the immunomodulatory activities of the ethyl acetate extract of its dry leaves. As an extension of the previous researches, the current work has been undertaken to evaluate the in vitro antifungal and antioxidant activities of C. bauchiense dried leaves ethyl acetate extract and fractions. Methods The extract was obtained by maceration in ethyl acetate and further fractionated into six fractions labeled F1 to F6 by flash chromatography. The antifungal activity of the extract and fractions against yeasts and dermatophytes was evaluated using broth microdilution method. Antioxidant activity was evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH), nitric oxide (NO) and β-carotene - linoleic acid assays. Results The extract (MIC = 0.125 - 4 mg/ml) was found to be more active on dermatophytes and yeasts compared to the fractions. The ethyl acetate extract and fractions exhibited strong scavenging activity on DPPH (CI50 = 28.57 - 389.38 μg/ml). The fractions F3 and F6 expressed best antioxidant activity on DPPH radicals compared to the crude extract. Conclusion The results of these findings clearly showed that C. bauchiense ethyl acetate extract has a significant antifungal and antioxidant activity. It is therefore a source of active compounds that might be used as antifungal and antioxidant agents. PMID:24742210

  6. Nanofiltration of rhodium tris(triphenylphosphine) catalyst in ethyl acetate solution

    NASA Astrophysics Data System (ADS)

    Shaharun, Maizatul S.; Mustafa, Ahmad K.; Taha, Mohd F.

    2012-09-01

    Solvent resistant nanofiltration (SRNF) using polymer membranes has recently received enhanced attention due to the search for cleaner and more energy-efficient technologies. The large size of the rhodium tris(triphenylphosphine) [HRh(CO)(PPh3)3] catalyst (>400 Da) - relative to other components of the hydroformylation reaction provides the opportunity for a membrane separation based on retention of the catalyst species while permeating the solvent. The compatibility of the solvent-polyimide membrane (DuraMem{trade mark, serif} 200 and DuraMem{trade mark, serif} 500) combinations was assessed in terms of the membrane stability in solvent plus non-zero solvent flux at 2.0 MPa. Good HRh(CO)(PPh3)3 rejection (>0.95) and solvent fluxes of 9.9 L/m2ṡh1 at 2.0 MPa were obtained in the catalyst-ethyl acetate-DuraMem 500 system. The effect of pressure and catalyst concentration on the solvent flux and catalyst rejection was conducted on the catalyst-ethyl acetate-membrane systems. Increasing pressure substantially improved both solvent flux and catalyst rejection, while increasing catalyst concentration was found to be beneficial in terms of substantial increases in catalyst rejection without significantly affecting solvent flux.

  7. Studies on the mechanism of synthesis of ethyl acetate in Kluyveromyces marxianus DSM 5422.

    PubMed

    Löser, Christian; Urit, Thanet; Keil, Peter; Bley, Thomas

    2015-02-01

    Kluyveromyces marxianus converts whey-borne sugar into ethyl acetate, an environmentally friendly solvent with many applications. K. marxianus DSM 5422 presumably synthesizes ethyl acetate from acetyl-SCoA. Iron limitation as a trigger for this synthesis is explained by a diminished aconitase and succinate dehydrogenase activity (both enzymes depend on iron) causing diversion of acetyl-SCoA from the tricarboxic acid cycle to ester synthesis. Copper limitation as another trigger for ester synthesis in this yeast refers to involvement of the electron transport chain (all ETC complexes depend on iron and complex IV requires copper). This hypothesis was checked by using several ETC inhibitors. Malonate was ineffective but carboxin partially inhibited complex II and initiated ester synthesis. Antimycin A and cyanide as complexes III and IV inhibitors initiated ester synthesis only at moderate levels while higher concentrations disrupted all respiration and caused ethanol formation. A restricted supply of oxygen (the terminal electron acceptor) also initiated some ester synthesis but primarily forced ethanol production. A switch from aerobic to anaerobic conditions nearly stopped ester synthesis and induced ethanol formation. Iron-limited ester formation was compared with anaerobic ethanol production; the ester yield was lower than the ethanol yield but a higher market price, a reduced number of process stages, a faster process, and decreased expenses for product recovery by stripping favor biotechnological ester production. PMID:25487884

  8. Enrichment, isolation and characterization of fungi tolerant to 1-ethyl-3-methylimidazolium acetate

    SciTech Connect

    Singer, S.W.; Reddy, A. P.; Gladden, J. M.; Guo, H.; Hazen, T.C.; Simmons, B. A.; VanderGheynst, J. S.

    2010-12-15

    This work aims to characterize microbial tolerance to 1-ethyl-3-methylimidazolium acetate ([C2mim][OAc]), ionic liquid that has emerged as a novel biomass pretreatment for lignocellulosic biomass. Enrichment experiments performed using inocula treated with [C2mim][OAc] under solid and liquid cultivation yielded fungal populationsdominated by Aspergilli. Ionic liquid-tolerant Aspergillus isolates from these enrichments were capable of growing in a radial plate growth assay in the presence of 10% [C2mim][OAc]. When a [C2mim][OAc]-tolerant Aspergillus fumigatus strain was grown in the presence of switchgrass, endoglucanases and xylanases were secreted that retained residual enzymatic activity in the presence of 20% [C2mim][OAc]. The results of the study suggest tolerance to ionic liquids is a general property of Aspergilli. Tolerance to an industrially important ionic liquid was discovered in a fungal genera that is widely used in biotechnology, including biomass deconstruction.

  9. Preparation of corn starch-g-polystyrene copolymer in ionic liquid: 1-ethyl-3-methylimidazolium acetate.

    PubMed

    Men, Yongjun; Du, Xiyan; Shen, Jianan; Wang, Leli; Liu, Zhengping

    2015-05-01

    The copolymer of starch grafted with polystyrene (starch-g-PS) was synthesized with high grafting percentage by utilizing the ionic liquid 1-ethyl-3-methylimidazolium acetate ([EMIM]Ac) as solvent and potassium persulfate as initiator. The effect of various parameters upon the polymerization were studied including: initiator concentration, styrene:starch weight ratio, the reaction time and temperature. Grafting percentages were calculated using an FT-IR calibration method, with values up to 114%. The resulting copolymer was characterized using FT-IR, SEM, WAXD and TGA, which demonstrated that polystyrene side chains were evenly distributed on the starch backbone. Our results indicate that ionic liquid dissolution of starch, prior to polystyrene grafting, is a versatile methodology for the synthesis of amphiphilic, polysaccharide-based graft copolymers, having high grafting percent. PMID:25659709

  10. Influence of water on swelling and dissolution of cellulose in 1-ethyl-3-methylimidazolium acetate.

    PubMed

    Olsson, Carina; Idström, Alexander; Nordstierna, Lars; Westman, Gunnar

    2014-01-01

    In this study the effect of residual coagulation medium (water) on cellulose dissolution in an ionic liquid is discussed. Solubility of dissolving grade pulp; HWP and SWP, and microcrystalline cellulose in binary solvents, mixtures of 1-ethyl-3-methyl-imidazolium acetate and water, was investigated by turbidity measurements, light microscopy, rheometry, and CP/MAS (13)C-NMR spectroscopy. The viscoelastic properties of the cellulose solutions imply that residual water affect the cellulose dissolution. However, it is not obvious that this always necessarily poses serious drawbacks for the solution properties or that the effects are as severe as previously believed. Turbidity measurements, viscosity data and crystallinity of the regenerated cellulose correlated well and an increased conversion to cellulose II was found at low water and cellulose contents with an apparent maximum of conversion at 2-5 wt% water. At high water content, above 10 wt%, dissolution and conversion was largely inhibited. PMID:24274528

  11. Glucosamine condensation catalyzed by 1-ethyl-3-methylimidazolium acetate: mechanistic insight from NMR spectroscopy.

    PubMed

    Jia, Lingyu; Pedersen, Christian Marcus; Qiao, Yan; Deng, Tiansheng; Zuo, Pingping; Ge, Wenzhi; Qin, Zhangfeng; Hou, Xianglin; Wang, Yingxiong

    2015-09-21

    The basic ionic liquid 1-ethyl-3-methylimidazolium acetate ([C2C1Im][OAc]) could efficiently catalyze the conversion of 2-amino-2-deoxy-d-glucose (GlcNH2) into deoxyfructosazine (DOF) and fructosazine (FZ). Mechanistic investigation by NMR studies disclosed that [C2C1Im][OAc], exhibiting strong hydrogen bonding basicity, could coordinate with the hydroxyl and amino groups of GlcNH2via the promotion of hydrogen bonding in bifunctional activation of substrates and further catalyzing product formation, based on which a plausible reaction pathway involved in this homogeneous base-catalyzed reaction was proposed. Hydrogen bonding as an activation force, therefore, is responsible for the remarkable selectivity and rate enhancement observed. PMID:26278065

  12. Ethyl acetate extracts of Fructus Ligustri Lucide induce cell apoptosis in human neuroglioma cell

    PubMed Central

    Guo, Yun-Bao; Shao, Yi-Meng; Chen, Jing; Xu, Song-Bai; Zhang, Xing-Dong; Liu, Hai-Yan

    2015-01-01

    Objective: Previous studies have shown that Fructus Ligustri Lucide (FLL) can be used to improve the tumor cells sensitivity to chemotherapeutics and promote cell death. However, the mechanism by which FLL mediate this effect is unclear. In the present study, ethyl acetate extracts of FLL induced cell apoptosis in human neuroglioma cell was investigated. Methods: The cell viability was detected by the CCK8 assay. The cell apoptosis was assessed by annexin V-PI double-labeling staining and hoechst 33342 staining. The protein expression of cell cycle regulators and tumor suppressors were analyzed by western blotting. Results: Treatment of human neuroglioma cell with FLL induced cell death in a dose-and time-dependent manner by using CCK8 assay. Consistent with the CCK8 assay, the flow cytometry results showed that the proportion of the early and terminal phase of apoptosis cells had gained after FLL treatment as compared to untreatment group. Moreover, human neuroglioma cells were exposed to the ethyl acetate extracts of FLL for 48 h, which resulted in an accumulation of cells in G2/Mphase. Apoptotic bodies were clearly observed in human neuroglioma cells that had been treated with FLL for 48 h and then stained with Hochest 33342. The expression of Cyclin B1, CDC2 and cdc25C were downregulated upon FLL treatment in human neuroglioma cells. The expression level of Cyclin B1, CDC2 and cdc25C was negatively correlated with the time of treatment by FLL. In contrast, p53, p21 and p16 were obviously upregulated by FLL treatment in a time-dependent manner. Conclusions: These results confirmed that FLL could induce apoptosis in human neuroglioma cells, the underlying molecular mechanisms, at least partially, through activation p21/p53 and suppression CDC2/cdc25C signaling in vitro. PMID:26064281

  13. The effect of ethyl acetate extract of pomelo mix on systemic exposure of verapamil in rabbits.

    PubMed

    Aqel, Suad M; Irshaid, Yacoub M; Gharaibeh, Munir N; Arafat, Tawfiq A

    2011-04-01

    The effect of ethyl acetate extract of pomelo fruit on systemic exposure of verapamil was explored in rabbits. Two groups each of 8 locally-inbred New Zealand male rabbits were used. The first group was used for single-dose treatment (both verapamil and pomelo extract). The second group was used for multiple-dose treatment, pomelo extract (once daily for 14 days) and verapamil single doses (at days 7 and 14). A verapamil dose of 30 mg/kg and a pomelo extract dose of 45 mg/kg were used. Single-dose treatment with pomelo extract resulted in a minor change in mean C(max) of verapamil in plasma, while a decrease of 37.8% in AUC(0-24) and 28.3% in AUC(0-∞) was observed but did not reach statistical significance. After the first period of multiple dose treatment (pomelo extract for 7 days), the combination increased the concentration of verapamil in plasma with a significant increase in mean C(max), AUC(0-24) and AUC(0-∞) by 461.9%, 299.7%, and 261.1%, respectively (p values were 0.005, 0.002, and 0.006, respectively). In contrast, after the second period (day 14 of pomelo extract use), the combination decreased the concentration of verapamil in the plasma with a substantial decrease in mean C(max), AUC(0-24), and AUC(0-∞), by 68.2%, 69.7% and 58.3%, respectively. This decrease did not reach statistical significance (p values were 0.073, 0.081 and 0.083, respectively). The T(max) was not affected significantly in both studies. The study illustrates a complex time-dependent interaction between verapamil and the ethyl acetate extract of pomelo mix. More intensive studies are needed to further understand the nature of the interaction. PMID:21457137

  14. Insecticidal Activity of Ethyl Acetate Extracts from Culture Filtrates of Mangrove Fungal Endophytes

    PubMed Central

    Abraham, Silva; Basukriadi, Adi; Pawiroharsono, Suyanto

    2015-01-01

    In the search for novel potent fungi-derived bioactive compounds for bioinsecticide applications, crude ethyl acetate culture filtrate extracts from 110 mangrove fungal endophytes were screened for their toxicity. Toxicity tests of all extracts against brine shrimp (Artemia salina) larvae were performed. The extracts with the highest toxicity were further examined for insecticidal activity against Spodoptera litura larvae and acetylcholinesterase (AChE) inhibition activity. The results showed that the extracts of five isolates exhibited the highest toxicity to brine shrimp at 50% lethal concentration (LC50) values of 7.45 to 10.24 ppm. These five fungal isolates that obtained from Rhizophora mucronata were identified based on sequence data analysis of the internal transcribed spacer region of rDNA as Aspergillus oryzae (strain BPPTCC 6036), Emericella nidulans (strains BPPTCC 6035 and BPPTCC 6038), A. tamarii (strain BPPTCC 6037), and A. versicolor (strain BPPTCC 6039). The mean percentage of S. litura larval mortality following topical application of the five extracts ranged from 16.7% to 43.3%. In the AChE inhibition assay, the inhibition rates of the five extracts ranged from 40.7% to 48.9%, while eserine (positive control) had an inhibition rate of 96.8%, at a concentration of 100 ppm. The extracts used were crude extracts, so their potential as sources of AChE inhibition compounds makes them likely candidates as neurotoxins. The high-performance liquid chromatography profiles of the five extracts differed, indicating variations in their chemical constituents. This study highlights the potential of culture filtrate ethyl acetate extracts of mangrove fungal endophytes as a source of new potential bioactive compounds for bioinsecticide applications. PMID:26190921

  15. Insecticidal Activity of Ethyl Acetate Extracts from Culture Filtrates of Mangrove Fungal Endophytes.

    PubMed

    Abraham, Silva; Basukriadi, Adi; Pawiroharsono, Suyanto; Sjamsuridzal, Wellyzar

    2015-06-01

    In the search for novel potent fungi-derived bioactive compounds for bioinsecticide applications, crude ethyl acetate culture filtrate extracts from 110 mangrove fungal endophytes were screened for their toxicity. Toxicity tests of all extracts against brine shrimp (Artemia salina) larvae were performed. The extracts with the highest toxicity were further examined for insecticidal activity against Spodoptera litura larvae and acetylcholinesterase (AChE) inhibition activity. The results showed that the extracts of five isolates exhibited the highest toxicity to brine shrimp at 50% lethal concentration (LC50) values of 7.45 to 10.24 ppm. These five fungal isolates that obtained from Rhizophora mucronata were identified based on sequence data analysis of the internal transcribed spacer region of rDNA as Aspergillus oryzae (strain BPPTCC 6036), Emericella nidulans (strains BPPTCC 6035 and BPPTCC 6038), A. tamarii (strain BPPTCC 6037), and A. versicolor (strain BPPTCC 6039). The mean percentage of S. litura larval mortality following topical application of the five extracts ranged from 16.7% to 43.3%. In the AChE inhibition assay, the inhibition rates of the five extracts ranged from 40.7% to 48.9%, while eserine (positive control) had an inhibition rate of 96.8%, at a concentration of 100 ppm. The extracts used were crude extracts, so their potential as sources of AChE inhibition compounds makes them likely candidates as neurotoxins. The high-performance liquid chromatography profiles of the five extracts differed, indicating variations in their chemical constituents. This study highlights the potential of culture filtrate ethyl acetate extracts of mangrove fungal endophytes as a source of new potential bioactive compounds for bioinsecticide applications. PMID:26190921

  16. Hormetic effect of ionic liquid 1-ethyl-3-methylimidazolium acetate on bacteria

    SciTech Connect

    Nancharaiah, Y. V.; Francis, A. J.

    2015-02-19

    The biological effect of ionic liquids (ILs) is one of the highly debated topics as they are being contemplated for various industrial applications. 1-ethyl-2-methylimidazolium acetate ([EMIM][Ac]) showed remarkable hormesis on anaerobic Clostridium sp. and aerobic Psueudomonas putida. Bacterial growth was stimulated at up to 2.5 g L-1 and inhibited at > 2.5 g L-1 of ([EMIM][Ac]). The growth of Clostridium sp. and P. putida were higher by 0.4 and 4-fold respectively, in the presense of 0.5 g L-1 of ([EMIM][Ac]). Assessment of the effect of [EMIM][Ac] under different growth conditions showed that the hormesis of [EMIM][Ac] was mediated via regulation of medium pH. Hormetic effect of [EMIM][Ac] was evident only in medium with poor buffering capacity and in the presence of a fermentable substrate as the carbon source. The hormetic effect of [EMIM][Ac] on bacterial growth is most likely associated with the buffering capacity of acetate anion. These observations have implications in ILs toxicity studies and ecological risk assessment.

  17. Hormetic effect of ionic liquid 1-ethyl-3-methylimidazolium acetate on bacteria

    DOE PAGESBeta

    Nancharaiah, Y. V.; Francis, A. J.

    2015-02-19

    The biological effect of ionic liquids (ILs) is one of the highly debated topics as they are being contemplated for various industrial applications. 1-ethyl-2-methylimidazolium acetate ([EMIM][Ac]) showed remarkable hormesis on anaerobic Clostridium sp. and aerobic Psueudomonas putida. Bacterial growth was stimulated at up to 2.5 g L-1 and inhibited at > 2.5 g L-1 of ([EMIM][Ac]). The growth of Clostridium sp. and P. putida were higher by 0.4 and 4-fold respectively, in the presense of 0.5 g L-1 of ([EMIM][Ac]). Assessment of the effect of [EMIM][Ac] under different growth conditions showed that the hormesis of [EMIM][Ac] was mediated via regulationmore » of medium pH. Hormetic effect of [EMIM][Ac] was evident only in medium with poor buffering capacity and in the presence of a fermentable substrate as the carbon source. The hormetic effect of [EMIM][Ac] on bacterial growth is most likely associated with the buffering capacity of acetate anion. These observations have implications in ILs toxicity studies and ecological risk assessment.« less

  18. Hormetic effect of ionic liquid 1-ethyl-3-methylimidazolium acetate on bacteria.

    PubMed

    Nancharaiah, Y V; Francis, A J

    2015-06-01

    The biological effect of ionic liquids (ILs) is one of the highly debated topics as they are being contemplated for various industrial applications. 1-ethyl-3-methylimidazolium acetate ([EMIM][Ac]) showed remarkable hormesis on anaerobic Clostridium sp. and aerobic Pseudomonas putida. Bacterial growth was stimulated at up to 2.5 g L(-1) and inhibited at >2.5 g L(-1) of [EMIM][Ac]. The growth of Clostridium sp. and P. putida were higher by 0.4 and 4-fold respectively, in the presence of 0.5 g L(-1) [EMIM][Ac]. Assessment of the effect of [EMIM][Ac] under different growth conditions showed that the hormesis of [EMIM][Ac] was mediated via regulation of medium pH. Hormetic effect of [EMIM][Ac] was evident only in medium with poor buffering capacity and in the presence of a fermentable substrate as the carbon source. The hormetic effect of [EMIM][Ac] on bacterial growth is most likely associated with the buffering capacity of acetate anion. These observations have implications in ILs toxicity studies and ecological risk assessment. PMID:25703901

  19. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester (PMN P-05-568; CAS No. 477218-59-0) is.... Requirements as specified in § 721.80(h). (ii) (b) Specific requirements. The provisions of subpart A of this... (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses...

  20. 40 CFR 721.10074 - Acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... acetic acid, 2-chloro-, 1-(3,3-dimethylcyclohexyl)ethyl ester (PMN P-05-568; CAS No. 477218-59-0) is.... Requirements as specified in § 721.80(h). (ii) (b) Specific requirements. The provisions of subpart A of this... (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses...

  1. Acetyl xylan esterase of Aspergillus ficcum catalyzed the synthesis of peracetic acid from ethyl acetate and hydrogen peroxide.

    PubMed

    Park, Seung-Moon

    2011-11-01

    Recombinant acetyl xylan esterase (rAXE) of Aspergillus ficcum catalyzed the synthesis of peracetic acid (PAA) from ethyl acetate and hydrogen peroxide. Ten micrograms of rAXE catalyzed the synthesis of 1.34 mM of PAA, which can be used for the pretreatment of cellulosic biomass in situ. PMID:21824816

  2. A green approach to ethyl acetate: quantitative conversion of ethanol through direct dehydrogenation in a Pd-Ag membrane reactor.

    PubMed

    Zeng, Gaofeng; Chen, Tao; He, Lipeng; Pinnau, Ingo; Lai, Zhiping; Huang, Kuo-Wei

    2012-12-01

    Pincers do the trick: The conversion of ethanol to ethyl acetate and hydrogen was achieved using a pincer-Ru catalyst in a Pd-Ag membrane reactor. Near quantitative conversions and yields could be achieved without the need for acid or base promoters or hydrogen acceptors (see scheme). PMID:23136053

  3. Macroscopic and microscopic study of 1-ethyl-3-methyl-imidazolium acetate-DMSO mixtures.

    PubMed

    Radhi, Asanah; Le, Kim Anh; Ries, Michael E; Budtova, Tatiana

    2015-01-29

    Macroscopic (steady-state viscosity, density) and microscopic (NMR chemical shifts, (1)H NMR relaxation times, and diffusion) properties of the 1-ethyl-3-methylimidazolium acetate ([EMIM][OAc])-dimethyl sulfoxide (DMSO) mixture were studied in detail as a function of DMSO molar fraction at various temperatures. Temperature dependencies were used to calculate the activation energies. NMR results indicate that at low molar fraction of DMSO (<0.4), it weakly associates with the cation and in doing so disrupts the strong ion-ion association that exists in the pure ionic liquid. Stokes-Einstein equation, which linearly correlates the diffusion coefficient of a spherical molecule and macroscopic viscosity, was shown to work well for the [EMIM][OAc]-DMSO mixture. The influence of DMSO on the "anomalous" diffusion in [EMIM][OAc] ("quick" cation vs "slow" anion) was investigated; it was demonstrated that DMSO makes the cation diffusion slower. All parameters studied showed relatively small deviations from the ideal mixing rule behavior (from 20% to 50% difference between experimental and theoretically predicted results), confirming weak interactions between the components. PMID:25565058

  4. Reversible Carbene Formation in the Ionic Liquid 1-Ethyl-3-Methylimidazolium Acetate by Vaporization and Condensation.

    PubMed

    Kar, Bishnu Prasad; Sander, Wolfram

    2015-12-01

    The role of N-heterocyclic carbenes in the chemistry of ionic liquids based on imidazolium salts has long been discussed. Here, we present experimental evidence that 1-ethyl-3-methylimidazolium-2-ylidene (EMIm) can coexist with its protonated imidazolium cation (EMImH(+) ) at low temperatures. If the vapor of the ionic liquid [EMImH(+) ][AcO(-) ] is trapped in solid argon or nitrogen at 9 K, only acetic acid (AcOH) and the carbene, but no ionic species, are found by IR spectroscopy. This indicates that during the evaporation of [EMImH(+) ][AcO(-) ] proton transfer occurs to form the neutral species. If the vapor of [EMImH(+) ][AcO(-) ] is trapped at 9 K as film in the absence of a host matrix, a solid consisting of EMImH(+) , EMIm, AcO(-) , and AcOH is formed. During warming to room temperature the proton transfer in the solid to form back the IL [EMImH(+) ][AcO(-) ] can be monitored by IR spectroscopy. This clearly demonstrates that evaporation and condensation of the IL [EMImH(+) ][AcO(-) ] results in a double proton transfer, and the carbene EMIm is only metastable even at low temperatures. PMID:26376583

  5. Monitoring of cellulose depolymerization in 1-ethyl-3-methylimidazolium acetate by shear and elongational rheology.

    PubMed

    Michud, Anne; Hummel, Michael; Haward, Simon; Sixta, Herbert

    2015-03-01

    The thermal stability of cellulose in the ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate, [emim]OAc was investigated. For this purpose, Eucalyptus urugrandis prehydrolysis kraft pulp was first dissolved in [emim]OAc by means of a vertical kneader and then stored at three different temperatures to study the time-depended behavior of the cellulose-[emim]OAc system. Cellulose depolymerization was assessed by characterizing the precipitated cellulose and the rheological behavior of the cellulose-[emim]OAc solutions. The results show decreases in the weight average molecular mass and in the shear viscosity at temperatures exceeding 60 °C, which can be related to progressing degradation of cellulose in the IL upon storage at elevated temperature. The changes in behavior of the solutions under extensional stresses also attest the gradual depolymerization of cellulose. The degradation has been analyzed using appropriate kinetic models. Propyl gallate appeared to be an efficient stabilizer of the cellulose-[emim]OAc system during the dissolution step even though the mechanism has not been fully understood yet. PMID:25498646

  6. Preventive effect of Kaempferia parviflora ethyl acetate extract and its major components polymethoxyflavonoid on metabolic diseases.

    PubMed

    Shimada, Tsutomu; Horikawa, Takumi; Ikeya, Yukinobu; Matsuo, Hirotaka; Kinoshita, Kaoru; Taguchi, Takaaki; Ichinose, Koji; Takahashi, Kunio; Aburada, Masaki

    2011-12-01

    Previously, we reported that rhizome powder of Kaempferia parviflora Wall. Ex. Baker prevented obesity and a range of metabolic diseases. In this study, to clarify which molecular mechanisms and active ingredients of K. parviflora have an anti-obesity effect, we investigated the effect of ethyl acetate extract of K. parviflora (KPE) on TSOD mice, a spontaneously obese Type II diabetes model, and on pancreatic lipase. In the TSOD groups, KPE showed a suppressive effect on body weight increase and visceral fat accumulation and also showed preventive effects on symptoms related to insulin resistance, hypertension and fatty liver. In addition, KPE also suppressed body weight increase and food intake in TSNO mice groups, which served as reference animals, at an early stage of administration. Searching for the ingredients in KPE revealed that KPE contains at least 12 kinds of polymethoxyflavonoid (PMF). Furthermore, KPE and its component PMFs showed an inhibitory effect on pancreatic lipase. The above results suggest that KPE has a preventive effect on obesity and various metabolic diseases. The mechanisms of action probably involve inhibition of pancreatic lipase by the PMFs in KPE. PMID:21907268

  7. Management of Hyperglycaemia by Ethyl Acetate Extract of Balanites aegyptiaca (Desert Date).

    PubMed

    Al-Malki, Abdulrahman L; Barbour, Elie K; Abulnaja, Kalid O; Moselhy, Said S

    2015-01-01

    Reactive oxygen species play a significant role in the pathogenesis of retinopathy in diabetes patients. The current study aimed to assess the effect of ethyl acetate extract (EAE) from Balanites aegyptiaca (10, 25 or 50 mg/kg b.w.) in experimental diabetic rats. To achieve this aim, five groups of male rats were included: control, diabetic, and diabetic rats treated with 10, 25, and 50 µg/kg b.w. of EAE for eight weeks. Our results suggests a protective role of EAE against oxidative stress induced by streptozocine. EAE treatment produced a reduction in blood glucose levels, HbA1c, malondialdehyde and vascular endothelial growth factor (VEGF) in diabetic retina (p < 0.001), as well as an enhancement in antioxidant capacity against streptozocine-induced oxidative stress. Tumor necrosis factor alpha (TNF-α), interleukin (IL-1β) and vascular endothelial growth factor (VEGF) were significantly reduced in diabetic rats treated with EAE, compared with untreated diabetic rats. Analysis of EAE by GC-MS indicated the presence of β-sistosterol. Overall, EAE modulates oxidative stress induced by streptozocine and enhances antioxidant activity, which may provide additional endothelial protection in retina of diabetic rats. These results hold great promise in the management of diabetic complications. PMID:26262605

  8. In Vitro and in Vivo antioxidant activity of ethyl acetate extraction of purple rice.

    PubMed

    Shen, Y; Chen, L; Zhang, H; Zhang, Y; Zhang, H; Wang, L; Qian, H; Qi, X; Zhang, H

    2016-01-01

    The antioxidant activities of ethyl acetate extraction of purple rice (EAEPR) were evaluated by various methods in vitro and in vivo. In in vitro antioxidant assays, EAEPR was found to have strong 2, 2-diphenyl-1-picrylhydrazyl radical scavenging activity hydroxyl radical, reducing power and metal-ion chelating activity. In in vivo antioxidant assays, mice were administered with EAEPR via gavage for 42 consecutive days. As a result, administration of EAEPR significantly enhanced the activities of glutathione peroxidase in serums and livers of mice. EAEPR could improve the lipid status, especially total cholesterol and low-density lipoprotein cholesterol levels. In addition, total phenolic content of EAEPR was 188.21mg/g. The main phenolic compounds in EAEPR analyzed by ultra-high performance liquid chromatography tandem mass spectrometry were determined as ferulic acid and quercetin. The contents of ferulic acid and quercetin in EAEPR were 14.21mg/g and 35.28mg/g, respectively. The Nrf2 expression was significantly elevated after administration of EAEPR.These results suggested that EAEPR had potent antioxidant activity and could be explored as a novel natural antioxidant. PMID:27188742

  9. Antitussive Efficacy and Safety Profile of Ethyl Acetate Fraction of Terminalia chebula

    PubMed Central

    Wahab, Abdul; Ayub, Khurshed; Sherkheli, M. Azhar; Khan, Rafeeq Alam; Raza, Mohsin

    2013-01-01

    Antitussive effects of ethyl acetate fraction of Terminalia chebula on sulphur dioxide (SO2) gas induced cough have been examined in mice. Safety profile of Terminalia chebula was established by determining LD50 and acute neurotoxicity. The result showed that extract of Terminalia chebula dose dependently suppressed SO2 gas induced cough in mice. Terminalia chebula, after i.p. administration at dose level 500 mg/kg, offered maximum cough suppressive effects; that is, number of coughs at 60 min was 12 ± 1.52 (mean ± SEM) as compared to codeine 10 mg/kg; i.p., dextromethorphan 10 mg/kg; i.p., and saline, having frequency of cough 10.375 ± 0.866, 12.428 ± 0.81, and 46 ± 2.61, respectively. LD50 value of Terminalia chebula was approximately 1265 mg/kg, respectively. No sign of neural impairment was observed at antitussive doses of extract. Antitussive effect of Terminalia chebula was partly reversed with treatment by naloxone (3 mg/kg; s.c.) while rimcazole (3 mg/kg; s.c.) did not antagonize its cough suppression activity. This may suggest that opioid receptors partially contribute in antitussive action of Terminalia chebula. Along with this, the possibility of presence of single or multiple mechanisms activated by several different pharmacological actions (mainly anti-inflammatory, antioxidant, spasmolytic, antibacterial, and antiphlegmatic) could not be eliminated. PMID:24024039

  10. Physical insight into switchgrass dissolution in the ionic liquid 1-ethyl-3-methylimidazolium acetate

    SciTech Connect

    Wang, Hui; Gurau, Gabriela; Pingali, Sai Venkatesh; O'Neil, Hugh; Evans, Barbara R; Urban, Volker S; Heller, William T; Rogers, Robin D

    2014-01-01

    Small-angle neutron scattering was used to characterize solutions of switchgrass and the constituent biopolymers cellulose, hemicellulose, and lignin, as well as a physical mixture of them mimicking the composition of switchgrass, dissolved in the ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate. The results demonstrate that the IL dissolves the cellulose fibrils of switchgrass, although a supramolecular biopolymer network remains that is not present in solutions of the individual biopolymers and that does not self-assemble in a solution containing the physical mixture of the individual biopolymers. The persistence of a network-like structure indicates that dissolving switchgrass in the IL does not disrupt all of the physical entanglements and covalent linkages between the biopolymers created during plant growth. Reconstitution of the IL-dissolved switchgrass yields carbohydrate-rich material containing cellulose with a low degree of crystallinity, as determined by powder X-ray diffraction, which impacts potential down-stream uses of the biopolymers produced by the process. The data suggests that the use of chemical additives which would break bonds that exist between the lignin and hemicellulose might improve the purity of the resulting product, but may not be able to disrupt the highly physically-entangled biopolymer network sufficiently to facilitate their separation.

  11. Coagulation of chitin and cellulose from 1-ethyl-3-methylimidazolium acetate ionic-liquid solutions using carbon dioxide.

    PubMed

    Barber, Patrick S; Griggs, Chris S; Gurau, Gabriela; Liu, Zhen; Li, Shan; Li, Zengxi; Lu, Xingmei; Zhang, Suojiang; Rogers, Robin D

    2013-11-18

    Chemisorption of carbon dioxide by 1-ethyl-3-methylimidazolium acetate ([C2 mim][OAc]) provides a route to coagulate chitin and cellulose from [C2 mim][OAc] solutions without the use of high-boiling antisolvents (e.g., water or ethanol). The use of CO2 chemisorption as an alternative coagulating process has the potential to provide an economical and energy-efficient method for recycling the ionic liquid. PMID:24115399

  12. Antioxidant and Protective Effect of Ethyl Acetate Extract of Podophyllum Hexandrum Rhizome on Carbon Tetrachloride Induced Rat Liver Injury

    PubMed Central

    Ganie, Showkat Ahmad; Haq, Ehtishamul; Masood, Akbar; Hamid, Abid; Zargar, Mohmmad Afzal

    2011-01-01

    The antioxidant and hepatoprotective activities of ethyl acetate extract was carefully investigated by the methods of DPPH radical scavenging activity, Hydroxyl radical scavenging activity, Superoxide radical scavenging activity, Hydrogen peroxide radical scavenging activity and its Reducing power ability. All these in vitro antioxidant activities were concentration dependent which were compared with standard antioxidants such as BHT, α-tocopherol. The hepatoprotective potential of Podophyllum hexandrum extract was also evaluated in male Wistar rats against carbon tetrachloride (CCl4)-induced liver damage. Pre-treated rats were given ethyl acetate extract at 20, 30 and 50 mg/kg dose prior to CCl4 administration (1 ml/kg, 1:1 in olive oil). Rats pre-treated with Podophyllum hexandrum extract remarkably prevented the elevation of serum AST, ALT, LDH and liver lipid peroxides in CCl4-treated rats. Hepatic glutathione levels were significantly increased by the treatment with the extract in all the experimental groups. The extract at the tested doses also restored the levels of liver homogenate enzymes (glutathione peroxidase, glutathione reductase, superoxide dismutase and glutathione-S- transferase) significantly. This study suggests that ethyl acetate extract of P. hexandrum has a liver protective effect against CCl4-induced hepatotoxicity and possess in vitro antioxidant activities. PMID:21394192

  13. Antioxidant and antimicrobial activities of ethyl acetate extract, fractions and compounds from stem bark of Albizia adianthifolia (Mimosoideae)

    PubMed Central

    2012-01-01

    Background Albizia adianthifolia is used traditionally in Cameroon to treat several ailments, including infectious and associated diseases. This work was therefore designed to investigate the antioxidant and antimicrobial activities of ethyl acetate extract, fractions and compounds isolated from the stem bark of this plant. Methods The plant extract was prepared by maceration in ethyl acetate. Its fractionation was done by column chromatography and the structures of isolated compounds were elucidated using spectroscopic data in conjunction with literature data. The 1,1-diphenyl-2-picrylhydrazyl (DPPH) and trolox equivalent antioxidant capacity (TEAC) assays were used to detect the antioxidant activity. Broth micro-dilution method was used for antimicrobial test. Total phenol content was determined spectrophotometrically in the extracts by using Folin–Ciocalteu method. Results The fractionation of the extract afforded two known compounds: lupeol (1) and aurantiamide acetate (2) together with two mixtures of fatty acids: oleic acid and n-hexadecanoic acid (B1); n-hexadecanoic acid, octadecanoic acid and docosanoic acid (B2). Aurantiamide acetate was the most active compound. The total phenol concentration expressed as gallic acid equivalents (GAE) was found to vary from 1.50 to 13.49 μg/ml in the extracts. The antioxidant activities were well correlated with the total phenol content (R2 = 0.946 for the TEAC method and R2 = 0.980 for the DPPH free-radical scavenging assay). Conclusions Our results clearly reveal that the ethyl acetate extract from the stem bark of A. adianthifolia possesses antioxidant and antimicrobial principles. The antioxidant activity of this extract as well as that of compound 2 are being reported herein for the first time. These results provide promising baseline information for the potential use of this plant as well as compound 2 in the treatment of oxidative damage and infections associated with the studied microorganisms. PMID

  14. Ethyl Acetate Abatement on Copper Catalysts Supported on Ceria Doped with Rare Earth Oxides.

    PubMed

    Carabineiro, Sónia Alexandra Correia; Konsolakis, Michalis; Marnellos, George Emmanouil-Nontas; Asad, Muhammad Faizan; Soares, Olívia Salomé Gonçalves Pinto; Tavares, Pedro Bandeira; Pereira, Manuel Fernando Ribeiro; Órfão, José Joaquim de Melo; Figueiredo, José Luís

    2016-01-01

    Different lanthanide (Ln)-doped cerium oxides (Ce0.5Ln0.5O1.75, where Ln: Gd, La, Pr, Nd, Sm) were loaded with Cu (20 wt. %) and used as catalysts for the oxidation of ethyl acetate (EtOAc), a common volatile organic compound (VOC). For comparison, both Cu-free (Ce-Ln) and supported Cu (Cu/Ce-Ln) samples were characterized by N₂ adsorption at -196 °C, scanning/transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy and temperature programmed reduction in H₂. The following activity sequence, in terms of EtOAc conversion, was found for bare supports: CeO₂ ≈ Ce0.5Pr0.5O1.75 > Ce0.5Sm0.5O1.75 > Ce0.5Gd0.5O1.75 > Ce0.5Nd0.5O1.75 > Ce0.5La0.5O1.75. Cu addition improved the catalytic performance, without affecting the activity order. The best catalytic performance was obtained for Cu/CeO₂ and Cu/Ce0.5Pr0.5O1.75 samples, both achieving complete EtOAc conversion below ca. 290 °C. A strong correlation was revealed between the catalytic performance and the redox properties of the samples, in terms of reducibility and lattice oxygen availability. Νo particular correlation between the VOC oxidation performance and textural characteristics was found. The obtained results can be explained in terms of a Mars-van Krevelen type redox mechanism involving the participation of weakly bound (easily reduced) lattice oxygen and its consequent replenishment by gas phase oxygen. PMID:27196886

  15. Effects of ethyl acetate extract of Kaempferia parviflora on brown adipose tissue.

    PubMed

    Kobayashi, Hiroko; Horiguchi-Babamoto, Emi; Suzuki, Mio; Makihara, Hiroko; Tomozawa, Hiroshi; Tsubata, Masahito; Shimada, Tsutomu; Sugiyama, Kiyoshi; Aburada, Masaki

    2016-01-01

    We have previously reported the effects of Kaempferia parviflora (KP), including anti-obesity, preventing various metabolic diseases, and regulating differentiation of white adipose cells. In this study we used Tsumura, Suzuki, Obese Diabetes (TSOD) mice--an animal model of spontaneous obese type II diabetes--and primary brown preadipocytes to examine the effects of the ethyl acetate extract of KP (KPE) on brown adipose tissue, which is one of the energy expenditure organs. TSOD mice were fed with MF mixed with either KPE 0.3 or 1% for 8 weeks. Computed tomography images showed that whitening of brown adipocytes was suppressed in the interscapular tissue of the KPE group. We also examined mRNA expression of uncoupling protein 1 (UCP-1) and β3-adrenalin receptor (β3AR) in brown adipose tissue. As a result, mRNA expression of UCP-1 significantly increased in the KPE 1% treatment group, indicating that KPE activated brown adipose tissue. We then evaluated the direct effects of KPE on brown adipocytes using primary brown preadipocytes isolated from interscapular brown adipocytes in ICR mice. Triacylglycerol (TG) accumulation in primary brown preadipocytes was increased by KPE in a dose-dependent manner. Each mRNA expression of peroxisome proliferator-activated receptor γ (PPARγ), UCP-1, and β3AR exhibited an upward trend compared with the control group. Moreover, some polymethoxyflavonoids (PMFs), the main compound in KP, also increased TG accumulation. This study therefore showed that KPE enhanced the thermogenesis effect of brown adipocytes as well as promoted the differentiation of brown adipocyte cells. PMID:26386971

  16. Therapeutic effect of ethyl acetate extract from Asparagus cochinchinensis on phthalic anhydride-induced skin inflammation

    PubMed Central

    Sung, Ji-Eun; Lee, Hyun-Ah; Kim, Ji-Eun; Go, Jun; Seo, Eun-Ji; Yun, Woo-Bin; Kim, Dong-Seob; Son, Hong-Joo; Lee, Chung-Yeoul; Lee, Hee-Seob

    2016-01-01

    Asparagus cochinchinensis has been used to treat various diseases including fever, cough, kidney disease, breast cancer, inflammatory disease and brain disease, while IL-4 cytokine has been considered as key regulator on the skin homeostasis and the predisposition toward allergic skin inflammation. However, few studies have investigated its effects and IL-4 correlation on skin inflammation to date. To quantitatively evaluate the suppressive effects of ethyl acetate extracts of A. cochinchinensis (EaEAC) on phthalic anhydride (PA)-induced skin inflammation and investigate the role of IL-4 during their action mechanism, alterations in general phenotype biomarkers and luciferase-derived signals were measured in IL-4/Luc/CNS-1 transgenic (Tg) mice with PA-induced skin inflammation after treatment with EaEAC for 2 weeks. Key phenotype markers including lymph node weight, immunoglobulin E (IgE) concentration, epidermis thickness and number of infiltrated mast cells were significantly decreased in the PA+EaEAC treated group compared with the PA+Vehicle treated group. In addition, expression of IL-1β and TNF-α was also decreased in the PA+EaEAC cotreated group, compared to PA+Vehicle treated group. Furthermore, a significant decrease in the luciferase signal derived from IL-4 promoter was detected in the abdominal region, submandibular lymph node and mesenteric lymph node of the PA+EaEAC treated group, compared to PA+Vehicle treated group. Taken together, these results suggest that EaEAC treatment could successfully improve PA-induced skin inflammation of IL-4/Luc/CNS-1 Tg mice, and that IL-4 cytokine plays a key role in the therapeutic process of EaEAC. PMID:27051441

  17. [Chemical constituents from ethyl acetate extract of flower of Albizia julibrissin].

    PubMed

    Rong, Guang-Qing; Geng, Chang-An; Ma, Yun-Bao; Huang, Xiao-Yan; Wang, Hong-Ling; Zhao, Yong; Zhang, Xue-Mei; Chen, Ji-Jun

    2014-05-01

    The ethyl acetate extract of the flower of Albizia julibrissin was isolated and purified by silica gel, Sephadex LH-20 and MCI GEL CHP-20P column chromatography to yield 29 compounds. Their structures were elucidated as 8-hydroxy-2, 6-dimethyl-2E, 6Z-octadienoic acid (1), 8-O-formyl-2, 6-dimethyl-2E, 6Z-octadienoic acid (la), 8-hydroxy-2, 6-dimethyl-2E, 6E-octadienoic acid (2), 8-O-formyl-2, 6-dimethyl-2E, 6E-octadienoic acid (2a), (2E, 6S)-2, 6-dimethyl-6-O-beta-D-xylpyranosyloxy-2, 7-menthia-folic acid (3), clovan-2beta, 9alpha-diol (4), 2beta-O-formyl-clovan-9alpha-ol (4a), 2beta, 9alpha-O-diformyl-clovan (4b), vomifoliol (5), (6S, 9R)-roseoside (6), vanillin (7), 4-O-ethylgallic acid (8), 3-ethoxy4-hydroxy-benzoic acid (9), p-hydroxybenzaldehyde (10), gallic acid (11), protocatechoic acid (12), stearic acid (13), palmitic acid (14), 2, 3-dihydroxypropyl hexadecanoate (15), linoleic acid (16), scopoletin (17), indole-3-carboxaldehyde (18), 2-furoic acid (19), 5-(hydroxymethyl)-2-furaldehyde (20), (22E, 24R)-5alpha, 8alpha-epidioxy-ergosta-6, 22-dien-3beta-ol (21), (22E, 24R)-5alpha, 8alpha-epidioxy-ergosta-6, 9, 22-trien-3beta-ol (22), (+)-lariciresinol 9'-stearate (23), formononetin (24) and uridine (25). Compounds 1a, 2a, 4a and 4b were new artifacts from the separation process, and others were obtained from A. julibrissin for the first time. PMID:25282893

  18. The antihypertensive effect of ethyl acetate extract of radish leaves in spontaneously hypertensive rats

    PubMed Central

    Chung, Da-Hee; Kim, Sun-Hee; Myung, Nahye; Cho, Kang Jin

    2012-01-01

    Radish (Raphanus sativus L.) is a cruciferous vegetable, and its leaves have antioxidant and anticancer properties. This study was conducted to evaluate the effects of ethyl acetate extracts from radish leaves on hypertension in 11-week-old spontaneously hypertensive rats (SHRs). The SHRs were randomly divided into 3 groups of 6 rats each on the basis of initial systolic blood pressure (SBP) and were treated with oral administration of radish leaf extract (0, 30, or 90 mg/kg body weight [bw], respectively) for 5 weeks. Six Wistar rats were used as normotensive controls. The amount of the radish leaf extract had no effect on body weight. The SBP of the SHRs showed a decreasing trend with the consumption of the radish leaf extract. In the third week, the SBP of the group fed 90 mg extract/kg bw reduced from 214 mmHg to 166 mmHg and was significantly lower than that of the normotensive and hypertensive controls. The extract did not show a significant effect on the angiotensin-converting enzyme (ACE) activity in the serum, kidney, and lung. The extract increased the concentration of NO in serum and the activities of antioxidant enzymes such as glutathione peroxidase and catalase in red blood cells (RBCs). The serum concentrations of Na+ and K+ were not significantly different between all groups. However, the fecal concentrations of Na+ and K+ increased; the fecal concentrations of Na+ and K+ for the normotensive and hypertensive controls were not different. Urinary excretion of Na+ was higher in the normotensive Wistar rats than in the SHRs, while that of K+ was not significantly different. These findings indicate that consumption of radish leaves might have had antihypertensive effects in SHRs by increasing the serum concentration of NO and fecal concentration of Na+ and enhancing antioxidant activities. PMID:22977684

  19. The antihypertensive effect of ethyl acetate extract from red raspberry fruit in hypertensive rats

    PubMed Central

    Jia, Han; Liu, Ji Wen; Ufur, Halmurat; He, Geng Sheng; Liqian, Hai; Chen, Peipei

    2011-01-01

    Objectives: To evaluate the antihypertensive effect of Xinjiang red raspberry fruit ethyl acetate extract (EER) on spontaneously hypertensive rats (SHR) and its possible mechanism from antioxidant perspective. Materials and Methods: The SHR rats were randomly divided into 3 groups, and treated with EER low dose (EERL, 100 mg/kg/d), high dose (EERH, 200 mg/kg/d), and water (SHR) through gastric gavage daily for 5 weeks. Another 8 age-matched male Wistar–Kyoto rats were used as normotensive group (WKY). The systolic blood pressure (SBP) was measured by noninvasive tail-cuff method once a week. At the end of the treatment, blood samples were collected and serum concentrations of nitric oxide (NO), superoxide dismutase (SOD), malondialchehyche (MDA), and plasma endothelin (ET) were determined. Results: Treatment of SHR rats with EER lowered the blood pressure compared with that treated with water (SHR), and the high dose showed more significant reduction in blood pressure. Treatment of SHR rats with EER increased serum NO and SOD levels and lowered ET and MDA levels. As compared with control group, NO levels were increased significantly in EERL (P < 0.01), SOD was elevated more significantly in both EERL and EERH (P < 0.01); MDA was decreased significantly in EERH group (P < 0.05), whereas plasma ET decreased more significantly in the EERH group (P < 0.05). Conclusions: The red raspberry extracts demonstrated a dose-dependent antihypertensive effects in SHR and this may be related to increased NO activation and improved vascular endothelial dysfunction via antioxidation. These results confirmed that raspberries rich in polyphenols have potential cardiovascular protective effects. PMID:21472074

  20. Therapeutic effect of ethyl acetate extract from Asparagus cochinchinensis on phthalic anhydride-induced skin inflammation.

    PubMed

    Sung, Ji-Eun; Lee, Hyun-Ah; Kim, Ji-Eun; Go, Jun; Seo, Eun-Ji; Yun, Woo-Bin; Kim, Dong-Seob; Son, Hong-Joo; Lee, Chung-Yeoul; Lee, Hee-Seob; Hwang, Dae-Youn

    2016-03-01

    Asparagus cochinchinensis has been used to treat various diseases including fever, cough, kidney disease, breast cancer, inflammatory disease and brain disease, while IL-4 cytokine has been considered as key regulator on the skin homeostasis and the predisposition toward allergic skin inflammation. However, few studies have investigated its effects and IL-4 correlation on skin inflammation to date. To quantitatively evaluate the suppressive effects of ethyl acetate extracts of A. cochinchinensis (EaEAC) on phthalic anhydride (PA)-induced skin inflammation and investigate the role of IL-4 during their action mechanism, alterations in general phenotype biomarkers and luciferase-derived signals were measured in IL-4/Luc/CNS-1 transgenic (Tg) mice with PA-induced skin inflammation after treatment with EaEAC for 2 weeks. Key phenotype markers including lymph node weight, immunoglobulin E (IgE) concentration, epidermis thickness and number of infiltrated mast cells were significantly decreased in the PA+EaEAC treated group compared with the PA+Vehicle treated group. In addition, expression of IL-1β and TNF-α was also decreased in the PA+EaEAC cotreated group, compared to PA+Vehicle treated group. Furthermore, a significant decrease in the luciferase signal derived from IL-4 promoter was detected in the abdominal region, submandibular lymph node and mesenteric lymph node of the PA+EaEAC treated group, compared to PA+Vehicle treated group. Taken together, these results suggest that EaEAC treatment could successfully improve PA-induced skin inflammation of IL-4/Luc/CNS-1 Tg mice, and that IL-4 cytokine plays a key role in the therapeutic process of EaEAC. PMID:27051441

  1. Potential biofuel additive from renewable sources--Kinetic study of formation of butyl acetate by heterogeneously catalyzed transesterification of ethyl acetate with butanol.

    PubMed

    Ali, Sami H; Al-Rashed, Osama; Azeez, Fadhel A; Merchant, Sabiha Q

    2011-11-01

    Butyl acetate holds great potential as a sustainable biofuel additive. Heterogeneously catalyzed transesterification of biobutanol and bioethylacetate can produce butyl acetate. This route is eco-friendly and offers several advantages over the commonly used Fischer Esterification. The Amberlite IR 120- and Amberlyst 15-catalyzed transesterification is studied in a batch reactor over a range of catalyst loading (6-12 wt.%), alcohol to ester feed ratio (1:3 to 3:1), and temperature (303.15-333.15K). A butanol mole fraction of 0.2 in the feed is found to be optimum. Amberlite IR 120 promotes faster kinetics under these conditions. The transesterifications studied are slightly exothermic. The moles of solvent sorbed per gram of catalyst decreases (ethanol>butanol>ethyl acetate>butyl acetate) with decrease in solubility parameter. The dual site models, the Langmuir Hinshelwood and Popken models, are the most successful in correlating the kinetics over Amberlite IR 120 and Amberlyst 15, respectively. PMID:21908187

  2. The C-H bond activation in 1-ethyl-3-methylimidazolium acetate-copper(II) acetate-water-air (dioxygen) systems.

    PubMed

    Shtyrlin, Valery G; Serov, Nikita Yu; Islamov, Daut R; Konkin, Alexander L; Bukharov, Mikhail S; Gnezdilov, Oleg I; Krivolapov, Dmitry B; Kataeva, Ol'ga N; Nazmutdinova, Gulnara A; Wendler, Frank

    2014-01-14

    Ionic liquid (1-ethyl-3-methylimidazolium acetate, [C2C1im][AcO])-copper(ii) diacetate monohydrate-water-air (O2) systems have been investigated by (13)C NMR, EPR, spectrophotometry, HPLC, and synthetic chemistry methods at different temperatures. The C-H bond activation of [C2C1im](+) with the formation of the unusual dication 1,1'-diethyl-3,3'-dimethyl-2,2'-biimidazolium ([(C2C1im)2](2+)) at 50 °C and 1-ethyl-3-methyl-1H-imidazol-2(3H)-one (C2C1imO) at 50-85 °C was revealed. Two new complexes with the above compounds, [(C2C1im)2][Cu(AcO)4] and Cu2(AcO)4(C2C1imO)2, were isolated from the systems and characterized by X-ray structural analysis. Catalytic cycles with the participation of copper(ii) acetate and dioxygen and the production of [(C2C1im)2](2+) and C2C1imO have been proposed. The catalysis presumably includes the formation of the Cu(II)(O2)Cu(II) active centre with μ-η(2):η(2)-peroxide bridging in analogy with tyrosinase and catechol oxidase activity. PMID:24154681

  3. Decreasing the Level of Ethyl Acetate in Ethanolic Fermentation Broths of Escherichia coli KO11 by Expression of Pseudomonas putida estZ Esterase†

    PubMed Central

    Hasona, Adnan; York, S. W.; Yomano, L. P.; Ingram, L. O.; Shanmugam, K. T.

    2002-01-01

    During the fermentation of sugars to ethanol relatively high levels of an undesirable coproduct, ethyl acetate, are also produced. With ethanologenic Escherichia coli strain KO11 as the biocatalyst, the level of ethyl acetate in beer containing 4.8% ethanol was 192 mg liter−1. Although the E. coli genome encodes several proteins with esterase activity, neither wild-type strains nor KO11 contained significant ethyl acetate esterase activity. A simple method was developed to rapidly screen bacterial colonies for the presence of esterases which hydrolyze ethyl acetate based on pH change. This method allowed identification of Pseudomonas putida NRRL B-18435 as a source of this activity and the cloning of a new esterase gene, estZ. Recombinant EstZ esterase was purified to near homogeneity and characterized. It belongs to family IV of lipolytic enzymes and contains the conserved catalytic triad of serine, aspartic acid, and histidine. As expected, this serine esterase was inhibited by phenylmethylsulfonyl fluoride and the histidine reagent diethylpyrocarbonate. The native and subunit molecular weights of the recombinant protein were 36,000, indicating that the enzyme exists as a monomer. By using α-naphthyl acetate as a model substrate, optimal activity was observed at pH 7.5 and 40°C. The Km and Vmax for α-naphthyl acetate were 18 μM and 48.1 μmol · min−1 · mg of protein−1, respectively. Among the aliphatic esters tested, the highest activity was obtained with propyl acetate (96 μmol · min−1 · mg of protein−1), followed by ethyl acetate (66 μmol · min−1 · mg of protein−1). Expression of estZ in E. coli KO11 reduced the concentration of ethyl acetate in fermentation broth (4.8% ethanol) to less than 20 mg liter−1. PMID:12039716

  4. Characterization of a Nitrilase and a Nitrile Hydratase from Pseudomonas sp. Strain UW4 That Converts Indole-3-Acetonitrile to Indole-3-Acetic Acid

    PubMed Central

    Rose, David R.; Glick, Bernard R.

    2014-01-01

    Indole-3-acetic acid (IAA) is a fundamental phytohormone with the ability to control many aspects of plant growth and development. Pseudomonas sp. strain UW4 is a rhizospheric plant growth-promoting bacterium that produces and secretes IAA. While several putative IAA biosynthetic genes have been reported in this bacterium, the pathways leading to the production of IAA in strain UW4 are unclear. Here, the presence of the indole-3-acetamide (IAM) and indole-3-acetaldoxime/indole-3-acetonitrile (IAOx/IAN) pathways of IAA biosynthesis is described, and the specific role of two of the enzymes (nitrilase and nitrile hydratase) that mediate these pathways is assessed. The genes encoding these two enzymes were expressed in Escherichia coli, and the enzymes were isolated and characterized. Substrate-feeding assays indicate that the nitrilase produces both IAM and IAA from the IAN substrate, while the nitrile hydratase only produces IAM. The two nitrile-hydrolyzing enzymes have very different temperature and pH optimums. Nitrilase prefers a temperature of 50°C and a pH of 6, while nitrile hydratase prefers 4°C and a pH of 7.5. Based on multiple sequence alignments and motif analyses, physicochemical properties and enzyme assays, it is concluded that the UW4 nitrilase has an aromatic substrate specificity. The nitrile hydratase is identified as an iron-type metalloenzyme that does not require the help of a P47K activator protein to be active. These data are interpreted in terms of a preliminary model for the biosynthesis of IAA in this bacterium. PMID:24837382

  5. Phytochemical analysis and antibacterial evaluation of the ethyl acetate extract of the stem bark of Bridelia micrantha

    PubMed Central

    Adefuye, Anthonio O.; Ndip, Roland N.

    2013-01-01

    Background Plant cells fundamentally are chemical factories containing a rich supply of therapeutically useful phytocompounds that have the potential of being developed into potent antimicrobial agents. Aim of the Study: To investigate the antibacterial activity of fractionated extracts of the ethyl acetate extract of the stem bark of Bridelia micrantha (Hochst., Baill., Euphorbiaceae). Materials and Methods: Thin-layer chromatography and column chromatography were used to purify the extracts and antimicrobial activity performed on reference and clinical strains of Staphylococcus aureus, Shigella sonnei, Salmonella Typhimurium, and Helicobacter pylori using direct and indirect bioautographic methods respectively. Furthermore, the eluted compound fractions were then assayed for minimum inhibitory concentration (MIC50) using the 96-well micro dilution technique. Results: Better separation of phytocompounds was obtained from the non-polar Benzene/Ethanol/Ammonia (BEA) and intermediate-polar Chloroform/Ethyl acetate/Formic acid (CEF) eluents compared to the polar Ethanol/Methanol/Water (EMW). Bioautography revealed the presence of three bioactive compounds (Rf values; 0.12, 0.20, and 0.42) on the BEA plates, designated fractions 3, 7, and 8 with MIC50 values; 0.0048mg/mL to 1.25mg/mL (fraction 3), 0.0024mg/mL to 5 mg/mL (fraction 7), and 0.0024mg/mL to 2.5mg/mL (fraction 8). Conclusion: Our findings demonstrate that ethyl acetate extract of the stem-bark of B. micrantha possess potent bioactive phytocompounds that may be developed into new antimicrobials. PMID:23661993

  6. Antibacterial and dermal toxicological profiles of ethyl acetate extract from Crassocephalum bauchiense (Hutch.) Milne-Redh (Asteraceae)

    PubMed Central

    2011-01-01

    Background The emergence in recent years of numerous resistant strains of pathogenic bacteria to a range of formerly efficient antibiotics constitutes a serious threat to public health. Crassocephalum bauchiense, a medicinal herb found in the West Region of Cameroon is used to treat gastrointestinal infections as well as liver disorders. The ethyl acetate extract from the leaves of C. bauchiense was evaluated for its antibacterial activity as well as acute and sub-acute toxicities. Methods The plant extract was prepared by maceration in ethyl acetate. Its phytochemical screening was done by standard methods. The broth microdilution method was used to evaluate the in vitro antibacterial activity. The in vivo antibacterial activity of a gel formulation (0.05, 1 and 2% w/v) of this extract was evaluated using a Staphylococcus aureus-induced dermatitis in a murine model. Selected haematological and biochemical parameters were used to evaluate the dermal sub-acute toxicity of the extract in rats. Results Phytochemical screening of the C. bauchiense extract revealed the presence of alkaloids, phenols, tannins and sterols. In vitro antibacterial activities were observed against all the tested microorganisms (MIC = 0.04-6.25 mg/ml). Formulated extract-gel (2% w/v) and gentamycin (reference drug) eradicated the microbial infection after five days of treatment. A single dermal dose of this extract up to 32 g/kg body weight (bw) did not produce any visible sign of toxicity. Also, daily dermal application of the C. bauchiense extract gel formulation for 28 days did not show any negative effect, instead some biochemical parameters such as alanine aminotransferase (ALT and AST), low density lipoprotein (LDL), high density lipoprotein (HDL) and triglycerides were significantly (p < 0.05) affected positively. Conclusion These results indicate that the C. bauchiense ethyl acetate extract can be used safely for the treatment of some bacterial infections. PMID:21615960

  7. [Isolation, Purification and Identification of Antialgal Activity Substances of Ethyl Acetate Extracts from the Submerged Macrophytes Potamogeton crispus].

    PubMed

    Sun, Ying-ying; Su, Zhen-xia; Pu, Yin-fang; Xiao, Hui; Wang, Chang-hai

    2015-10-01

    Previous studies showed that ethyl acetate extracts from the submerged macrophytes Potamogeton crispus can significantly inhibit the growth of Karenia mikimitoi. Further, two antialgal activity compounds (1-2) were successfully isolated from this submerged macrophytes through a combination of silica gel column chromagraphy and repeated preparative thin-layer chromatography in this paper. These two antialgal activity compounds exhibited antialgal active against Karenia mikimitoi. Furthermore, their structure were identified on the basis of spectroscopic data: one flavonid named Trichodermatides B, and one alkaloid named 2-methylheptylisonicotinate. These two compounds were for the first time isolated from both Potamogeton crispus and submerged macrophytes. PMID:26841623

  8. A DFT study on the Cu (1 1 1) surface for ethyl acetate synthesis from ethanol dehydrogenation

    NASA Astrophysics Data System (ADS)

    Li, Ruzhen; Zhang, Minhua; Yu, Yingzhe

    2012-07-01

    Copper-based catalysts have shown excellent catalytic performances. Despite extensive studies in the field, the microscopic mechanism of ethanol dehydrogenation to ethyl acetate (EA) on Cu-based catalysts remains controversial. Aiming to provide insight into the catalytic roles of Cu, density functional theory (DFT) calculations have been performed to study the elementary reactions involved in ethanol dehydrogenation to EA on Cu surfaces. In this work, the adsorption properties of ethanol, ethoxy, acetaldehyde, acetyl and EA on the Cu (1 1 1) catalyst surface were investigated. Based on two pathways, many transition states involved are located. The results show that the route proposed by Colley is more likely to happen.

  9. Constructing a polyfunctional zeolite-encaged metal catalyst for the multistage oxidation of ethanol into ethyl acetate

    SciTech Connect

    Shakhtakhtinskii, T.N.; Aliev, A.M.; Kuliev, A.R.

    1995-08-01

    To construct an efficient polyfunctional catalyst for the given multistage reaction, the authors previously studied the catalysts HNaY, clinosorb, H-clinoptilolite, and H-mordenite in the reaction of esterification of ethanol with acetic acid; CuH-clinoptilolite, Cu-clinosorb, CuH-mordenite, and CuHNaY in the reaction of oxidative dehydration of ethanol; PdH-clinoptilolite, Pd-clinosorb, PdH-mordenite, and PdHNaY in the oxidation of ethanol; and CuPdH-clinoptilolite in the oxidative transformation of ethanol into ethyl acetate. The catalytic activity of these zeolites and other Pd- and Cu-containing zeolite catalysts, which the authors synthesized by the ion-exchange technique, was studied in a flow-circulating set-up.

  10. Quantitative Screening of Agrochemical Residues in Fruits and Vegetables by Buffered Ethyl Acetate Extraction and LC-MS/MS Analysis.

    PubMed

    Jadhav, Manjusha R; Oulkar, Dasharath P; Shabeer T P, Ahammed; Banerjee, Kaushik

    2015-05-13

    A buffered ethyl acetate extraction method is proposed for the simultaneous analysis of 296 agrochemicals in a wide range of fruit and vegetable matrices by liquid chromatography-tandem mass spectrometry (LC-MS/MS). The optimized quantity of acetate buffer (1% acetic acid + 0.5 g of sodium acetate per 10 g of sample) adjusted the pH of each test matrix to 5-6, which in turn significantly improved recoveries of acidic and basic compounds. The role of diethylene glycol (used in the evaporation step) on signal suppression of certain compounds was evaluated, and its quantity was optimized to minimize such an effect. The method was validated in grape, mango, drumstick, bitter gourd, capsicum, curry leaf, and okra as per the DG-SANCO/12571/2013 guidelines. Recoveries in the fortification range of 1-40 μg/kg were within 70-120% with associated relative standard deviations below 20% for most of the compounds. The method has potential for regulatory and commercial applications with a generic approach. PMID:25639652

  11. Upgrading oxygenated Fischer-Tropsch derivatives and one-step direct synthesis of ethyl acetate from ethanol - examples of the desirability of research on simple chemical compounds transformations.

    PubMed

    Klimkiewicz, Roman

    2014-01-01

    Oxygenates formed as by-products of Fischer-Tropsch syntheses can be transformed into other Fischer-Tropsch derived oxygenates instead of treating them as unwanted chemicals. One-step direct synthesis of ethyl acetate from ethanol is feasible with the use of some heterogeneous catalysts. Despite their apparent simplicity, both transformations are discussed as targeted fields of research. Furthermore, the two concepts are justified due to the environmental protection. Arguments regarding the Fischer-Tropsch process are focused on the opportunities of the utilization of undesirable by-products. The effective striving for their utilization can make the oxygenates the targeted products of this process. Arguments regarding the one-step direct synthesis of ethyl acetate underline the environmental protection and sustainability as a less waste-generating method but, above all, highlight the possibility of reducing the glycerol overproduction problem. The production of ethyl acetate from bioethanol and then transesterification of fats and oils with the use of ethyl acetate allows managing all the renewable raw materials. Thus, the process enables the biosynthesis of biodiesel without glycerine by-product and potentially would result in the increase in the demand for ethyl acetate. Graphical Abstract. PMID:25648719

  12. Isolation of ethyl acetic based AGF bio-nutrient and its application on the growth of Capsicum annum L. plants

    NASA Astrophysics Data System (ADS)

    Hendrawan, Sonjaya, Yaya; Khoerunnisa, Fitri; Musthapa, Iqbal; Nurmala, Astri Rizki

    2015-12-01

    The study aimed to obtain the bionutrient derived from extraction of AGF leafs in ethyl acetic solvents and to explore its application on the plant growth of capsicum annum L. (curly red chili). Particularly, the fraction of secondary metabolites groups composed bionutrient was intensively elucidated by liquid vacuum chromatography technique. The characterization of secondary metabolites groups was conducted through several methods, i.e. thin layer chromatography, phytochemical screening, and FTIR spectroscopy. The AGF extracts based bionutrient then was applied on capsicum annum L. plants with dosage of 2 and 10 mL/L. The ethyl acetic solvent and commercial nutrient of Phonska and pesticide of curacron (EC 500) were selected as a blank and a positive control to evaluate the growth pattern of capsicum annum L., respectively. The result showed that the CF 1 dan CF2 of AGF extract contained alkaloid and terpenoid of secondary metabolite group, the CF 3, and CF 4 of AGF extracts were dominated by alkaloid, flavonoid, and terpenoid, while the CF 5 of AGF extract contained alkaloid, tannin and terpenoid groups. The CF 2 of AGF extract has the highest growth rate constant of 0.1702 week-1 with the number and heaviest mass of the yield of 82 pieces and 186.60, respectively. It was also showed the significant bio-pesticide activity that should be useful to support plant growth, indicating that AGF extract can be applied as both bio-nutrient and bio-pesticide.

  13. Determination of permeation parameters of experimental PET films coated with SiOx to ethyl acetate, oxygen and water vapour.

    PubMed

    Adamantiadi, A; Badeka, A; Kontominas, M G

    2001-11-01

    The permeation parameters of conventional PET films, films coated with SiOx and SiOx-coated films laminated to LDPE were determined for ethyl acetate using the permeation cell/gas chromatography method. Permeation to O2 and water vapour was also determined to monitor overall changes in the barrier properties of the experimental films. Coating of the PET film was achieved by a 'directed evaporation' method that increased the yield of the coating process from 30-35 to > 70%. It was shown that the SiOx coating increased the film barrier to ethyl acetate by approximately 20-30 times. Permeation values showed low reproducibility, indicating the need for further development and standardization of the 'directed evaporation' web-coating process. The barrier to oxygen and water vapour increased by 20-25 and 12-14 times respectively after coating. The web-coating speed did not seem to influence the barrier properties of the films. Permeation coefficients, diffusion coefficients and solubility coefficients were calculated for all samples. PMID:11665733

  14. The effects of chloroform, ethyl acetate and methanolic extracts of Brassica rapa L. on cell-mediated immune response in mice

    PubMed Central

    Jafarian-Dehkordi, A.; Zolfaghari, B.; Mirdamadi, M.

    2013-01-01

    Turnips with a long history of usage, are helpful in preventing breast and prostate cancer, inflammation and body`s immune system dysfunction. In this study, we investigated the effects of chloroform, ethyl acetate and methanolic extracts of Brassica rapa L. on cell-mediated immune response in mice. Chloroform, ethyl acetate and methanolic extracts of B. rapa glands were prepared by maceration method. To study the effects of B. rapa on acquired immunity, groups of Balb/c mice (n=8) were used. Sheep red blood cell (SRBC) was injected (s.c., 1×108cells/ml, 0.02 ml) and 5 days later, different extracts (10, 100 and 500 mg/kg), betamethasone (4 mg/kg) and Levamisol (4 mg/kg) as a positive control and normal saline as a negative control were given i.p. After 1 h SRBC was injected to footpad (s.c., 1×108cells/ml, 0.02 ml) and footpad swelling was measured up to 72 h. To investigate the effects of B. rapa on innate immunity the same procedure was used, but animals only received one injection of SRBC 1 h after i.p. injection of test compounds. Our findings showed that SRBC induced an increase in paw swelling with maximum response at 6-8 and 2-4 h for innate and acquired immunity, respectively. Betamethasone inhibited and levamisol increased paw thickness in both models. In both innate and acquired immunity models, chloroform, ethyl acetate and methanolic extracts of B. rapa glands significantly and dose-dependently reduced paw thickness. Ethyl acetate extract showed better effect. As glucosinolates are better extracted by ethyl acetate, it may be concluded that they are contributed in the more pronounced effects of ethyl acetate extract. PMID:24019825

  15. Effect of the ionic liquid 1-ethyl-3-methylimidazolium acetate on the phase transition of starch: dissolution or gelatinization?

    PubMed

    Mateyawa, Sainimili; Xie, David Fengwei; Truss, Rowan W; Halley, Peter J; Nicholson, Timothy M; Shamshina, Julia L; Rogers, Robin D; Boehm, Michael W; McNally, Tony

    2013-04-15

    This work revealed that the interactions between starch, the ionic liquid 1-ethyl-3-methylimidazolium acetate ([Emim][OAc]), and water might contribute to the phase transition (gelatinization, dissolution, or both) of native starch at reduced temperature. Using mixtures of water and [Emim][OAc] at certain ratios (7.2/1 and 10.8/1 mol/mol), both the gelatinization and dissolution of the starch occur competitively, but also in a synergistic manner. At lower [Emim][OAc] concentration (water/[Emim][OAc] molar ratio≥25.0/1), mainly gelatinization occurs which is slightly impeded by the strong interaction between water and [Emim][OAc]; while at higher [Emim][OAc] concentration (water/[Emim][OAc] molar ratio≤2.8/1), the dissolution of starch is the major form of phase transition, possibly restricted by the difficulty of [Emim][OAc] to interact with starch. PMID:23544570

  16. Chemical Evidence for Potent Xanthine Oxidase Inhibitory Activity of Ethyl Acetate Extract of Citrus aurantium L. Dried Immature Fruits.

    PubMed

    Liu, Kun; Wang, Wei; Guo, Bing-Hua; Gao, Hua; Liu, Yang; Liu, Xiao-Hong; Yao, Hui-Li; Cheng, Kun

    2016-01-01

    Xanthine oxidase is a key enzyme which can catalyze hypoxanthine and xanthine to uric acid causing hyperuricemia in humans. Xanthine oxidase inhibitory activities of 24 organic extracts of four species belonging to Citrus genus of the family Rutaceae were assayed in vitro. Since the ethyl acetate extract of C. aurantium dried immature fruits showed the highest xanthine oxidase inhibitory activity, chemical evidence for the potent inhibitory activity was clarified on the basis of structure identification of the active constituents. Five flavanones and two polymethoxyflavones were isolated and evaluated for inhibitory activity against xanthine oxidase in vitro. Of the compounds, hesperetin showed more potent inhibitory activity with an IC50 value of 16.48 μM. For the first time, this study provides a rational basis for the use of C. aurantium dried immature fruits against hyperuricemia. PMID:26950105

  17. Effect of dimethyl sulfoxide on ionic liquid 1-ethyl-3-methylimidazolium acetate pretreatment of eucalyptus wood for enzymatic hydrolysis.

    PubMed

    Wu, Long; Lee, Seung-Hwan; Endo, Takashi

    2013-07-01

    Ground eucalyptus wood was pretreated with 1-ethyl-3-methylimidazolium acetate ([EMIM]OAc)-dimethyl sulfoxide (DMSO) solutions with different mixing ratios under various conditions. The changes in the composition and structure of the biomass were investigated; and the enzymatic hydrolysis performance of the pretreated biomass was evaluated. [EMIM]OAc-DMSO pretreatment had a relatively mild effect on the composition of the biomass, but excessively high pretreatment temperatures led to massive loss of xylan after pretreatment. The enzymatic digestibility of the biomass was significantly improved with increased pretreatment temperature. X-ray diffraction analysis revealed that the disruption of cellulose crystal structure by [EMIM]OAc at a sufficiently high temperature was primarily responsible for the remarkable improvement in the digestibility. Appropriate addition of DMSO could help minimize the consumption of [EMIM]OAc without impairing the performance of the ionic liquid, and contribute to the improvement in pretreatment efficiency due to the viscosity reduction effect on the pretreatment liquor. PMID:23685645

  18. Solvent effects of 1-ethyl-3-methylimidazolium acetate: solvation and dynamic behavior of polar and apolar solutes.

    PubMed

    Lesch, Volker; Heuer, Andreas; Holm, Christian; Smiatek, Jens

    2015-04-01

    We study the solvation properties of the ionic liquid 1-ethyl-3-methylimidazolium acetate ([EMIM](+)[ACE](-)) and the resulting dynamic behavior for differently charged model solutes at room temperature via atomistic molecular dynamics (MD) simulations of 300 ns length and 200 ns equilibration time. The solutes are simple model spheres which are either positively or negatively charged with a valency of one, or uncharged. The numerical findings indicate a distinct solvation behavior with the occurrence of well-pronounced solvation shells whose composition significantly depends on the charge of the solute. All the results of our simulations evidence the existence of a long-range perturbation effect in presence of the solutes. Our findings validate the dominance of electrostatic interactions with regard to unfavorable entropic ordering effects which elucidates the enthalpic character of the solvation process in ionic liquids for charged solutes. PMID:25680082

  19. In-vivo Antioxidant Effects of Ethyl Acetate Fraction of Mentha spicata L. on 4-Nitroquinoline-1-Oxide Injected Mice

    PubMed Central

    Arumugam, Ponnan; Ramesh, Arabandi

    2011-01-01

    Antioxidant effects of ethyl acetate fraction of Mentha spicata (L.) were evaluated against 4-nitroquinoline-1-oxide injected mice. For this study, experiment setup consisted of 36 albino mice of either sex divided into 6 groups: Control (25% DMSO in water), ethyl acetate fraction (EAF) alone group (80, 160 mg/Kg body weight-bwt), 4-NQO (7.5 mg/Kg bwt-IP) alone and 4-NQO + EAF. EAF and vehicles were administered orally for five consecutive days. 4-NQO (7.5 mg/Kg bwt) was injected intraperitoneally on the 6th day. After 24 h, the animals were killed; liver sample was extracted and used for bio-assay. 4-NQO alone treated group decreased (27-60%) the antioxidant activities and promoted lipid peroxidation (LPO-60%) over their respective control values. Pretreatment with EAF, at the maximum dose (160 mg/Kg bwt) brought down the LPO up to 87% enhanced by 4-NQO. Among the enzymatic antioxidants, glutathione S-transferase (GST) was the most affected enzyme with 4-NQO and the least was catalase (CAT). Pretreatment with EAF (160 mg/Kg bwt), the restoration of antioxidants like glutathione peroxidase, superoxide dismutase, and CAT were found equal or less than 1.2 fold higher than that of the respective control values whereas, GST was observed to be the most restored antioxidant. Be reduced glutathione (GSH) and the least vitamin C over their control values. EAF restored the GSH and Vitamin E levels were found to be 1.2 fold higher than the respective control values. PMID:24250414

  20. In-vivo Antioxidant Effects of Ethyl Acetate Fraction of Mentha spicata L. on 4-Nitroquinoline-1-Oxide Injected Mice.

    PubMed

    Arumugam, Ponnan; Ramesh, Arabandi

    2011-01-01

    Antioxidant effects of ethyl acetate fraction of Mentha spicata (L.) were evaluated against 4-nitroquinoline-1-oxide injected mice. For this study, experiment setup consisted of 36 albino mice of either sex divided into 6 groups: Control (25% DMSO in water), ethyl acetate fraction (EAF) alone group (80, 160 mg/Kg body weight-bwt), 4-NQO (7.5 mg/Kg bwt-IP) alone and 4-NQO + EAF. EAF and vehicles were administered orally for five consecutive days. 4-NQO (7.5 mg/Kg bwt) was injected intraperitoneally on the 6(th) day. After 24 h, the animals were killed; liver sample was extracted and used for bio-assay. 4-NQO alone treated group decreased (27-60%) the antioxidant activities and promoted lipid peroxidation (LPO-60%) over their respective control values. Pretreatment with EAF, at the maximum dose (160 mg/Kg bwt) brought down the LPO up to 87% enhanced by 4-NQO. Among the enzymatic antioxidants, glutathione S-transferase (GST) was the most affected enzyme with 4-NQO and the least was catalase (CAT). Pretreatment with EAF (160 mg/Kg bwt), the restoration of antioxidants like glutathione peroxidase, superoxide dismutase, and CAT were found equal or less than 1.2 fold higher than that of the respective control values whereas, GST was observed to be the most restored antioxidant. Be reduced glutathione (GSH) and the least vitamin C over their control values. EAF restored the GSH and Vitamin E levels were found to be 1.2 fold higher than the respective control values. PMID:24250414

  1. Analysis of Veterinary Drug and Pesticide Residues Using the Ethyl Acetate Multiclass/Multiresidue Method in Milk by Liquid Chromatography-Tandem Mass Spectrometry

    PubMed Central

    Imamoglu, Husniye; Oktem Olgun, Elmas

    2016-01-01

    A rapid and simple multiclass, ethyl acetate (EtOAc) multiresidue method based on liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS) detection was developed for the determination and quantification of 26 veterinary drugs and 187 total pesticide residues in milk. Sample preparation was a simple procedure based on liquid–liquid extraction with ethyl acetate containing 0.1% acetic acid, followed by centrifugation and evaporation of the supernatant. The residue was dissolved in ethyl acetate with 0.1% acetic acid and centrifuged prior to LC-MS/MS analysis. Chromatographic separation of analytes was performed on an Inertsil X-Terra C18 column with acetic acid in methanol and water gradient. The repeatability and reproducibility were in the range of 2 to 13% and 6 to 16%, respectively. The average recoveries ranged from 75 to 120% with the RSD (n = 18). The developed method was validated according to the criteria set in Commission Decision 2002/657/EC and SANTE/11945/2015. The validated methodology represents a fast and cheap alternative for the simultaneous analysis of veterinary drug and pesticide residues which can be easily extended to other compounds and matrices. PMID:27293962

  2. Analysis of Veterinary Drug and Pesticide Residues Using the Ethyl Acetate Multiclass/Multiresidue Method in Milk by Liquid Chromatography-Tandem Mass Spectrometry.

    PubMed

    Imamoglu, Husniye; Oktem Olgun, Elmas

    2016-01-01

    A rapid and simple multiclass, ethyl acetate (EtOAc) multiresidue method based on liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS) detection was developed for the determination and quantification of 26 veterinary drugs and 187 total pesticide residues in milk. Sample preparation was a simple procedure based on liquid-liquid extraction with ethyl acetate containing 0.1% acetic acid, followed by centrifugation and evaporation of the supernatant. The residue was dissolved in ethyl acetate with 0.1% acetic acid and centrifuged prior to LC-MS/MS analysis. Chromatographic separation of analytes was performed on an Inertsil X-Terra C18 column with acetic acid in methanol and water gradient. The repeatability and reproducibility were in the range of 2 to 13% and 6 to 16%, respectively. The average recoveries ranged from 75 to 120% with the RSD (n = 18). The developed method was validated according to the criteria set in Commission Decision 2002/657/EC and SANTE/11945/2015. The validated methodology represents a fast and cheap alternative for the simultaneous analysis of veterinary drug and pesticide residues which can be easily extended to other compounds and matrices. PMID:27293962

  3. Hypoglycemic Effect of Ethanol and Ethyl Acetate Extract of Phellinus baumii Fruiting Body in Streptozotocin-Induced Diabetic Mice

    PubMed Central

    Wang, Wen-Han; Wu, Fei-Hua; Yang, Yan; Wu, Na; Zhang, Jing-Song; Feng, Na; Tang, Chuan-Hong

    2015-01-01

    We investigated hypoglycemic effect of ethanol (EtOH) and ethyl acetate extract acetate (AcOEt) extracts in streptozotocin- (STZ-) induced diabetic mice. Our data showed the maximum inhibitory effect on the fasting plasma glucose (FPG) level was detected in STZ-induced diabetic mice administered with 400 mg/kg AcOEt extract of P. baumii. A lower glycated albumin (GA) level and a higher insulin level were observed in 400 mg/kg AcOEt and EtOH extract groups. Moreover, 400 mg/kg AcOEt and EtOH extract exhibited a stronger effect on increasing size and cell number of islets. The insulin expression level of β-cells and integrated optical density (IOD) value were significantly increased by the administration of 400 mg/kg AcOEt and EtOH extracts. Taken together, AcOEt and EtOH extracts of P. baumii fruiting body exhibited considerable hypoglycemic effect on STZ-induced diabetic mice. PMID:26221177

  4. Mixtures of the 1-ethyl-3-methylimidazolium acetate ionic liquid with different inorganic salts: insights into their interactions.

    PubMed

    Oliveira, Filipe S; Cabrita, Eurico J; Todorovic, Smilja; Bernardes, Carlos E S; Lopes, José N Canongia; Hodgson, Jennifer L; MacFarlane, Douglas R; Rebelo, Luís P N; Marrucho, Isabel M

    2016-01-28

    In this work, we explore the interactions between the ionic liquid 1-ethyl-3-methylimidazolim acetate and different inorganic salts belonging to two different cation families, those based on ammonium and others based on sodium. NMR and Raman spectroscopy are used to screen for changes in the molecular environment of the ions in the ionic liquid + inorganic salt mixtures as compared to pure ionic liquid. The ion self-diffusion coefficients are determined from NMR data, allowing the discussion of the ionicity values of the ionic liquid + inorganic salt mixtures calculated using different methods. Our data reveal that preferential interactions are established between the ionic liquid and ammonium-based salts, as opposed to sodium-based salts. Computational calculations show the formation of aggregates between the ionic liquid and the inorganic salt, which is consistent with the spectroscopic data, and indicate that the acetate anion of the ionic liquid establishes preferential interactions with the ammonium cation of the inorganic salts, leaving the imidazolium cation less engaged in the media. PMID:26725329

  5. Kinetics of Exchange Between Zero-, One-, and Two-Hydrogen-Bonded States of Methyl and Ethyl Acetate in Methanol

    PubMed Central

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

    2015-01-01

    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 non-linear 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, 0.12 ps−1 for exchange between 1hb and 2hb states. PMID:25738661

  6. Electrochemical Partial Reforming of Ethanol into Ethyl Acetate Using Ultrathin Co3O4 Nanosheets as a Highly Selective Anode Catalyst

    PubMed Central

    2016-01-01

    Electrochemical partial reforming of organics provides an alternative strategy to produce valuable organic compounds while generating H2 under mild conditions. In this work, highly selective electrochemical reforming of ethanol into ethyl acetate is successfully achieved by using ultrathin Co3O4 nanosheets with exposed (111) facets as an anode catalyst. Those nanosheets were synthesized by a one-pot, templateless hydrothermal method with the use of ammonia. NH3 was demonstrated critical to the overall formation of ultrathin Co3O4 nanosheets. With abundant active sites on Co3O4 (111), the as-synthesized ultrathin Co3O4 nanosheets exhibited enhanced electrocatalytic activities toward water and ethanol oxidations in alkaline media. More importantly, over the Co3O4 nanosheets, the electrooxidation from ethanol to ethyl acetate was so selective that no other oxidation products were yielded. With such a high selectivity, an electrolyzer cell using Co3O4 nanosheets as the anode electrocatalyst and Ni–Mo nanopowders as the cathode electrocatalyst has been successfully built for ethanol reforming. The electrolyzer cell was readily driven by a 1.5 V battery to achieve the effective production of both H2 and ethyl acetate. After the bulk electrolysis, about 95% of ethanol was electrochemically reformed into ethyl acetate. This work opens up new opportunities in designing a material system for building unique devices to generate both hydrogen and high-value organics at room temperature by utilizing electric energy from renewable sources. PMID:27610415

  7. Thermochemistry and dissociation dynamics of state-selected C/sub 4/H/sub 8/O/sub 2//sup +/ ions. 3. Ethyl acetate

    SciTech Connect

    Fraser-Monteiro, L.; Fraser-Monteiro, M.L.; Butler, J.J.; Baer, T.

    1982-01-01

    The photoionization efficiency curves and appearance energies of C/sub 4/H/sub 8/O/sub 2//sup +/, C/sub 3/H/sub 5/O/sub 2//sup +/, C/sub 4/H/sub 6/O/sup +/, C/sub 2/H/sub 5/O/sub 2//sup +/, C/sub 2/H/sub 5/O/sup +/, C/sub 2/H/sub 3/O/sup +/, and C/sub 2/H/sub 5//sup +/ from ethyl acetate have been obtained. Structures and heats of formation of some of the ions are proposed. The ethyl acetate ion was found to be metastable in the vicinity of the first dissociation onset producing C/sub 4/H/sub 6/O/sup +/ (m/e 70) and H/sub 2/O. The decay rates as a function of parent ion internal energy were measured betwen 10.4 and 10.7 eV. The comparison of the observed rates with those calculated by use of the RRKM/QET statistical theory indicates that the the ethyl acetate ion isomerizes to a more stable ion prior to dissociation. The isomerized structure is neither that of dioxane nor butanoic acid, but may be the enol tautomer of ethyl acetate.

  8. Electrochemical Partial Reforming of Ethanol into Ethyl Acetate Using Ultrathin Co3O4 Nanosheets as a Highly Selective Anode Catalyst.

    PubMed

    Dai, Lei; Qin, Qing; Zhao, Xiaojing; Xu, Chaofa; Hu, Chengyi; Mo, Shiguang; Wang, Yu Olivia; Lin, Shuichao; Tang, Zichao; Zheng, Nanfeng

    2016-08-24

    Electrochemical partial reforming of organics provides an alternative strategy to produce valuable organic compounds while generating H2 under mild conditions. In this work, highly selective electrochemical reforming of ethanol into ethyl acetate is successfully achieved by using ultrathin Co3O4 nanosheets with exposed (111) facets as an anode catalyst. Those nanosheets were synthesized by a one-pot, templateless hydrothermal method with the use of ammonia. NH3 was demonstrated critical to the overall formation of ultrathin Co3O4 nanosheets. With abundant active sites on Co3O4 (111), the as-synthesized ultrathin Co3O4 nanosheets exhibited enhanced electrocatalytic activities toward water and ethanol oxidations in alkaline media. More importantly, over the Co3O4 nanosheets, the electrooxidation from ethanol to ethyl acetate was so selective that no other oxidation products were yielded. With such a high selectivity, an electrolyzer cell using Co3O4 nanosheets as the anode electrocatalyst and Ni-Mo nanopowders as the cathode electrocatalyst has been successfully built for ethanol reforming. The electrolyzer cell was readily driven by a 1.5 V battery to achieve the effective production of both H2 and ethyl acetate. After the bulk electrolysis, about 95% of ethanol was electrochemically reformed into ethyl acetate. This work opens up new opportunities in designing a material system for building unique devices to generate both hydrogen and high-value organics at room temperature by utilizing electric energy from renewable sources. PMID:27610415

  9. Diffusion of 1-ethyl-3-methyl-imidazolium acetate in glucose, cellobiose, and cellulose solutions.

    PubMed

    Ries, Michael E; Radhi, Asanah; Keating, Alice S; Parker, Owen; Budtova, Tatiana

    2014-02-10

    Solutions of glucose, cellobiose and microcrystalline cellulose in the ionic liquid 1-ethyl-3-methyl-imidazolium ([C2mim][OAc]) have been examined using pulsed-field gradient (1)H NMR. Diffusion coefficients of the cation and anion across the temperature range 20-70 °C have been determined for a range of concentrations (0-15% w/w) of each carbohydrate in [C2mim][OAc]. These systems behave as an "ideal mixture" of free ions and ions that are associated with the carbohydrate molecules. The molar ratio of carbohydrate OH groups to ionic liquid molecules, α, is the key parameter in determining the diffusion coefficients of the ions. Master curves for the diffusion coefficients of cation, anion and their activation energies are generated upon which all our data collapses when plotted against α. Diffusion coefficients are found to follow an Arrhenius type behavior and the difference in translational activation energy between free and associated ions is determined to be 9.3 ± 0.9 kJ/mol. PMID:24405090

  10. Diffusion of 1-Ethyl-3-methyl-imidazolium Acetate in Glucose, Cellobiose, and Cellulose Solutions

    PubMed Central

    2014-01-01

    Solutions of glucose, cellobiose and microcrystalline cellulose in the ionic liquid 1-ethyl-3-methyl-imidazolium ([C2mim][OAc]) have been examined using pulsed-field gradient 1H NMR. Diffusion coefficients of the cation and anion across the temperature range 20–70 °C have been determined for a range of concentrations (0–15% w/w) of each carbohydrate in [C2mim][OAc]. These systems behave as an “ideal mixture” of free ions and ions that are associated with the carbohydrate molecules. The molar ratio of carbohydrate OH groups to ionic liquid molecules, α, is the key parameter in determining the diffusion coefficients of the ions. Master curves for the diffusion coefficients of cation, anion and their activation energies are generated upon which all our data collapses when plotted against α. Diffusion coefficients are found to follow an Arrhenius type behavior and the difference in translational activation energy between free and associated ions is determined to be 9.3 ± 0.9 kJ/mol. PMID:24405090

  11. (R)-1-Phenyl­ethyl­ammonium trifluoro­acetate

    PubMed Central

    Hernández Linares, María-Guadalupe; Guerrero Luna, Gabriel; Bernès, Sylvain

    2010-01-01

    In the crystal structure of the title salt, C8H12N+·C2F3O2 −, all of the ammonium H atoms serve as donors for hydrogen bonds to carboxyl­ate O atoms, forming an R 4 3(10) ring motif based on two cations and two anions. Since both cations and anions act as inter-ion bridging groups, R(10) rings aggregate in a one-dimensional supra­molecular network by sharing the strongest N—H⋯O bond. Edge-sharing motifs lie on the twofold screw axis parallel to [010], and anti­parallel packing of these 21-column structural units results in the crystal structure. This arrangement is one of the most commonly occurring in conglomerates of chiral 1-phenyl­ethyl­amine with achiral monocarboxylic acids, confirming that these ionic salts are particularly robust supra­molecular heterosynthons useful in crystal engineering. PMID:21579169

  12. Simulations reveal conformational changes of methylhydroxyl groups during dissolution of cellulose Iβ in ionic liquid 1-ethyl-3-methylimidazolium acetate.

    PubMed

    Liu, Hanbin; Cheng, Gang; Kent, Michael; Stavila, Vitalie; Simmons, Blake A; Sale, Kenneth L; Singh, Seema

    2012-07-19

    In this work, we use molecular dynamics (MD) simulations to study the dissolution of microcrystalline cellulose in the ionic liquid 1-ethyl-3-methylimidazolium acetate (abbreviated as [C2mim][OAc]) at 20 wt % loading. The interactions of [C2mim][OAc] with the Iβ cellulose structure at 120 °C were studied. The results show that both the cation and the anion of [C2mim][OAc] penetrate into the cellulose Iβ crystal structure but that the anion in particular forms strong hydrogen bonds with cellulose. Our results also show that the methylhydroxyl groups of cellulose solvated in [C2mim][OAc] are predominantly in the gauche-trans (gt) conformation, in contrast to the dominant trans-gauche (tg) conformation of cellulose Iβ in air or the gauche-gauche (gg) conformation for cellulose chains in water or after pretreatment with ammonia. Because the gt conformation is found mainly in cellulose II, these simulations suggest that regenerated cellulose under similar pretreatment conditions is composed mainly of cellulose II, and this result was confirmed by X-ray diffraction of samples processed under similar pretreatment conditions. These simulations provide new insight into the efficacy of [C2mim][OAc] pretreatment, suggesting that [C2mim][OAc] interacts with and biases the methylhydroxyl groups of cellulose toward orientations that are consistent with the experimentally observed more easily hydrolyzed cellulose II. PMID:22574852

  13. Protective Effect of the Ethyl Acetate Fraction of Sargassum muticum Against Ultraviolet B–Irradiated Damage in Human Keratinocytes

    PubMed Central

    Piao, Mei Jing; Yoon, Weon Jong; Kang, Hee Kyoung; Yoo, Eun Sook; Koh, Young Sang; Kim, Dong Sam; Lee, Nam Ho; Hyun, Jin Won

    2011-01-01

    The aim of this study was to investigate the cytoprotective properties of the ethyl acetate fraction of Sargassum muticum (SME) against ultraviolet B (UVB)-induced cell damage in human keratinocytes (HaCaT cells). SME exhibited scavenging activity toward the 1,1-diphenyl-2-picrylhydrazyl radicals and hydrogen peroxide (H2O2) and UVB-induced intracellular reactive oxygen species (ROS). SME also scavenged the hydroxyl radicals generated by the Fenton reaction (FeSO4 + H2O2), which was detected using electron spin resonance spectrometry. In addition, SME decreased the level of lipid peroxidation that was increased by UVB radiation, and restored the level of protein expression and the activities of antioxidant enzymes that were decreased by UVB radiation. Furthermore, SME reduced UVB-induced apoptosis as shown by decreased DNA fragmentation and numbers of apoptotic bodies. These results suggest that SME protects human keratinocytes against UVB-induced oxidative stress by enhancing antioxidant activity in cells, thereby inhibiting apoptosis. PMID:22174656

  14. Cellular Anti-Melanogenic Effects of a Euryale ferox Seed Extract Ethyl Acetate Fraction via the Lysosomal Degradation Machinery

    PubMed Central

    Baek, Seung-Hwa; Nam, In-Jeong; Kwak, Hyeong Seob; Kim, Ki-Chan; Lee, Sang-Han

    2015-01-01

    The aim of this study was to investigate the effect of ethyl acetate fraction of Euryale ferox seed extracts (Efse-EA) on melanogenesis in immortalized mouse melanocyte cell line, melan-a. Efse-EA showed strong dose-dependent mushroom tyrosinase inhibitory activity. Treatment of melan-a cells with 30 μg/mL Efse-EA produced strong inhibition of cellular tyrosinase and melanin synthesis. Efse-EA significantly reduced the levels of melanogenesis-related proteins, such as tyrosinase, tyrosinase-related proteins 1 and 2, and microphthalmia-associated transcription factor. Because Efse-EA treatment reduced tyrosinase protein levels without changing its mRNA expression, we investigated whether this decrease was related to proteasomal or lysosomal degradation of tyrosinase. We found that chloroquine, a lysosomal proteolysis inhibitor, almost completely abolished both the down-regulation of tyrosinase and the inhibition of melanin synthesis induced by Efse-EA. These results suggested that Efse-EA may contribute to the inhibition of melanogenesis by altering lysosomal degradation of tyrosinase, and that this extract may provide a new cosmetic skin-whitening agent. PMID:25915032

  15. An ethyl acetate fraction of Moringa oleifera Lam. Inhibits human macrophage cytokine production induced by cigarette smoke.

    PubMed

    Kooltheat, Nateelak; Sranujit, Rungnapa Pankla; Chumark, Pilaipark; Potup, Pachuen; Laytragoon-Lewin, Nongnit; Usuwanthim, Kanchana

    2014-01-01

    Moringa oleifera Lam. (MO) has been reported to harbor anti-oxidation and anti-inflammatory activity and useful in the treatment of inflammatory diseases. However, despite these findings there has been little work done on the effects of MO on immune cellular function. Since macrophages, TNF and related cytokines play an important pathophysiologic role in lung damage induced by cigarette smoke, we examined the effects of MO on cigarette smoke extract (CSE)-induced cytokine production by human macrophages. An ethyl acetate fraction of MO (MOEF) was prepared from fresh leaves extract of Moringa and shown to consist of high levels of phenolic and antioxidant activities. Human monocyte derived macrophages (MDM) pre-treated with varying concentrations of MOEF showed decreased production of TNF, IL-6 and IL-8 in response to both LPS and CSE. The decrease was evident at both cytokine protein and mRNA levels. Furthermore, the extract inhibited the expression of RelA, a gene implicated in the NF-κB p65 signaling in inflammation. The findings highlight the ability of MOEF to inhibit cytokines (IL-8) which promote the infiltration of neutrophils into the lungs and others (TNF, IL-6) which mediate tissue disease and damage. PMID:24553063

  16. Characteristics of starch-based films with different amylose contents plasticised by 1-ethyl-3-methylimidazolium acetate.

    PubMed

    Xie, Fengwei; Flanagan, Bernadine M; Li, Ming; Truss, Rowan W; Halley, Peter J; Gidley, Michael J; McNally, Tony; Shamshina, Julia L; Rogers, Robin D

    2015-05-20

    Starch-based films plasticised by an ionic liquid, 1-ethyl-3-methylimidazolium acetate ([Emim][OAc]), were prepared by a simple compression moulding process, facilitated by the strong plasticisation effect of [Emim][OAc]. The effects of amylose content of starch (regular vs. high-amylose maize) and relative humidity (RH) during ageing of the samples on a range of structural and material characteristics were investigated. Surprisingly, plasticisation by [Emim][OAc] made the effect of amylose content insignificant, contrary to most previous studies when other plasticisers were used. In other words, [Emim][OAc] changed the underlying mechanism responsible for mechanical properties from the entanglement of starch macromolecules (mainly amylose), which has been reported as a main responsible factor previously. The crystallinity of the plasticised starch samples was low and thus was unlikely to have a major contribution to the material characteristics, although the amylose content impacted on the crystalline structure and the mobility of amorphous parts in the samples to some extent. Therefore, RH conditioning and thus the sample water content was the major factor influencing the mechanical properties, glass transition temperature, and electrical conductivity of the starch films. This suggests the potential application of ionic liquid-plasticised starch materials in areas where the control of properties by environmental RH is desired. PMID:25817655

  17. Identification of Neuroactive Constituents of the Ethyl Acetate Fraction from Cyperi Rhizoma Using Bioactivity-Guided Fractionation

    PubMed Central

    Sim, Yeomoon; Choi, Jin Gyu; Gu, Pil Sung; Ryu, Byeol; Kim, Jeong Hee; Kang, Insug; Jang, Dae Sik; Oh, Myung Sook

    2016-01-01

    Cyperi Rhizoma (CR), the rhizome of Cyperus rotundus L., exhibits neuroprotective effects in in vitro and in vivo models of neuronal diseases. Nevertheless, no study has aimed at finding the neuroactive constituent(s) of CR. In this study, we identified active compounds in a CR extract (CRE) using bioactivity-guided fractionation. We first compared the anti-oxidative and neuroprotective activities of four fractions and the CRE total extract. Only the ethyl acetate (EA) fraction revealed strong activity, and further isolation from the bioactive EA fraction yielded nine constituents: scirpusin A (1), scirpusin B (2), luteolin (3), 6′-acetyl-3,6-diferuloylsucrose (4), 4′,6′ diacetyl-3,6-diferuloylsucrose (5), p-coumaric acid (6), ferulic acid (7), pinellic acid (8), and fulgidic acid (9). The activities of constituents 1–9 were assessed in terms of anti-oxidative, neuroprotective, anti-inflammatory, and anti-amyloid-β activities. Constituents 1, 2, and 3 exhibited strong activities; constituents 1 and 2 were characterized for the first time in this study. These results provide evidence for the value of CRE as a source of multi-functional neuroprotectants, and constituents 1 and 2 may represent new candidates for further development in therapeutic use against neurodegenerative diseases. PMID:27350341

  18. Identification of Neuroactive Constituents of the Ethyl Acetate Fraction from Cyperi Rhizoma Using Bioactivity-Guided Fractionation.

    PubMed

    Sim, Yeomoon; Choi, Jin Gyu; Gu, Pil Sung; Ryu, Byeol; Kim, Jeong Hee; Kang, Insug; Jang, Dae Sik; Oh, Myung Sook

    2016-07-01

    Cyperi Rhizoma (CR), the rhizome of Cyperus rotundus L., exhibits neuroprotective effects in in vitro and in vivo models of neuronal diseases. Nevertheless, no study has aimed at finding the neuroactive constituent(s) of CR. In this study, we identified active compounds in a CR extract (CRE) using bioactivity-guided fractionation. We first compared the anti-oxidative and neuroprotective activities of four fractions and the CRE total extract. Only the ethyl acetate (EA) fraction revealed strong activity, and further isolation from the bioactive EA fraction yielded nine constituents: scirpusin A (1), scirpusin B (2), luteolin (3), 6'-acetyl-3,6-diferuloylsucrose (4), 4',6' diacetyl-3,6-diferuloylsucrose (5), p-coumaric acid (6), ferulic acid (7), pinellic acid (8), and fulgidic acid (9). The activities of constituents 1-9 were assessed in terms of anti-oxidative, neuroprotective, anti-inflammatory, and anti-amyloid-β activities. Constituents 1, 2, and 3 exhibited strong activities; constituents 1 and 2 were characterized for the first time in this study. These results provide evidence for the value of CRE as a source of multi-functional neuroprotectants, and constituents 1 and 2 may represent new candidates for further development in therapeutic use against neurodegenerative diseases. PMID:27350341

  19. Inhibition of hepatitis C virus replication and viral helicase by ethyl acetate extract of the marine feather star Alloeocomatella polycladia.

    PubMed

    Yamashita, Atsuya; Salam, Kazi Abdus; Furuta, Atsushi; Matsuda, Yasuyoshi; Fujita, Osamu; Tani, Hidenori; Fujita, Yoshihisa; Fujimoto, Yuusuke; Ikeda, Masanori; Kato, Nobuyuki; Sakamoto, Naoya; Maekawa, Shinya; Enomoto, Nobuyuki; Nakakoshi, Masamichi; Tsubuki, Masayoshi; Sekiguchi, Yuji; Tsuneda, Satoshi; Akimitsu, Nobuyoshi; Noda, Naohiro; Tanaka, Junichi; Moriishi, Kohji

    2012-04-01

    Hepatitis C virus (HCV) is a causative agent of acute and chronic hepatitis, leading to the development of hepatic cirrhosis and hepatocellular carcinoma. We prepared extracts from 61 marine organisms and screened them by an in vitro fluorescence assay targeting the viral helicase (NS3), which plays an important role in HCV replication, to identify effective candidates for anti-HCV agents. An ethyl acetate-soluble fraction of the feather star Alloeocomatella polycladia exhibited the strongest inhibition of NS3 helicase activity, with an IC(50) of 11.7 µg/mL. The extract of A. polycladia inhibited interaction between NS3 and RNA but not ATPase of NS3. Furthermore, the replication of the replicons derived from three HCV strains of genotype 1b in cultured cells was suppressed by the extract with an EC(50) value of 23 to 44 µg/mL, which is similar to the IC(50) value of the NS3 helicase assay. The extract did not induce interferon or inhibit cell growth. These results suggest that the unknown compound(s) included in A. polycladia can inhibit HCV replication by suppressing the helicase activity of HCV NS3. This study may present a new approach toward the development of a novel therapy for chronic hepatitis C. PMID:22690141

  20. Ethyl acetate Salix alba leaves extract-loaded chitosan-based hydrogel film for wound dressing applications.

    PubMed

    Qureshi, Mohammad A; Khatoon, Fehmeeda; Rizvi, Moshahid A; Zafaryab, Md

    2015-01-01

    High toxicity and multidrug resistance associated with various standard antimicrobial drugs have necessitated search for safer alternatives in plant-derived materials. In this study, we performed biological examination of chitosan-based hydrogel film loaded with ethyl acetate Salix alba leaves extract against 11 standard laboratory strains. FTIR showed regeneration of saccharide peak in CP1A at 1047 cm(-1) and increased in height of other peaks. DSC exothermic decomposition peaks at 112 °C, 175 °C and 251 °C reveal the effect of extract on hydrogel film. From FESEM images, three-dimensional cross-linking and extract easily seen in the globular form from the surface. MTT assay on HEK 293 cells showed that CP1A was non-toxic. Minimum inhibitory concentration ranges from 4000 μg/ml to 125 μg/ml. Enterococcus faecium, Candida glabrata and Candida tropicalis were the most resistant, while Salmonella typhi and Candida guilliermondii were the most susceptible micro-organisms. PMID:26525493

  1. Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate

    NASA Astrophysics Data System (ADS)

    Śmialek, Malgorzata A.; Łabuda, Marta; Guthmuller, Julien; Hubin-Franskin, Marie-Jeanne; Delwiche, Jacques; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J.; Limão-Vieira, Paulo

    2016-06-01

    The high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5-10.7 eV (275.5-116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections have been used to calculate the photolysis lifetime of this ester in the upper stratosphere (20-50 km). Calculations have also been carried out to determine the ionisation energies and fine structure of the lowest ionic state of ethyl acetate and are compared with a newly recorded photoelectron spectrum (from 9.5 to 16.7 eV). Vibrational structure is observed in the first photoelectron band of this molecule for the first time.

  2. The effect of pomelo mix ethyl acetate extract on CYP3A6 and P-glycoprotein gene transcripts in rabbits.

    PubMed

    Irshaid, Yacoub M; Zihlef, Malek A; Zmeili, Suheil M; Al-Antary, Eman T; Zmaily, Mais G; Al-Embideen, Somya N; Amireh, Abdallah O

    2014-07-01

    Pomelo fruit juice and pomelo ethylacetate extract have been shown to increase the bioavailability of some CYP3A substrates. The purpose of this study was to investigate if this effect might be contributed to by changes in CYP3A and p-glycoprotein mRNAs levels in the liver and proximal small intestine. The ethyl acetate extract of pomelo mix was administered for 7 days to 10 rabbits. Nine rabbits were administered tap water for 7 days. The administration was through oral intubation to the stomach. On the 8(th) day, the rabbits were sacrificed, and the liver and the proximal 15 cm of the small intestine were dissected. Total RNA was extracted from the specimens and cDNA was prepared by quantitative real-time-polymerase chain reaction (RT-PCR) using specific primers. The ethyl acetate extract of pomelo mix reduced the mRNA expression of CYP3A6 almost 5-folds in the intestine and 2-folds in the liver. In contrast, a 1-fold increase to the p-glycoprotein mRNA expression was observed under the same experimental conditions. In conclusion, the ethyl acetate extract of pomelo mix reduced the mRNA expression of CYP3A6 in both intestine and liver but to different degrees, while the p-glycoprotein mRNA expression was not reduced. PMID:24856265

  3. In vitro ovicidal assessment of methanol, ethyl acetate and chloroform extracts of Annona squamosa and Chenopodium album against caprine gastrointestinal nematodiosis.

    PubMed

    Sachan, Arti; Shanker, Daya; Jaiswal, Amit Kumar; Sudan, Vikrant

    2015-03-01

    The objective of this study was in vitro evaluation of the ovicidal efficacy of methanol, ethyl acetate and chloroform extracts of Annona squamosa (seeds) and Chenopodium album (whole plant) in comparison to albendazole against the GI nematodes of goats using egg hatch test. Eggs of GI nematodes were incubated at 27 °C in different extracts at concentration of 100-6.25 mg/ml for 2 days. Distilled water and albendazole were used as negative and positive controls, respectively. Percentage efficacy and ED50 and ED90 values were separately evaluated with upper and lower confidence limit by log probit analysis using SAS 9.2. The ED50 and ED90 values of methanolic, ethyl acetate and chloroform extracts of A. squamosa was calculated as 1.52 and 4.56; 2.48 and 10.73; 3.02 and 12.44 mg/ml, respectively against GI nematodes if goats. Similarly, the ED50 and ED90 values of methanolic, ethyl acetate and chloroform extracts of C. album was calculated as 3.86 and 7.14; 2.73 and 8.31; 4.41 and 20.11 mg/ml, respectively This study shows that C. album and A. squamosa possess in vitro anthelmintic activities. The study also suggests further large scale pharmacological and toxicological studies for their safer use in veterinary medicine. PMID:25698862

  4. Oxidation of ethyl acetate by a high performance nanostructure (Ni, Mn)-Ag/ZSM-5 bimetallic catalysts and development of an artificial neural networks predictive modeling.

    PubMed

    Jodaei, Azadeh; Salari, Darush; Niaei, Ali; Khatamian, Masumeh; Hosseini, Seyed Ali

    2011-01-01

    The catalytic oxidation of ethyl acetate in low concentration was investigated over mono-metallic Ag/ZSM5 and bimetallic (Ni, Mn)-Ag/ZSM-5 catalysts. Catalytic studies were carried out in a catalytic fixed bed reactor under atmospheric pressure. The sequence of catalytic activity was as follows: Ni-Ag-ZSM-5 > Mn-Ag-ZSM-5 > Ag-ZSM-5 > H-ZSM-5. The catalysts were characterized by ICP-AES, X-ray diffraction (XRD), low temperature nitrogen adsorption, NH(3)-TPD, transmission electron microscopy (TEM), scanning electron microscopy (SEM) and diffuse reflectance UV-vis spectra (UV-vis). An artificial neural networks (ANN) model was developed to predict the performance of catalytic oxidation process over bimetallic Ni-Ag/ZSM-5 catalyst based on experimental data. For this purpose the standard feed forward back propagation algorithm was employed to train the model by using laboratory experimental data. A good agreement was resulted between experimental results and those obtained by ANN. Following order for variables effects on conversion yield of ethyl acetate was predicted by ANN model: reaction temperature (32.99%) > Ag loading (27.38%) > initial ethyl acetate concentration (23.58%) > Ni loading (16.05%). PMID:21104495

  5. Ethyl Acetate Extract of Origanum vulgare L. ssp. hirtum Prevents Streptozotocin-Induced Diabetes in C57BL/6 Mice.

    PubMed

    Vujicic, Milica; Nikolic, Ivana; Kontogianni, Vassiliki G; Saksida, Tamara; Charisiadis, Pantelis; Vasic, Bobana; Stosic-Grujicic, Stanislava; Gerothanassis, Ioannis P; Tzakos, Andreas G; Stojanovic, Ivana

    2016-07-01

    Type 1 diabetes (T1D) is an autoimmune disease that develops as a consequence of pancreatic β-cell death induced by proinflammatory mediators. Because Origanum vulgare L. ssp. hirtum (Greek oregano) contains antiinflammatory molecules, we hypothesized that it might be beneficial for the treatment of T1D. An ethyl acetate extract of oregano (EAO) was prepared from the leaves by a polar extraction method. Phytochemical composition was determined by liquid chromatography-UV diode array coupled to ion-trap mass spectrometry with electrospray ionization interface (LC/DAD/ESI-MS(n) ). In vitro immunomodulatory effect of EAO was estimated by measuring proliferation (MTT) or cytokine secretion (ELISA) from immune cells. Diabetes was induced by multiple low doses of streptozotocin (MLDS) in male C57BL/6 mice and EAO was administered intraperitoneally for 10 d. Determination of cellular composition (flow cytometry) and cytokine production (ELISA) was performed on 12th d after diabetes induction. EAO suppressed the function of both macrophages and lymphocytes in vitro. In vivo, EAO treatment significantly preserved pancreatic islets and reduced diabetes incidence in MLDS-challenged mice. Besides down-modulatory effect on macrophages, EAO reduced the number of total CD4(+) and activated CD4(+) CD25(+) T cells. Furthermore, EAO affected the number of T helper 1 (Th1) and T helper 17 (Th17) cells through downregulation of their key transcription factors T-bet and RORγT. Because EAO treatment protects mice from development of hyperglycemia by reducing proinflammatory macrophage/Th1/Th17 response, this plant extract could represent a basis for future diabetes therapy. PMID:27219840

  6. Different characteristic effects of ageing on starch-based films plasticised by 1-ethyl-3-methylimidazolium acetate and by glycerol.

    PubMed

    Zhang, Binjia; Xie, Fengwei; Zhang, Tianlong; Chen, Ling; Li, Xiaoxi; Truss, Rowan W; Halley, Peter J; Shamshina, Julia L; McNally, Tony; Rogers, Robin D

    2016-08-01

    The focus of this study was on the effects of plasticisers (the ionic liquid 1-ethyl-3-methylimidazolium acetate, or [Emim][OAc]; and glycerol) on the changes of starch structure on multiple length scales, and the variation in properties of plasticised starch-based films, during ageing. The films were prepared by a simple melt compression moulding process, followed by storage at different relative humidity (RH) environments. Compared with glycerol, [Emim][OAc] could result in greater homogeneity in [Emim][OAc]-plasticised starch-based films (no gel-like aggregates and less molecular order (crystallites) on the nano-scale). Besides, much weaker starch-starch interactions but stronger starch-[Emim][OAc] interactions at the molecular level led to reduced strength and stiffness but increased flexibility of the films. More importantly, [Emim][OAc] (especially at high content) was revealed to more effectively maintain the plasticised state during ageing than glycerol: the densification (especially in the amorphous regions) was suppressed; and the structural characteristics especially on the nano-scale were stabilised (especially at a high RH), presumably due to the suppressed starch molecular interactions by [Emim][OAc] as confirmed by Raman spectroscopy. Such behaviour contributed to stabilised mechanical properties. Nonetheless, the crystallinity and thermal stability of starch-based films with both plasticisers were much less affected by ageing and moisture uptake during storage (42 days), but mostly depended on the plasticiser type and content. As starch is a typical semi-crystalline bio-polymer containing abundant hydroxyl groups and strong hydrogen bonding, the findings here could also be significant in creating materials from other similar biopolymers with tailored sensitivity and properties to the environment. PMID:27112852

  7. Ethyl acetate extracts of alfalfa (Medicago sativa L.) sprouts inhibit lipopolysaccharide-induced inflammation in vitro and in vivo.

    PubMed

    Hong, Yong-Han; Chao, Wen-Wan; Chen, Miaw-Ling; Lin, Bi-Fong

    2009-01-01

    This study aimed to investigate if food components that exert anti-inflammatory effects may be used for inflammatory disorders by examining alfalfa sprout ethyl acetate extract (ASEA). The cytokine profile and life span of BALB/c mice with acute inflammation after intra-peritoneal (ip) injection of 15 mg/kg BW lipopolysaccharide (LPS) were determined. The results showed that the life span of LPS-induced inflammatory mice were negatively correlated with serum levels of TNF-alpha, IL-6, and IL-1beta at 9 hr after LPS-injection, which indicated that suppressing these cytokines in the late phase of inflammation may be beneficial for survival. The in vitro experiment then showed that ASEA significantly reduced IL-6 and IL-1beta production and the NF-kappaB trans-activation activity of mitogen-stimulated RAW264.7 cells. To further evaluate the anti-inflammatory effects of ASEA in vivo, BALB/c mice were tube-fed with 25 mg ASEA/kg BW/day in 50 microl sunflower oil, while the control and PDTC (pyrrolidine dithiocarbamate, an anti-inflammatory agent) groups were tube-fed with 50 microl sunflower oil/day only. After one week of tube-feeding, the PDTC group was injected with 50 mg/kg BW PDTC and one hour later, all of the mice were injected with 15 mg/kg BW LPS. The results showed that the ASEA and PDTC groups had significantly lower serum TNF-alpha, IL-6, and IL-1beta levels at 9 hr after LPS challenge, and significantly higher survival rates than the control group. This study suggests that ASEA supplementation can suppress the production of pro-inflammatory cytokines and alleviate acute inflammatory hazards. PMID:19594948

  8. Modification and re-validation of the ethyl acetate-based multi-residue method for pesticides in produce

    PubMed Central

    Rooseboom, Astrid; van Dam, Ruud; Roding, Marleen; Arondeus, Karin; Sunarto, Suryati

    2007-01-01

    The ethyl acetate-based multi-residue method for determination of pesticide residues in produce has been modified for gas chromatographic (GC) analysis by implementation of dispersive solid-phase extraction (using primary–secondary amine and graphitized carbon black) and large-volume (20 μL) injection. The same extract, before clean-up and after a change of solvent, was also analyzed by liquid chromatography with tandem mass spectrometry (LC–MS–MS). All aspects related to sample preparation were re-assessed with regard to ease and speed of the analysis. The principle of the extraction procedure (solvent, salt) was not changed, to avoid the possibility invalidating data acquired over past decades. The modifications were made with techniques currently commonly applied in routine laboratories, GC–MS and LC–MS–MS, in mind. The modified method enables processing (from homogenization until final extracts for both GC and LC) of 30 samples per eight hours per person. Limits of quantification (LOQs) of 0.01 mg kg−1 were achieved with both GC–MS (full-scan acquisition, 10 mg matrix equivalent injected) and LC–MS–MS (2 mg injected) for most of the pesticides. Validation data for 341 pesticides and degradation products are presented. A compilation of analytical quality-control data for pesticides routinely analyzed by GC–MS (135 compounds) and LC–MS–MS (136 compounds) in over 100 different matrices, obtained over a period of 15 months, are also presented and discussed. At the 0.05 mg kg−1 level acceptable recoveries were obtained for 93% (GC–MS) and 92% (LC–MS–MS) of pesticide–matrix combinations. PMID:17563885

  9. Assessment of Phenolic Compounds and Anti-Inflammatory Activity of Ethyl Acetate Phase of Anacardium occidentale L. Bark.

    PubMed

    Vilar, Marina Suênia de Araújo; de Souza, Graziene Lopes; Vilar, Daniela de Araújo; Leite, Jacqueline Alves; Raffin, Fernanda Nervo; Barbosa-Filho, José Maria; Nogueira, Fernando Henrique Andrade; Rodrigues-Mascarenhas, Sandra; Moura, Túlio Flávio Accioly de Lima

    2016-01-01

    The bark of A. occidentale L. is rich in tannins. Studies have described various biological activities of the plant, including antimicrobial, antioxidant, antiulcerogenic and antiinflammatory actions. The objective of this study was to assess the activity of the ethyl acetate phase (EtOAc) of A. occidentale on acute inflammation and to identify and quantify its phenolic compounds by HPLC. The method was validated and shown to be linear, precise and accurate for catechin, epicatechin, epigallocatechin and gallic acid. Swiss albino mice (Mus musculus) were treated with saline, Carrageenan (2.5%), Indomethacin (10 mg/kg), Bradykinin (6 nmol) and Prostaglandine E2 (5 µg) at different concentrations of EtOAc - A. occidentale (12.5; 25; 50; and 100 mg/kg/weight p.o.) for the paw edema test. Challenge was performed with carrageenan (500 µg/mL i.p.) for the doses 50 and 100 mg/kg of EtOAc. Levels of cytokines IL-1, TNF-α, IL-6 and IL-10 were also measured. All EtOAc - A. occidentale concentrations reduced the edema. At 50 and 100 mg/kg, an anti-inflammatory response of the EtOAc was observed. Carrageenan stimulus produced a neutrophil count of 28.6% while 50 and 100 mg/kg of the phase reduced this to 14.5% and 9.1%, respectively. The EtOAc extract reduced levels of IL-1 and TNF-α. These results suggest that the EtOAc plays a modulatory role in the inflammatory response. The chromatographic method can be used for the analysis of the phenolic compounds of the EtOAc phase. PMID:27548136

  10. Crystal structure of ethyl 2-[2-(4-methyl­benzo­yl)-5-p-tolyl-1H-imidazol-1-yl]acetate

    PubMed Central

    Prabha, E. Arockia Jeya Yasmi; Kumar, S. Suresh; Padala, Anil K.; Ahmed, Qazi Naveed; Athimoolam, S.

    2016-01-01

    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 R 2 2(12) ring motifs, linking the imidazole ring system to the benzene ring of the p-tolyl substituent. PMID:27006805

  11. Crystal structure of ethyl 2-[2-(4-methyl-benzo-yl)-5-p-tolyl-1H-imidazol-1-yl]acetate.

    PubMed

    Prabha, E Arockia Jeya Yasmi; Kumar, S Suresh; Padala, Anil K; Ahmed, Qazi Naveed; Athimoolam, S

    2016-03-01

    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 mol-ecular structure is affected by an intra-molecular 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 inter-molecular C-H⋯O and C-H⋯N inter-actions. 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 R 2 (2)(12) ring motifs, linking the imidazole ring system to the benzene ring of the p-tolyl substituent. PMID:27006805

  12. Effect of total hydroalcholic extract of Nigella sativa and its n-hexane and ethyl acetate fractions on ACHN and GP-293 cell lines

    PubMed Central

    Shahraki, Samira; Khajavirad, Abolfazl; Shafei, Mohammad Naser; Mahmoudi, Mahmoud; Tabasi, Nafisa Sadat

    2015-01-01

    Medicinal plants are noted for their many advantages including the ability to treat diseases such as cancer. In this study, we examined the antitumor effect of the medicinal plant Nigella sativa on the morphology, survival, and apoptosis of ACHN (human renal adenocarcinoma) and GP-293 (normal renal epithelial) cell lines. From a hydroalcoholic extract of N. sativa, n-hexane and ethyl acetate fractions were extracted. Cells were treated with various concentrations of total hydroalcholic extract and n-hexane and ethyl acetate fractions; cell viability, morphological changes, and apoptosis were then determined. Results were presented as mean ± standard error of the mean (SEM). One-way analysis of variance (ANOVA) was applied for the statistical analysis of the data. The total extract and the fractions in a dose- and time-dependent manner reduced the cell viability in ACHN with no effect on the GP-293 cell line. In addition, the total extract resulted in more morphological changes in the ACHN cells compared to the GP-293 cells. The effect of the total extract in inducing apoptosis after 48 hours in the ACHN cell line was greater than in GP-293. In addition, the effect of the two fractions was lower than the total extract at all used concentrations. Therefore, the effect of total extract and n-hexane and ethyl acetate fractions of N. sativa on cell viability and apoptosis in the ACHN cell line is greater than in the GP-293 cell line. However, the effect of the total extract is higher than either of the two fractions on their own. PMID:26870685

  13. Effect of total hydroalcholic extract of Nigella sativa and its n-hexane and ethyl acetate fractions on ACHN and GP-293 cell lines.

    PubMed

    Shahraki, Samira; Khajavirad, Abolfazl; Shafei, Mohammad Naser; Mahmoudi, Mahmoud; Tabasi, Nafisa Sadat

    2016-01-01

    Medicinal plants are noted for their many advantages including the ability to treat diseases such as cancer. In this study, we examined the antitumor effect of the medicinal plant Nigella sativa on the morphology, survival, and apoptosis of ACHN (human renal adenocarcinoma) and GP-293 (normal renal epithelial) cell lines. From a hydroalcoholic extract of N. sativa, n-hexane and ethyl acetate fractions were extracted. Cells were treated with various concentrations of total hydroalcholic extract and n-hexane and ethyl acetate fractions; cell viability, morphological changes, and apoptosis were then determined. Results were presented as mean ± standard error of the mean (SEM). One-way analysis of variance (ANOVA) was applied for the statistical analysis of the data. The total extract and the fractions in a dose- and time-dependent manner reduced the cell viability in ACHN with no effect on the GP-293 cell line. In addition, the total extract resulted in more morphological changes in the ACHN cells compared to the GP-293 cells. The effect of the total extract in inducing apoptosis after 48 hours in the ACHN cell line was greater than in GP-293. In addition, the effect of the two fractions was lower than the total extract at all used concentrations. Therefore, the effect of total extract and n-hexane and ethyl acetate fractions of N. sativa on cell viability and apoptosis in the ACHN cell line is greater than in the GP-293 cell line. However, the effect of the total extract is higher than either of the two fractions on their own. PMID:26870685

  14. Anticancer Effects of 1,3-Dihydroxy-2-Methylanthraquinone and the Ethyl Acetate Fraction of Hedyotis Diffusa Willd against HepG2 Carcinoma Cells Mediated via Apoptosis.

    PubMed

    Li, Yun-Lan; Zhang, Jiali; Min, Dong; Hongyan, Zhou; Lin, Niu; Li, Qing-Shan

    2016-01-01

    Hedyotis Diffusa Willd, used in Traditional Chinese Medicine, is a treatment for various diseases including cancer, owing to its mild effectiveness and low toxicity. The aim of this study was to identify the main anticancer components in Hedyotis Diffusa Willd, and explore mechanisms underlying their activity. Hedyotis Diffusa Willd was extracted and fractionated using ethyl acetate to obtain the H-Ethyl acetate fraction, which showed higher anticancer activity than the other fractions obtained against HepG2 cells with sulforhodamine B assays. The active component of the H-Ethyl acetate fraction was identified to be 1,3-dihydroxy-2-methylanthraquinone (DMQ) with much high inhibitory rate up to 48.9 ± 3.3% and selectivity rate up to 9.4 ± 4.5 folds (p<0.01) at 125 μmol/L. HepG2 cells treated with the fraction and DMQ visualized morphologically using light and fluorescence microscopy. Annexin V--fluorescein isothiocyanate / propidium iodide staining flow cytometry, DNA ladder and cell cycle distribution assays. Mechanistic studies showed up-regulation of caspase-3, -8, and -9 proteases activities (p<0.001), indicating involvement of mitochondrial apoptotic and death receptor pathways. Further studies revealed that reactive oxygen species in DMQ and the fraction treated HepG2 cells increased (p<0.01) while mitochondrial membrane potential reduced significantly (p<0.001) compared to the control by flow cytometry assays. Western blot analysis showed that Bax, p53, Fas, FasL, p21 and cytoplasmic cytochrome C were up-regulated (p<0.01), while Bcl-2, mitochondrial cytochrome C, cyclin E and CDK 2 were down-regulated dose-dependently (p<0.01). The reverse transcriptase-polymerase chain reaction showed that mRNA expressions of p53 and Bax increased (p<0.001) while that of Bcl-2 decreased (p<0.001). Pre-treatment with caspase-8 inhibitor Z-IETD-FMK, or caspase-9 inhibitor Z-LEHD-FMK, attenuated the growth-inhibitory and apoptosis-inducing effects of DMQ and the fraction on

  15. Anticancer Effects of 1,3-Dihydroxy-2-Methylanthraquinone and the Ethyl Acetate Fraction of Hedyotis Diffusa Willd against HepG2 Carcinoma Cells Mediated via Apoptosis

    PubMed Central

    Li, Yun-lan; Zhang, Jiali; Min, Dong; Hongyan, Zhou; Lin, Niu; Li, Qing-shan

    2016-01-01

    Hedyotis Diffusa Willd, used in Traditional Chinese Medicine, is a treatment for various diseases including cancer, owing to its mild effectiveness and low toxicity. The aim of this study was to identify the main anticancer components in Hedyotis Diffusa Willd, and explore mechanisms underlying their activity. Hedyotis Diffusa Willd was extracted and fractionated using ethyl acetate to obtain the H-Ethyl acetate fraction, which showed higher anticancer activity than the other fractions obtained against HepG2 cells with sulforhodamine B assays. The active component of the H-Ethyl acetate fraction was identified to be 1,3-dihydroxy-2-methylanthraquinone (DMQ) with much high inhibitory rate up to 48.9 ± 3.3% and selectivity rate up to 9.4 ± 4.5 folds (p<0.01) at 125 μmol/L. HepG2 cells treated with the fraction and DMQ visualized morphologically using light and fluorescence microscopy. Annexin V—fluorescein isothiocyanate / propidium iodide staining flow cytometry, DNA ladder and cell cycle distribution assays. Mechanistic studies showed up-regulation of caspase-3, -8, and -9 proteases activities (p<0.001), indicating involvement of mitochondrial apoptotic and death receptor pathways. Further studies revealed that reactive oxygen species in DMQ and the fraction treated HepG2 cells increased (p<0.01) while mitochondrial membrane potential reduced significantly (p<0.001) compared to the control by flow cytometry assays. Western blot analysis showed that Bax, p53, Fas, FasL, p21 and cytoplasmic cytochrome C were up-regulated (p<0.01), while Bcl-2, mitochondrial cytochrome C, cyclin E and CDK 2 were down-regulated dose-dependently (p<0.01). The reverse transcriptase-polymerase chain reaction showed that mRNA expressions of p53 and Bax increased (p<0.001) while that of Bcl-2 decreased (p<0.001). Pre-treatment with caspase-8 inhibitor Z-IETD-FMK, or caspase-9 inhibitor Z-LEHD-FMK, attenuated the growth-inhibitory and apoptosis-inducing effects of DMQ and the fraction

  16. In vitro α-glucosidase inhibition, antioxidant, anticancer, and antimycobacterial properties of ethyl acetate extract of Aegle tamilnadensis Abdul Kader (Rutaceae) leaf.

    PubMed

    R, Pratap Chandran; S, Nishanth Kumar; S, Manju; S, Abdul Kader; B S, Dileep Kumar

    2015-01-01

    The present study was aimed to investigate in vitro α-glucosidase inhibition, antioxidant, anticancer, and antimycobacterial activities of the ethyl acetate extract of A. tamilnadensis leaves. The extract recorded strong α-glucosidase inhibition with an IC50 value of 100 μg/ml. The antioxidant potential of the extract was evaluated by nitric oxide radical inhibition, lipid peroxidation inhibition, ferric thiocyanate, and ABTS radical scavenging assay, and the extract recorded significant antioxidant activity. The ferric thiocyanate activity of extract was superior to butylated hydroxyl anisol (BHA), the standard antioxidant agent. The anticancer activity of the extract was evaluated against (1) breast cancer cell lines (MDAM B-231), (2) cervical cancer cell lines (HeLa), and (3) lung cancer cell line (A 549) using MTT assay, and significant activity was recorded against A 549 with an IC50 value of 64 μg/ml. Further studies on the morphology, acridine orange/ethidium bromide staining, and cell cycle analysis by flow cytometry confirm the extract-induced apoptosis in A 549. This extract also recorded significant anti-tuberculosis activity against Mycobacterium smegmatis. The current study suggests that the ethyl acetate extract of A. tamilnadensis is a potential source of natural α-glucosidase inhibitor and antioxidant for protection as well as prevention of life-threatening diseases like cancer. PMID:25380641

  17. Antinociceptive and anti-inflammatory effects of Caryocar coriaceum Wittm fruit pulp fixed ethyl acetate extract on zymosan-induced arthritis in rats.

    PubMed

    de Oliveira, Francisco Fábio Bezerra; de Araújo, Joana Cláudia Bezerra; Pereira, Anamaria Falcão; Brito, Gerly Anne Castro; Gondim, Delane Viana; Ribeiro, Ronaldo de Albuquerque; de Menezes, Irwin Rose Alencar; Vale, Mariana Lima

    2015-11-01

    The ethyl acetate extract from the fruit pulp of Caryocar coriaceum Wittm (Caryocaraceae), popularly known as pequi, has wide applications in popular medicine. Preclinical tests have demonstrated the therapeutic properties of the oil. We investigated the antinociceptive and anti-inflammatory effects of Pequi C. coriaceum Wittm ethyl acetate extract (PCCO) on zymosan-induced arthritis in rat knee joint. The animals were pretreated with PCCO for 7 consecutive days or with a single dose. Paw elevation time (PET), leukocyte infiltration, myeloperoxidase activity (MPO) and cytokine levels were assessed 4h after zymosan injection. Synovial tissue was harvested for immunohistochemical analysis, edema and vascular permeability. We observed a significant decrease in PET with PCCO pretreatment. PCCO showed a significant reduction of leukocyte migration and a decrease in MPO. Decreases were observed in cytokine release in the synovial fluid and TNF-α and cyclooxygenase-1 immunostaining in synovial tissue. Edema was inhibited by treatment with all doses of PCCO. The data suggest that PCCO exerts antinociceptive and anti-inflammatory effects on arthritis in rats. PMID:26341615

  18. Antibacterial efficacy of ethyl acetate fraction of Psidium guajava leaf aqueous extract on experimental Escherichia coli (O78) infection in chickens

    PubMed Central

    Geidam, Y. A.; Ambali, A. G.; Onyeyili, P. A.; Tijjani, M. B.; Gambo, H. I.; Gulani, I. A.

    2015-01-01

    Aim: This study was desingned to examine the efficacy of ethyl acetate fraction of aqueous extracted Psidium guajava leaves on chicks experimentally-infected with diarrheagenic strain of Escherichia coli O78. Methods: A total of 60 ISA brown male chicks were randomly divided into 6 Groups of ten chicks each in separate cages. Group A was not infected and not treated. Groups B, C and D were infected and treated with extracts at a dose of 25, 50 and 100 mg/kg respectively for 10 days. Group E was infected and treated with oxytetracycline while Group F was infected, but left untreated. Chicks from all groups were closely monitored for clinical signs, body weight change and fecal bacterial shedding load during the course of the experiment. Results: Diarrhea, vents pasted with feces, drop in feed intake accompanied by slow weight gain and decreased activity was observed in infected untreated groups. Groups treated with graded doses of the extract experienced a dose-dependent decreased in severity of the clinical signs shown compared to the infected untreated group. Bacterial shedding load was found to be lower in groups treated with the extract and oxytetracycline than those without intervention. Conclusion: Ethyl acetate soluble fraction of leaf extract of Psidium guajava effectively controlled diarrhea and decreased the severity of other clinical signs caused by experimental E. coli infections in chicks. PMID:27047097

  19. Comparison of Kato-Katz, ethyl-acetate sedimentation, and Midi Parasep® in the diagnosis of hookworm, Ascaris and Trichuris infections in the context of an evaluation of rural sanitation in India.

    PubMed

    Funk, Anna L; Boisson, Sophie; Clasen, Thomas; Ensink, Jeroen H J

    2013-06-01

    The Kato-Katz, conventional ethyl-acetate sedimentation, and Midi Parasep(®) methods for diagnosing infection with soil-transmitted helminths were compared. The Kato-Katz technique gave the best overall diagnostic performance with the highest results in all measures (prevalence, faecal egg count, sensitivity) followed by the conventional ethyl-acetate and then the Midi Parasep(®) technique. The Kato-Katz technique showed a significantly higher faecal egg count and sensitivity for both hookworm and Trichuris as compared to the Midi Parasep(®) technique. The conventional ethyl-acetate technique produced smaller pellets and showed lower pellet mobility as compared to the Midi Parasep(®). PMID:23467010

  20. Photolytic degradation of chlorophenols from industrial wastewaters by organic oxidants peroxy acetic acid, para nitro benzoic acid and methyl ethyl ketone peroxide: identification of reaction products.

    PubMed

    Sharma, Swati; Mukhopadhyay, Mausumi; Murthy, Zagabathuni Venkata Panchakshari

    2014-01-01

    In this investigation, chlorophenol (CP) containing industrial wastewater was remediated by ultraviolet irradiation in conjunction with organic oxidants, peroxy acetic acid (PAA); para nitro benzoic acid (PNBA); and methyl ethyl ketone peroxide (MEKP). CP mineralization was studied with regard to chemical oxygen demand (COD) and chloride ion release under identical test conditions. COD depletion to the extent of 81% by PAA, 66% by PNBA, and 67% by MEKP was noted along with an upwardly mobile trend of chloride ion release upon irradiation of samples at 254 nm. A 90-99% decrease in CP concentration (as per high pressure liquid chromatography (HPLC) analysis) was achieved with an additional 15.0 ml of organic oxidant in all cases. Gas chromatography high resolution mass spectroscopy (GC-HRMS) results also indicated the formation of such reaction products as are free from chlorine substitutions. This treatment also leads to total decolorization of the collected samples. PMID:24647192

  1. Inhibition of Epstein-Barr virus lytic cycle by an ethyl acetate subfraction separated from Polygonum cuspidatum root and its major component, emodin.

    PubMed

    Yiu, Ching-Yi; Chen, Shih-Ying; Yang, Tsai-Hsiu; Chang, Che-Jung; Yeh, Dong-Bor; Chen, Yi-Jie; Lin, Tsuey-Pin

    2014-01-01

    Polygonum cuspidatum is widely used as a medicinal herb in Asia. In this study, we examined the ethyl acetate subfraction F3 obtained from P. cuspidatum root and its major component, emodin, for their capacity to inhibit the Epstein-Barr virus (EBV) lytic cycle. The cell viability was determined by the MTT [3-(4,5-dimethyldiazol-2-yl)-2,5-diphenyltetrazolium bromide] method. The expression of EBV lytic proteins was analyzed by immunoblot, indirect immunofluorescence and flow cytometric assays. Real-time quantitative PCR was used to assess the EBV DNA replication and the transcription of lytic genes, including BRLF1 and BZLF1. Results showed that the F3 and its major component emodin inhibit the transcription of EBV immediate early genes, the expression of EBV lytic proteins, including Rta, Zta, and EA-D and reduces EBV DNA replication, showing that F3 and emodin are potentially useful as an anti-EBV drug. PMID:24448066

  2. Synergistic effect of delignification and treatment with the ionic liquid 1-ethyl-3-methylimidazolium acetate on enzymatic digestibility of poplar wood.

    PubMed

    Wu, Long; Kumagai, Akio; Lee, Seung-Hwan; Endo, Takashi

    2014-06-01

    This study examined the effects of removing key recalcitrance factors by ionic liquid (IL) treatment on the cellulase digestibility of poplar wood. Ground biomass was subjected to chlorite delignification and IL (1-ethyl-3-methylimidazolium acetate) treatment alone or in combination. The compositional and structural features of differentially treated biomass samples and their hydrolysis performance at various cellulase loadings were investigated. IL treatment caused minor compositional changes but drastically decreased cellulose crystallinity; in particular, when administered after delignification, an X-ray diffractogram similar to that of cellulose II polymorph was observed, suggesting that in the absence of lignin, the cellulose was dissolved in the IL and regenerated in water with a polymorphic transformation. The structural changes induced by the combined delignification-IL treatment facilitated the enzymatic hydrolysis of cellulose; the biomass could be fully degraded within 72 h by 4 FPU of cellulase per gram glucan, with cellobiose degradation being the rate-limiting step. PMID:24755318

  3. Determination of imidacloprid and benzimidazole residues in fruits and vegetables by liquid chromatography-mass spectrometry after ethyl acetate multiresidue extraction.

    PubMed

    Fernández-Alba, A R; Tejedor, A; Agüera, A; Contreras, M; Garrido, J

    2000-01-01

    A simple and sensitive method based on liquid chromatography-atmospheric pressure ionization-mass spectrometry is described for the determination of 4 benzimidazole pesticides (carbendazim, thiabendazole, benomyl, and thiophanate-methyl) and imidacloprid in vegetables and fruits. Food samples were typically extracted with ethyl acetate to draw the analytes into the organic phase. No cleanup step was necessary before injection into the liquid chromatographic (LC) system with electrospray mass spectrometric detection. The analytes were separated on a reversed-phase C8LC column. Limits of detection for the compounds were in the microg/L range. Results are reported for validation studies with fortified pear and tomato samples and for residues of the target compounds found in the pesticide residue monitoring program during 1998. PMID:10868600

  4. Neuroprotective effects of the Phellinus linteus ethyl acetate extract against H2O2-induced apoptotic cell death of SK-N-MC cells.

    PubMed

    Choi, Doo Jin; Cho, Sarang; Seo, Jeong Yeon; Lee, Hyang Burm; Park, Yong Il

    2016-01-01

    Numerous studies have suggested that neuronal cells are protected against oxidative stress-induced cell damage by antioxidants, such as polyphenolic compounds. Phellinus linteus (PL) has traditionally been used to treat various symptoms in East Asian countries. In the present study, we prepared an ethyl acetate extract from the fruiting bodies of PL (PLEA) using hot water extraction, ethanol precipitation, and ethyl acetate extraction. The PLEA contained polyphenols as its major chemical component, and thus, we predicted that it may exhibit antioxidant and neuroprotective effects against oxidative stress. The results showed that the pretreatment of human brain neuroblastoma SK-N-MC cells with the PLEA (0.1-5 μg/mL) significantly and dose-dependently reduced the cytotoxicity of H2O2 and the intracellular ROS levels and enhanced the expression of HO-1 (heme oxygenase-1) and antioxidant enzymes, such as CAT (catalase), GPx-1 (glutathione peroxidase-1), and SOD-1 and -2 (superoxide dismutase-1 and -2). The PLEA also directly scavenged free radicals. PLEA pretreatment also significantly attenuated DNA fragmentation and suppressed the mRNA expression and activation of mitogen-activated protein kinases extracellular signal-regulated kinase, c-Jun N-terminal kinase, and p38 kinase, which are induced by oxidative stress and lead to cell death. PLEA pretreatment inhibited the activation of the apoptosis-related proteins caspase-3 and poly (ADP-ribose) polymerase. These results demonstrate that the PLEA has neuroprotective effects against oxidative stress (H2O2)-induced neuronal cell death via its antioxidant and anti-apoptotic properties. PLEA should be investigated in an in vivo model on its potential to prevent or ameliorate neurodegenerative disease. PMID:26773779

  5. 40 CFR 180.595 - Flufenpyr-ethyl; tolerances for residues.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... residues of the herbicide, flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl ester], in or on the following...) Tolerances are established for residues of the herbicide flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl...

  6. 40 CFR 180.595 - Flufenpyr-ethyl; tolerances for residues.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... residues of the herbicide, flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl ester], in or on the following...) Tolerances are established for residues of the herbicide flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl...

  7. 40 CFR 180.595 - Flufenpyr-ethyl; tolerances for residues.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... residues of the herbicide, flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl ester], in or on the following...) Tolerances are established for residues of the herbicide flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl...

  8. 40 CFR 180.595 - Flufenpyr-ethyl; tolerances for residues.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... residues of the herbicide, flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl ester], in or on the following...) Tolerances are established for residues of the herbicide flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl...

  9. 40 CFR 180.595 - Flufenpyr-ethyl; tolerances for residues.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... residues of the herbicide, flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl ester], in or on the following...) Tolerances are established for residues of the herbicide flufenpyr-ethyl; acetic acid, -phenoxy]-ethyl...

  10. Evaluation of Antiradical and Anti-Inflammatory Activities of Ethyl Acetate and Butanolic Subfractions of Agelanthus dodoneifolius (DC.) Polhill & Wiens (Loranthaceae) Using Equine Myeloperoxidase and Both PMA-Activated Neutrophils and HL-60 Cells

    PubMed Central

    Boly, Rainatou; Franck, Thierry; Kohnen, Stephan; Lompo, Marius; Guissou, Innocent Pierre; Dubois, Jacques; Serteyn, Didier; Mouithys-Mickalad, Ange

    2015-01-01

    The ethyl acetate and n-butanolic subfractions of Agelanthus dodoneifolius were investigated for their antioxidant and antimyeloperoxidase (MPO) activities. The reactive oxygen species (ROS) generation was assessed by lucigenin-enhanced chemiluminescence (CL) and dichlorofluorescein- (DCF-) induced fluorescence techniques from phorbol myristate acetate- (PMA-) stimulated equine neutrophils and human myeloid cell line HL-60, respectively. In parallel, the effects of the tested subfractions were evaluated on the total MPO release by stimulated neutrophils and on the specific MPO activity by means of immunological assays. The results showed the potent activity of the butanolic subfraction, at least in respect of the chemiluminescence test (IC50 = 0.3 ± 0.1 µg/mL) and the ELISA and SIEFED assays (IC50 = 2.8 ± 1.2 µg/mL and 1.3 ± 1.0 µg/mL), respectively. However, the ethyl acetate subfraction was found to be the most potent in the DCF assay as at the highest concentration, DCF fluorescence intensity decreases of about 50%. Moreover, we demonstrated that the ethyl acetate subfraction was rich in catechin (16.51%) while it was not easy to identify the main compounds in the butanolic subfraction using the UPLC-MS/MS technique. Nevertheless, taken together, our results provide evidence that Agelanthus dodoneifolius subfractions may represent potential sources of natural antioxidants and of antimyeloperoxidase compounds. PMID:25821497

  11. Antioxidant phenolic profile from ethyl acetate fraction of Fructus Ligustri Lucidi with protection against hydrogen peroxide-induced oxidative damage in SH-SY5Y cells.

    PubMed

    Ju, Heng-Yin; Chen, Shiu Ching; Wu, Kuo-Jen; Kuo, Hui-Chun; Hseu, You-Cheng; Ching, Hui; Wu, Chi-Rei

    2012-03-01

    In this study, we demonstrated the antioxidant and protective properties of crude extract and fractions from Fructus Ligustri Lucidi (FLL) against hydrogen peroxide (H2O2)-induced oxidative damage in SH-SY5Y cells. The contents of their phytochemical profiles were determined by spectrophotometric methods and high performance liquid chromatography using a photodiode array detector. FLL crude extract possessed appreciable scavenging capacity against 1,1-diphenyl-2-picrylhydrazyl and H2O2. The ethyl acetate (EtOAc) fraction was the most active fraction in scavenging free radicals and H2O2. Following exposure of cells to H2O2, there was a marked decrease in cell survival and intracellular antioxidant enzymes, and then intracellular oxidative stress, the level of lipid peroxidation, and caspase-3 activity were increased. Simultaneous treatment with the EtOAc fraction blocked these H2O2-induced cellular events. Hydroxytyrosol and salidroside are major components of the EtOAc fraction. These results show that the phenolic-enriched EtOAc fraction of FLL contains tyrosol-related derivatives and exerts the protective effects against H2O2 toxicity via its free radical scavenging activity and ability to elevate the levels of antioxidant enzymes. PMID:22142696

  12. Inhibitory effects of ethyl acetate extract of Cordyceps sinensis mycelium on various cancer cells in culture and B16 melanoma in C57BL/6 mice.

    PubMed

    Wu, Jian Yong; Zhang, Qiao Xia; Leung, Po Hong

    2007-01-01

    The cultivated mycelium of a Cordyceps sinensis (Cs) fungus was sequentially extracted by petroleum ether (PE), ethyl acetate (EtOAc), ethanol (EtOH) and hot water. All solvent extracts except hot water extract showed a significant and dose-dependent inhibitory effect on the proliferation of four cancer cell lines, MCF-7 breast cancer, B16 mouse melanoma, HL-60 human premyelocytic leukemia and HepG2 human hepatocellular carcinoma, with IC(50) values below 132 microg/ml. The EtOAc extract, in particular, had the most potent effect against all four cancer cell lines, with IC(50) between 12 microg/ml (on B16) and 45 microg/ml (on MCF-7). In contrast, it had much lower cytotoxicity against normal mouse bone marrow cells. The EtOAc extract contained carbohydrates, adenosine, ergosterol and trace amount of cordycepin, of which ergosterol and related compounds were identified as a major class of active constituents contributing to the in vitro cytotoxicity. In an animal test, the EtOAc extract showed significant inhibiting effect on B16-induced melanoma in C57BL/6 mice, causing about 60% decrease of tumor size over 27 days. Our results suggest that the EtOAc extract of Cs fungal mycelium has strong anti-tumor activity and is a potential source of natural anti-tumor products. PMID:16423520

  13. Ethyl Acetate Fraction of Amomum xanthioides Exerts Antihepatofibrotic Actions via the Regulation of Fibrogenic Cytokines in a Dimethylnitrosamine-Induced Rat Model

    PubMed Central

    Lee, Sung-Bae; Kim, Hyeong-Geug; Kim, Hyo-Seon; Lee, Jin-Seok; Im, Hwi-Jin; Kim, Won-Yong

    2016-01-01

    Amomum xanthioides has been traditionally used to treat diverse digestive system disorders in the Asian countries. We investigated antihepatofibrotic effects of ethyl acetate fraction of Amomum xanthioides (EFAX). Liver fibrosis is induced by dimethylnitrosamine (DMN) injection (intraperitoneally, 10 mg/kg of DMN for 4 weeks to Sprague-Dawley rats). EFAX (25 or 50 mg/kg), silymarin (50 mg/kg), or distilled water was orally administered every day. The DMN injection drastically altered body and organ mass, serum biochemistry, and platelet count, while EFAX treatment significantly attenuated this alteration. Severe liver fibrosis is determined by trichrome staining and measurement of hydroxyproline contents. EFAX treatment significantly attenuated these symptoms as well as the increase in oxidative by-products of lipid and protein metabolism in liver tissues. DMN induced a dramatic activation of hepatic stellate cells and increases in the levels of protein and gene expression of transforming growth factor-beta (TGF-β), platelet derived growth factor-beta (PDGF-β), and connective tissue growth factor (CTGF). Immunohistochemical analyses revealed increases in the levels of protein and gene expression of α-smooth muscle actin. These alterations were significantly normalized by EFAX treatment. Our findings demonstrate the potent antihepatofibrotic properties of EFAX via modulation of fibrogenic cytokines, especially TGF-β in the liver fibrosis rat model. PMID:27594891

  14. Isolation and Bioactivity Analysis of Ethyl Acetate Extract from Acer tegmentosum Using In Vitro Assay and On-Line Screening HPLC-ABTS+ System

    PubMed Central

    Song, Na-Young; Oh, You Chang; Cho, Won-Kyung; Ma, Jin Yeul

    2014-01-01

    The Acer tegmentosum (3 kg) was extracted using hot water, and the freeze-dried extract powder was partitioned successively using dichloromethane (DCM), ethyl acetate (EA), butyl alcohol (n-BuOH), and water. From the EA extract fraction (1.24 g), five phenolic compounds were isolated by the silica gel, octadecyl silica gel, and Sephadex LH-20 column chromatography. Based on spectroscopic methods such as 1H-NMR, 13C-NMR, and LC/MS the chemical structures of the compounds were confirmed as feniculin (1), avicularin (2), (+)-catechin (3), (−)-epicatechin (4), and 6′-O-galloyl salidroside (5). Moreover, a rapid on-line screening HPLC-ABTS+ system for individual bioactivity of the EA-soluble fraction (five phenolic compounds) was developed. The results indicated that compounds 1 and 2 were first isolated from the A. tegmentosum. The anti-inflammatory activities and on-line screening HPLC-ABTS+ assay method of these compounds in LPS-stimulated murine macrophages were rapid and efficient for the investigation of bioactivity of A. tegmentosum. PMID:25386382

  15. Ethyl Acetate Fraction of Amomum xanthioides Exerts Antihepatofibrotic Actions via the Regulation of Fibrogenic Cytokines in a Dimethylnitrosamine-Induced Rat Model.

    PubMed

    Lee, Sung-Bae; Kim, Hyeong-Geug; Kim, Hyo-Seon; Lee, Jin-Seok; Im, Hwi-Jin; Kim, Won-Yong; Son, Chang-Gue

    2016-01-01

    Amomum xanthioides has been traditionally used to treat diverse digestive system disorders in the Asian countries. We investigated antihepatofibrotic effects of ethyl acetate fraction of Amomum xanthioides (EFAX). Liver fibrosis is induced by dimethylnitrosamine (DMN) injection (intraperitoneally, 10 mg/kg of DMN for 4 weeks to Sprague-Dawley rats). EFAX (25 or 50 mg/kg), silymarin (50 mg/kg), or distilled water was orally administered every day. The DMN injection drastically altered body and organ mass, serum biochemistry, and platelet count, while EFAX treatment significantly attenuated this alteration. Severe liver fibrosis is determined by trichrome staining and measurement of hydroxyproline contents. EFAX treatment significantly attenuated these symptoms as well as the increase in oxidative by-products of lipid and protein metabolism in liver tissues. DMN induced a dramatic activation of hepatic stellate cells and increases in the levels of protein and gene expression of transforming growth factor-beta (TGF-β), platelet derived growth factor-beta (PDGF-β), and connective tissue growth factor (CTGF). Immunohistochemical analyses revealed increases in the levels of protein and gene expression of α-smooth muscle actin. These alterations were significantly normalized by EFAX treatment. Our findings demonstrate the potent antihepatofibrotic properties of EFAX via modulation of fibrogenic cytokines, especially TGF-β in the liver fibrosis rat model. PMID:27594891

  16. Ethyl 2-cyano-2-(2-nitrobenzenesulfonyloxyimino)acetate (o-NosylOXY): a recyclable coupling reagent for racemization-free synthesis of peptide, amide, hydroxamate, and ester.

    PubMed

    Dev, Dharm; Palakurthy, Nani Babu; Thalluri, Kishore; Chandra, Jyoti; Mandal, Bhubaneswar

    2014-06-20

    Ubiquitousness of amide and ester functionality makes coupling reactions extremely important. Although numerous coupling reagents are available, methods of preparation of the common and efficient reagents are cumbersome. Those reagents generate a substantial amount of chemical waste and lack recyclability. Ethyl 2-cyano-2-(2-nitrobenzenesulfonyloxyimino)acetate (o-NosylOXY), the first member of a new generation of coupling reagents, produces byproducts that can be easily recovered and reused for the synthesis of the same reagent, making the method more environmentally friendly and cost-effective. The synthesis of amides, hydroxamates, peptides, and esters using this reagent is described. The synthesis of the difficult sequences, for example, the islet amyloid polypeptide (22-27) fragment (with a C-terminal Gly, H-Asn-Phe-Gly-Ala-Ile-Leu-Gly-NH2) and acyl carrier protein (65-74) fragment (H-Val-Gln-Ala-Ala-Ile-Asp-Tyr-Ile-Asn-Gly-OH), following the solid-phase peptide synthesis (SPPS) protocol and Amyloid β (39-42) peptide (Boc-Val-Val-IIe-Ala-OMe), following solution-phase strategy is demonstrated. Remarkable improvement is noticed with respect to reaction time, yield, and retention of stereochemistry. A mechanistic investigation and recyclability are also described. PMID:24849944

  17. Comparative evaluation of the metabolic effects of hydroxytyrosol and its lipophilic derivatives (hydroxytyrosyl acetate and ethyl hydroxytyrosyl ether) in hypercholesterolemic rats.

    PubMed

    Tabernero, María; Sarriá, Beatriz; Largo, Carlota; Martínez-López, Sara; Madrona, Andrés; Espartero, José Luis; Bravo, Laura; Mateos, Raquel

    2014-07-25

    Hydroxytyrosol (HT), a virgin olive oil phenolic phytochemical with proven health benefits, has been used to generate new lipophilic antioxidants to preserve fats and oils against autoxidation. The aim of this work is to comparatively evaluate the physiological effects of HT and its lipophilic derivatives, hydroxytyrosyl acetate (HT-Ac) and ethyl hydroxytyrosyl ether (HT-Et), in high-cholesterol fed animals. Male Wistar rats (n = 8) were fed a standard diet (C group), a cholesterol-rich diet (Chol group) or a cholesterol-rich diet supplemented with phenolic compounds (HT group, HT-Ac group and HT-Et group) for 8 weeks. Body and tissue weights, the lipid profile, redox status, and biochemical, hormonal, and inflammatory biomarkers were evaluated. Plasma levels of total cholesterol, LDL cholesterol, glucose, insulin and leptin, as well as malondialdehyde in serum increased in Chol compared to C (p < 0.05). Rats fed the test diets had improved glucose, insulin, leptin and MDA levels and antioxidant capacity status, with HT-Ac being the most effective compound. The studied phenolic compounds also modulated TNF-α and IL-1β plasma levels compared to Chol. HT-Ac and HT-Et improved adipose tissue distribution and adipokine production, decreasing MCP-1 and IL-1β levels. Our results confirm the metabolic effects of HT, which are maintained and even improved by hydrophobic derivatives, particularly HT-Ac. PMID:24855654

  18. Single-laboratory validation and uncertainty analysis of 82 pesticides determined in pomegranate, apple, and orange by ethyl acetate extraction and liquid chromatography/tandem mass spectrometry.

    PubMed

    Banerjee, Kaushik; Oulkar, Dasharath P; Patil, Shubhangi B; Patil, Sangram H; Dasgupta, Soma; Savant, Rahul; Adsule, Pandurang G

    2008-01-01

    Single-laboratory validation results are reported for the multiresidue determination of 82 pesticides at < or = 10 ng/g levels in pomegranate, apple, and orange. Samples were extracted with ethyl acetate, and the extracts were cleaned up by dispersive solid-phase extraction with primary secondary amine sorbent. The concentrations of the pesticides were estimated within 18 min of chromatographic run time by liquid chromatography/mass spectrometry with multiple-reaction monitoring. The method was reproducible (HorRat of < 0.5 at 10 ng/g) with measurement uncertainties of < 15% for all the compounds at 10 nglg in all 3 matrixes. The limits of quantitation ranged from 2.5 to 5.0 ng/g with recoveries of 70-120% for most pesticides. Matrix-induced signal suppressions were significantly higher in orange compared with those in pomegranate and apple. The method offers a less expensive and safer alternative to the existing multiresidue analysis methods for fruits and vegetables. PMID:19202806

  19. Protection against oxidative damage in human erythrocytes and preliminary photosafety assessment of Punica granatum seed oil nanoemulsions entrapping polyphenol-rich ethyl acetate fraction.

    PubMed

    Baccarin, Thaisa; Mitjans, Montserrat; Lemos-Senna, Elenara; Vinardell, Maria Pilar

    2015-12-25

    The main purpose of the present study is to evaluate the ability of nanoemulsion entrapping pomegranate peel polyphenol-rich ethyl acetate fraction (EAF) prepared from pomegranate seed oil and medium chain triglyceride to protect human erythrocyte membrane from oxidative damage and to assess preliminary in vitro photosafety. In order to evaluate the phototoxic effect of nanoemulsions, human red blood cells (RBCs) are used as a biological model and the rate of haemolysis and photohaemolysis (5 J cm(-2) UVA) is assessed in vitro. The level of protection against oxidative damage caused by the peroxyl radical generator AAPH in human RBCs as well as its effects on bilayer membrane characteristics such as fluidity, protein profile and RBCs morphology are determined. EAF-loaded nanoemulsions do not promote haemolysis or photohaemolysis. Anisotropy measurements show that nanoemulsions significantly retrain the increase in membrane fluidity caused by AAPH. SDS-PAGE analysis reveals that AAPH induced degradation of membrane proteins, but that nanoemulsions reduce the extension of degradation. Scanning electron microscopy examinations corroborate the interaction between AAPH, nanoemulsions and the RBC membrane bilayer. Our work demonstrates that Punica granatum nanoemulsions are photosafe and protect RBCs against oxidative damage and possible disturbance of the lipid bilayer of biomembranes. Moreover it suggests that these nanoemulsions could be promising new topical products to reduce the effects of sunlight on skin. PMID:26407526

  20. Ethyl acetate fraction of Amomum xanthioides improves bile duct ligation-induced liver fibrosis of rat model via modulation of pro-fibrogenic cytokines

    PubMed Central

    Kim, Hyeong-Geug; Han, Jong-Min; Lee, Jin-Seok; Suk Lee, Jong; Son, Chang-Gue

    2015-01-01

    We investigated anti-hepatofibrotic effects of ethyl acetate fraction of Ammomum xanthoides (EFAX) using bile duct ligation (BDL)-induced hepatic fibrosis in a rat model. Male SD rats (6 weeks old) underwent BDL followed by 15 days of orall administration of EFAX (12.5, 25 or 50 mg/kg) or ursodeoxycholic acid (25 mg/kg). BDL caused animal death, ascites formation, alterations in serum biochemistries, and severe hepatic injury with excessive collagen deposition, whereas EFAX treatment significantly attenuated these effects. BDL markedly increased the pro-fibrogenic cytokines (TGF-β, PDGF-β, and CTGF) and the extracellular matrix indicators α-SMA, TIMP-1 and collagen type 1 in hepatic proteins and gene expression levels, which were notably normalized by EFAX treatment. EFAX also markedly normalized pro-fibrogenic signaling molecules including Smad2/3, Smad7, Akt, p44/42, and p38. We further explored EFAX mechanisms of actions using LX-2 cells (human derived hepatic stellate cell line). Pre-treatment with EFAX drastically attenuated the activation of α-SMA and Smad2/3, which are downstream molecules of TGF-β. These findings suggest that EFAX may be a potent anti-hepatofibrotic agent, and its corresponding mechanisms primarily involve the modulation of pro-fibrogenic cytokines. PMID:26412144

  1. Chemical fingerprint and metabolic profile analysis of ethyl acetate fraction of Gastrodia elata by ultra performance liquid chromatography/quadrupole-time of flight mass spectrometry.

    PubMed

    Tang, Chunlan; Wang, Li; Liu, Xinxin; Cheng, Mengchun; Xiao, Hongbin

    2016-02-01

    The chemical fingerprint and metabolic profile of traditional Chinese medicine is very complicated and has been a great challenge. In the present study, chemical fingerprint of ethyl acetate fraction of Gastrodia elata (EtAcGE) and metabolic profile of rat plasma sample after intragastric administration of EtAcGE (2.5g/kg) were investigated using ultra-high performance liquid chromatography coupled with quadrupole-time of flight mass spectrometry (UPLC/Q-TOF MS). A total of 38 chemical constituents of EtAcGE were identified by comparing their retention time, accurate molecular mass and characteristic fragment ions with those of references, or tentatively characterized by comparing molecular formula, fragment ions with that of known compound or information available in literature. And 40 compounds were detected in dosed rat plasma sample, including 16 prototypes and 24 metabolites underwent metabolic process of glucuronidation, glucosylation, sulfation, methylation, hydroxylation, dehydrogenation or mixed modes. The metabolic "soft spots" was hydroxyl or carboxy group. This is the first research for chemical fingerprint and metabolic profile of EtAcGE, which lay a foundation for the further investigation of EtAcGE. PMID:26621783

  2. In Vivo Antioxidant and Anti-Skin-Aging Activities of Ethyl Acetate Extraction from Idesia polycarpa Defatted Fruit Residue in Aging Mice Induced by D-Galactose

    PubMed Central

    Jia, Ran-ran; Chen, Fang

    2014-01-01

    Two different concentrations of D-galactose (D-gal) induced organism and skin aging in Kunming mice were used to examine comprehensively the antioxidant and antiaging activities of ethyl acetate extraction (EAE) from Idesia polycarpa defatted fruit residue for the first time. The oxygen radical absorbance capacity (ORAC) of EAE was 13.09 ± 0.11 μmol Trolox equivalents (TE)/mg, which showed EAE had great in vitro free radical scavenging and antioxidant activity. Biochemical indexes and morphological analysis of all tested tissues showed that EAE could effectively improve the total antioxidant capacity (T-AOC) of the antioxidant defense system of the aging mice, enhance the activities of superoxide dismutase (SOD), catalase (CAT), and glutathione peroxidase (GSH-Px) of tissues and serum, increase glutathione (GSH) content and decrease the malondialdehyde (MDA) content, and maintain the skin collagen, elastin, and moisture content. Meanwhile, EAE could effectively attenuate the morphological damage in brain, liver, kidney, and skin induced by D-gal and its effect was not less than that of the well-known L-ascorbic acid (VC) and α-tocopherol (VE). Overall, EAE is a potent natural antiaging agent with great antioxidant activity, which can be developed as a new medicine and cosmetic for the treatment of age-related conditions. PMID:24971146

  3. Photoprotection by Punica granatum seed oil nanoemulsion entrapping polyphenol-rich ethyl acetate fraction against UVB-induced DNA damage in human keratinocyte (HaCaT) cell line.

    PubMed

    Baccarin, Thaisa; Mitjans, Montserrat; Ramos, David; Lemos-Senna, Elenara; Vinardell, Maria Pilar

    2015-12-01

    There has been an increase in the use of botanicals as skin photoprotective agents. Pomegranate (Punica granatum L.) is well known for its high concentration of polyphenolic compounds and for its antioxidant and anti-inflammatory properties. The aim of this study was to analyze the photoprotection provided by P. granatum seed oil nanoemulsion entrapping the polyphenol-rich ethyl acetate fraction against UVB-induced DNA damage in the keratinocyte HaCaT cell line. For this purpose, HaCaT cells were pretreated for 1h with nanoemulsions in a serum-free medium and then irradiated with UVB (90-200 mJ/cm(2)) rays. Fluorescence microscopy analysis provided information about the cellular internalization of the nanodroplets. We also determined the in vitro SPF of the nanoemulsions and evaluated their phototoxicity using the 3T3 Neutral Red Uptake Phototoxicity Test. The nanoemulsions were able to protect the cells' DNA against UVB-induced damage in a concentration dependent manner. Nanodroplets were internalized by the cells but a higher proportion was detected along the cell membrane. The SPF obtained (~25) depended on the concentration of the ethyl acetate fraction and pomegranate seed oil in the nanoemulsion. The photoprotective formulations were classified as non-phototoxic. In conclusion, nanoemulsions entrapping the polyphenol-rich ethyl acetate fraction show potential for use as a sunscreen product. PMID:26406978

  4. Enhancing effect of hydroxypropyl-beta-cyclodextrin on cutaneous penetration and activation of ethyl 4-biphenylyl acetate in hairless mouse skin.

    PubMed

    Arima, H; Miyaji, T; Irie, T; Hirayama, F; Uekama, K

    1998-01-01

    The effect of hydroxypropyl-beta-cyclodextrin (HP-beta-CyD) on the cutaneous penetration and activation of ethyl 4-biphenylyl acetate (EBA), a prodrug of non-steroidal anti-inflammatory drug 4-biphenylylacetic acid (BPAA), from hydrophilic ointment was investigated, using hairless mouse skin in vitro. When the hydrophilic ointment containing a complex of EBA with HP-beta-CyD was applied to the full-thickness skin, HP-beta-CyD facilitated the penetration of EBA into the skin, the conversion of EBA to BPAA in the epidermis and the transfer of BPAA to the receptor phase. Under the present condition, pre- and post-application of the ointment containing HP-beta-CyD onto the skin did not affect the cutaneous penetration of EBA and its activation. When the ointment containing the EBA:HP-beta-CyD complex was applied to the skin, the flux of BPAA through the tape-stripped skin was greater than that through the full-thickness skin, while the activation of the prodrug in the skin was slowed down by the tape-stripping. When propylene glycol was used as a vehicle, HP-beta-CyD no longer enhanced the cutaneous permeation of BPAA through the full-thickness skin. These results suggest that the enhancing effect of HP-beta-CyD on the cutaneous penetration of EBA would be ascribable largely to an increase in effective concentration of EBA in the ointment. Furthermore, the slow diffusion of EBA solubilized in HP-beta-CyD through the stratum corneum, together with the vehicle effect, could make the prodrug more susceptible to the metabolic process that is active in the epidermis, eventually leading to the facilitated activation of the prodrug. PMID:16256708

  5. Ethyl acetate extract from marine sponge Hyattella cribriformis exhibit potent anticancer activity by promoting tubulin polymerization as evidenced mitotic arrest and induction of apoptosis

    PubMed Central

    Annamalai, Pazhanimuthu; Thayman, Malini; Rajan, Sowmiya; Raman, Lakshmi Sundaram; Ramasubbu, Sankar; Perumal, Pachiappan

    2015-01-01

    Background: Marine sponges are important sources of bioactive compounds. Objective: This study investigated the anticancer properties of Hyattella cribriformis ethyl acetate (EA) fraction in various cancer and normal cell lines. Materials and Methods: anticancer assay was carried out in 15 cell lines to evaluate the anticancer potential of the EA fraction. Impact on cell cycle distribution was determined using flow cytometry. The fraction was investigated for interfering microtubules assembly in both in vitro and cellular assay. Further studies were conducted to determine the fraction induced cell death (apoptosis) using calcein/propidium iodide dual staining, activated caspase-3 and phosphorylation of Bcl-2 protein at Ser70. DNA fragmentation assay was performed to confirm the apoptosis. Results: EA fraction exhibited potent inhibition of cancer cell growth and resulted in 50% growth inhibition (GI50) of 0.27 μg/mL in A673 cell line. Sarcoma (MG-63, Saos-2) and ovarian (SK-OV-3 and OVCAR-3) cancer cell lines also showed superior anticancer activity GI50 of 1.0 μg/mL. Colon and breast cancer cell lines exhibited moderate GI compare other cancer cell lines and normal human lung fibroblast showed GI50 of 15.6 μg/mL. EA fraction showed potent G2/M phase arrest in A673 cell line and induced apoptosis at 48 h exposure. EA fraction promoted microtubule polymerization in tubulin polymerization assay and increased level of polymerized tubulin in the HeLa cells. Fraction induced the activation of caspase-3 and phosphorylation of Bcl-2 anti-apoptotic protein. Fraction induced DNA fragmentation in HeLa cells as evidence of apoptosis. Conclusion: Marine sponge H. cribriformis EA fraction exhibited potent anticancer activity through tubulin polymerization and induction of apoptosis. PMID:25829774

  6. Characteristics of starch-based films plasticised by glycerol and by the ionic liquid 1-ethyl-3-methylimidazolium acetate: a comparative study.

    PubMed

    Xie, Fengwei; Flanagan, Bernadine M; Li, Ming; Sangwan, Parveen; Truss, Rowan W; Halley, Peter J; Strounina, Ekaterina V; Whittaker, Andrew K; Gidley, Michael J; Dean, Katherine M; Shamshina, Julia L; Rogers, Robin D; McNally, Tony

    2014-10-13

    This paper reports the plasticisation effect of the ionic liquid, 1-ethyl-3-methylimidazolium acetate ([Emim][OAc]), as compared with the traditionally used plasticiser, glycerol, on the characteristics of starch-based films. For minimising the additional effect of processing, a simple compression moulding process (which involves minimal shear) was used for preparation of starch-based films. The results show that [Emim][OAc] was favourable for plasticisation, i.e., disruption of starch granules (by scanning electron microscopy), and could result in a more amorphous structure in the starch-based materials (by X-ray diffraction and dynamic mechanical analysis). (13)C CP/MAS and SPE/MAS NMR spectroscopy revealed that not only was the crystallinity reduced by [Emim][OAc], but also the amorphous starch present was plasticised to a more mobile form as indicated by the appearance of amorphous starch in the SPE/MAS spectrum. Mechanical results illustrate that, when either glycerol or [Emim][OAc] was used, a higher plasticiser content could contribute to higher flexibility. In spite of the accelerated thermal degradation of starch by [Emim][OAc] as shown by thermogravimetric analysis, the biodegradation study revealed the antimicrobial effect of [Emim][OAc] on the starch-based materials. Considering the high-amylose starch used here which is typically difficult to gelatinise in a traditional plasticiser (water and/or glycerol), [Emim][OAc] is demonstrated to be a promising plasticiser for starch to develop "green" flexible antimicrobial materials for novel applications. PMID:25037423

  7. Crystal structure of ethyl 2-{4-[(5-chloro-1-benzo-furan-2-yl)meth-yl]-3-methyl-6-oxo-1,6-di-hydro-pyridazin-1-yl}acetate.

    PubMed

    Boukharsa, Youness; El Ammari, Lahcen; Taoufik, Jamal; Saadi, Mohamed; Ansar, M'hammed

    2015-05-01

    In the title compound, C18H17ClN2O4, the dihedral angle between the benzofuran ring system [maximum deviation 0.014 (2) Å] and the oxopyradizine ring is 73.33 (8)°. The structure is characterized by disorder of the ethyl group, which is split into two parts, with a major component of 0.57 (3), and the acetate carbonyl O atom, which is statistically disordered. In the crystal, the molecules are linked by C-H⋯O inter-actions, forming a three-dimensional network. PMID:25995910

  8. Spectroscopic analysis (FT-IR, FT-Raman and NMR) and molecular docking study of ethyl 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-acetate

    NASA Astrophysics Data System (ADS)

    El-Azab, Adel S.; Jalaja, K.; Abdel-Aziz, Alaa A.-M.; Al-Obaid, Abdulrahman M.; Sheena Mary, Y.; Yohannan Panicker, C.; Van Alsenoy, C.

    2016-09-01

    The vibrational wavenumbers, molecular structure, MEP, NLO, NBO and HOMO, LUMO analysis of Ethyl 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-acetate (EPDA) were reported. The change in electron density in the antibonding orbitals and stabilization energies have been calculated by NBO analysis to give clear evidence of stabilization in the hyperconjugation of hydrogen bonded interaction. The difference in HOMO and LUMO energy support the charge transfer interaction within the molecule. NMR studies and Fukui functions are also reported. From molecular electrostatic potential plot it is evident that the negative charge covers the carbonyl groups, phenyl rings and the positive region is over the CH2 groups with the acetate group. Molecular docking studies shows that the title compound forms a stable complex with pyrrole inhibitor and gives a binding affinity value of -8.3 kcal/mol and the results suggest that the compound might exhibit inhibitory activity against pyrrole inhibitor.

  9. Detection of adulteration in acetonitrile

    NASA Astrophysics Data System (ADS)

    Chen, Guoxiang; Fujimori, Kiyoshi; Lee, Hans; Nashed-Samuel, Yasser; Phillips, Joseph; Rogers, Gary; Shen, Hong; Yee, Chanel

    2011-05-01

    To address the increasing concern that acetonitrile may be intentionally adulterated to meet the shortfall in global supplies resulting from a downturn in its manufacturing, three analytical techniques were examined in this study. Gas Chromatography with Thermal Conductivity Detection (GC-TCD), Near Infrared (NIR) spectroscopy and Fourier Transform Infrared (FT-IR) spectroscopy were assessed for their ability to detect and quantify potential adulterants including water, alternative organic solvents, and by-products associated with the production of acetonitrile. The results of the assessment of the three techniques for acetonitrile adulteration testing are discussed.

  10. Hydrogenation of ethyl 5-cyano-2-oximinovalerate

    SciTech Connect

    Klabunovskii, E.I.; Levitina, E.S.; Kaigorodova, L.N.; Godunova, L.F.; Gogoladze, D.D.; Karpeiskaya, E.I.; Novikova, S.A.

    1987-03-10

    Hydrogenation of ethyl 5-cyano-2-oximinovalerate in acetic anhydride at atmospheric pressure in the presence of strong base leads to a quantitative yield of the ethyl ester of ..cap alpha..,eta-diacetyllysine. Selective reduction of the cyano and oximino groups in ethyl 5-cyano-2-oximinovalerate has been shown in the presence of powdered Ni, Cu-Ni, and LaNi/sub 5/H/sub 6.6/ catalysts. Hydrogenation of ethyl 5-cyano-2-oximinovalerate on Raney Ni at atmospheric pressure in dioxan with addition of acetic anhydride leads to a 50% yield of diacetyllysine.

  11. Synthesis, and anticonvulsant activity of new amides derived from 3-methyl- or 3-ethyl-3-methyl-2,5-dioxo-pyrrolidin-1-yl-acetic acids.

    PubMed

    Obniska, Jolanta; Rapacz, Anna; Rybka, Sabina; Góra, Małgorzata; Kamiński, Krzysztof; Sałat, Kinga; Żmudzki, Paweł

    2016-04-15

    This paper describes the synthesis of the library of 22 new 3-methyl- and 3-ethyl-3-methyl-2,5-dioxo-pyrrolidin-1-yl-acetamides as potential anticonvulsant agents. The maximal electroshock (MES) and the subcutaneous pentylenetetrazole (scPTZ) seizure models were used for screening all the compounds. The 6Hz model of pharmacoresistant limbic seizures was applied for studying selected derivatives. Six amides were chosen for pharmacological characterization of their antinociceptive activity in the formalin model of tonic pain as well as local anesthetic activity was assessed in mice. The pharmacological data indicate on the broad spectra of activity across the preclinical seizure models. Compounds 10 (ED50=32.08mg/kg, MES test) and 9 (ED50=40.34mg/kg, scPTZ test) demonstrated the highest potency. These compounds displayed considerably better safety profiles than clinically relevant antiepileptic drugs phenytoin, ethosuximide, or valproic acid. Several molecules showed antinociceptive and local anesthetic properties. The in vitro radioligand binding studies demonstrated that the influence on the sodium and calcium channels may be one of the essential mechanisms of action. PMID:26970661

  12. Potentialities of two solventless extraction approaches--stir bar sorptive extraction and headspace solid-phase microextraction for determination of higher alcohol acetates, isoamyl esters and ethyl esters in wines.

    PubMed

    Perestrelo, R; Nogueira, J M F; Câmara, J S

    2009-12-15

    A stir bar sorptive extraction with liquid desorption followed by large volume injection coupled to gas chromatography-quadrupole mass spectrometry (SBSE-LD/LVI-GC-qMS) was evaluated for the simultaneous determination of higher alcohol acetates (HAA), isoamyl esters (IsoE) and ethyl esters (EE) of fatty acids. The method performance was assessed and compared with other solventless technique, the solid-phase microextraction (SPME) in headspace mode (HS). For both techniques, influential experimental parameters were optimised to provide sensitive and robust methods. The SBSE-LD/LVI methodology was previously optimised in terms of extraction time, influence of ethanol in the matrix, liquid desorption (LD) conditions and instrumental settings. Higher extraction efficiency was obtained using 60 min of extraction time, 10% ethanol content, n-pentane as desorption solvent, 15 min for the back-extraction period, 10 mL min(-1) for the solvent vent flow rate and 10 degrees C for the inlet temperature. For HS-SPME, the fibre coated with 50/30 microm divinylbenzene/carboxen/polydimethylsiloxane (DVB/CAR/PDMS) afforded highest extraction efficiency, providing the best sensitivity for the target volatiles, particularly when the samples were extracted at 25 degrees C for 60 min under continuous stirring in the presence of sodium chloride (10% (w/v)). Both methodologies showed good linearity over the concentration range tested, with correlation coefficients higher than 0.984 for HS-SPME and 0.982 for SBES-LD approach, for all analytes. A good reproducibility was attained and low detection limits were achieved using both SBSE-LD (0.03-28.96 microg L(-1)) and HS-SPME (0.02-20.29 microg L(-1)) methodologies. The quantification limits for SBSE-LD approach ranging from 0.11 to 96.56 microg L(-)and from 0.06 to 67.63 microg L(-1) for HS-SPME. Using the HS-SPME approach an average recovery of about 70% was obtained whilst by using SBSE-LD obtained average recovery were close to 80%. The

  13. A new way to interpret perturbation-correlation moving-window two-dimensional correlation spectroscopy: probing the dynamic interaction of ionic liquid 1-ethyl-3-methylimidazolium acetate to absorb atmospheric water.

    PubMed

    Chen, Yu; Mu, Tiancheng

    2015-01-01

    A rule to interpret perturbation-correlation moving-window two-dimensional correlation spectroscopy (PCMW2D) was developed. Compared with Morita's rule, this proposed rule retains the ability to obtain interval features (i.e., monotonicity, concavity, and convexity) and adds the function to quickly and accurately determine both tipping points (i.e., local extrema and inflection points). It could be described as follows: the local extrema and inflection point could be determined by the zero point with an opposite sign on its left and right side in ΠΦ (synchronous PCMW2D) and ΠΨ (asynchronous PCMW2D), respectively. Specifically, a negative left (right) side and a positive right (left) side of point indicates a local minimal (maximal) value. By using the rule to interpret ΠIR (PCMW2D infrared spectroscopy) of 1-ethyl-3-methyl-imidazolium acetate [EMIM][Ac]-atmospheric water (H2O) as a function of time, we found that the atmospheric water was absorbed only into the bulk of [EMIM][Ac] before 150 min by hydrogen-bonding interaction, only onto the surface of [EMIM][Ac] after 330 min by van der Waals force, and both to the bulk and surface of [EMIM][Ac] between 150 and 330 min by hydrogen-boding and van der Waals force simultaneously. The proportion of bulk water sorption and surface water sorption to [EMIM][Ac] was about 4 and 96%, respectively. PMID:25280060

  14. Crystal structure, FT-IR, FT-Raman, 1H NMR and computational study of ethyl 2-{[(Z)3-(4-chlorophenyl)-3-hydroxy-2-propene-1-thione] amino} acetate

    NASA Astrophysics Data System (ADS)

    Prasanth, S.; Varughese, Mary; Joseph, Nirmala; Mathew, Paulson; Manojkumar, T. K.; Sudarsanakumar, C.

    2015-02-01

    The molecular structure of a thioamide derivative ethyl 2-{[(Z)3-(4-chlorophenyl)-3-hydroxy-2-propene-1-thione] amino} acetate was determined by X-ray diffraction. The proton NMR (1H NMR), Fourier Transform Infra-Red (FT-IR) and Fourier Transform Raman (FT-Raman) spectra of the compound were recorded and analyzed. The conjugated enol form of the compound was crystallized in the monoclinic space group P21/c, with unit cell dimensions a = 12.514(2) Å, b = 5.403(5) Å, c = 21.233(3) Å, β = 94.597(4)°. The structure was solved by direct methods and refined to the R value of 0.0462. The thioamide moiety in the compound adopts the Z-conformation and the Csbnd N bond shows a high rotational barrier. The geometry in the gas phase was optimized by B3LYP and RHF quantum mechanical calculations using Gaussian 09 programme and the vibrational frequencies were calculated. The experimental and theoretical data are in good agreement.

  15. Icosapent Ethyl

    MedlinePlus

    ... weight loss, exercise) to reduce the amount of triglycerides (a fat-like substance) in your blood. Icosapent ... ethyl may work by decreasing the amount of triglycerides and other fats made in the liver.

  16. Crystal structure of (Z)-ethyl 2-{5-[(2-benzyl­idene-3-oxo-2,3-di­hydro­benzo[b][1,4]thia­zin-4-yl)meth­yl]-1H-1,2,3-triazol-1-yl}acetate

    PubMed Central

    Ellouz, M.; Sebbar, N. K.; Essassi, E. M.; Ouzidan, Y.; Mague, J. T.

    2015-01-01

    The title compound, C22H20N4O3S, features two fused six-membered rings linked to a 1,2,3-triazole ring which is attached to an ethyl acetate group. The heterocycle in the benzo­thia­zine residue has an envelope conformation with the S atom being the flap. The conformation of the ethyl acetate side chain, which is directed to the same side of the mol­ecule as the C6 ring of the fused-ring system, may be partially established by a pair of weak intra­molecular C—H⋯O(carbon­yl) inter­actions. The three-dimensional packing is aided by inter­molecular C—H⋯O and C—H⋯N inter­actions. PMID:26870477

  17. Crystal structure of (Z)-ethyl 2-{5-[(2-benzyl-idene-3-oxo-2,3-di-hydro-benzo[b][1,4]thia-zin-4-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.

    PubMed

    Ellouz, M; Sebbar, N K; Essassi, E M; Ouzidan, Y; Mague, J T

    2015-12-01

    The title compound, C22H20N4O3S, features two fused six-membered rings linked to a 1,2,3-triazole ring which is attached to an ethyl acetate group. The heterocycle in the benzo-thia-zine residue has an envelope conformation with the S atom being the flap. The conformation of the ethyl acetate side chain, which is directed to the same side of the mol-ecule as the C6 ring of the fused-ring system, may be partially established by a pair of weak intra-molecular C-H⋯O(carbon-yl) inter-actions. The three-dimensional packing is aided by inter-molecular C-H⋯O and C-H⋯N inter-actions. PMID:26870477

  18. An ethyl acetate fraction derived from Houttuynia cordata extract inhibits the production of inflammatory markers by suppressing NF-кB and MAPK activation in lipopolysaccharide-stimulated RAW 264.7 macrophages

    PubMed Central

    2014-01-01

    Background Houttuynia cordata Thunb. (Saururaceae) has been used in traditional medicine for treatment of inflammatory diseases. This study evaluated the anti-inflammatory effects of an ethyl acetate fraction derived from a Houttuynia cordata extract (HCE-EA) on the production of inflammatory mediators and the activation of nuclear factor-κB (NF-κB) and mitogen-activated protein kinases (MAPKs) in lipopolysaccharide (LPS)-stimulated RAW 264.7 macrophages. Methods To measure the effects of HCE-EA on pro-inflammatory cytokine and inflammatory mediator’s expression in RAW 264.7 cells, we used the following methods: cell viability assay, Griess reagent assay, enzyme-linked immunosorbent assay, real-time polymerase chain reaction and western blotting analysis. Results HCE-EA downregulated nitric oxide (NO), prostaglandin E2 (PGE2), tumor necrosis factor-α (TNF-α), and interleukin (IL-6) production in the cells, as well as inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) expression. Furthermore, HCE-EA suppressed nuclear translocation of the NF-κB p65 subunit, which correlated with an inhibitory effect on IκBα (nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha) phosphorylation. HCE-EA also attenuated the activation of MAPKs (p38 and JNK). Conclusions Our results suggest that the anti-inflammatory properties of HCE-EA may stem from the inhibition of pro-inflammatory mediators via suppression of NF-κB and MAPK signaling pathways. PMID:25012519

  19. Diminution of Hepatic Response to 7, 12-dimethylbenz(α)anthracene by Ethyl Acetate Fraction of Acacia catechu Willd. through Modulation of Xenobiotic and Anti-Oxidative Enzymes in Rats

    PubMed Central

    Kumar, Rakesh; Kaur, Rajbir; Singh, Amrit Pal; Arora, Saroj

    2014-01-01

    Background Liver is the primary metabolizing site of body and is prone to damage by exogenous as well as endogenous intoxicants. Polycyclic aromatic hydrocarbons such as 7, 12- dimethylbenz(α)anthracene (DMBA) is an exogenous hepatotoxin, which is well known for modulating phase I, II and anti-oxidative enzymes of liver. Plants contain plethora of polyphenolic compounds which can reverse the damaging effect of various xenobiotics. The present study investigated protective role of the ethyl acetate fraction of Acacia catechu Willd. (EAF) against DMBA induced alteration in hepatic metabolizing and anti-oxidative enzymes in rats. Methodology and Principal Findings The rats were subjected to hepatic damage by treating with DMBA for 7 weeks on alternative days and treatment schedule was terminated at the end of 14 weeks. The rats were euthanized at the end of protocol and livers were homogenized. The liver homogenates were used to analyse phase I (NADPH-cytochrome P450 reducatse, NADH-cytochrome b5 reductase, cytochrome P420, cytochrome b5), phase II (glutathione-S-transferase, DT diaphorase and γ-Glutamyl transpeptidase) and antioxidative enzymes (catalase, superoxide dismutase, ascorbate peroxidase, glutathione reductase, guiacol peroxidase and lactate dehydrogenase). Furthermore, other oxidative stress parameters (thiobarbituric acid reactive substances, lipid hydroperoxides and conjugated dienes and reduced glutathione) and liver marker enzymes (serum glutamic oxaloacetic transaminase, serum glutamic pyruvic transaminase and alkaline phosphatase) were also studied. The DMBA induced significant changes in activity of hepatic enzymes that was reversed by treatment with three dose levels of EAF. Conclusion It is concluded that EAF affords hepato-protection against DMBA in rats through modulation of phase I, II and anti-oxidative enzymes. PMID:24587216

  20. Delayed cyanide poisoning following acetonitrile ingestion.

    PubMed Central

    Mueller, M.; Borland, C.

    1997-01-01

    Acetonitrile (methyl cyanide) is a common industrial organic solvent but is a rare cause of poisoning. We report the first recorded UK case. Acetonitrile is slowly converted to cyanide, resulting in delayed toxicity. We describe a case of deliberate self-poisoning by a 39-year-old woman resulting in cyanide poisoning 11 hours later which was successfully treated by repeated boluses of sodium nitrite and thiosulphate. The half-life of conversion of acetonitrile was 40 hours and harmful blood cyanide levels persisted for over 24 hours after ingestion. Departments treating or advising in cases of poisoning need to be aware of the delayed toxicity of acetonitrile. Monitoring in an intensive care unit of cases of acetonitrile poisoning should continue for 24-48 hours. PMID:9196706

  1. 21 CFR 173.228 - Ethyl acetate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... incorporated by reference. 1 Copies may be obtained from: National Academy Press, 2101 Constitution Ave. NW., Washington, DC 20418 or examined at the National Archives and Records Administration (NARA). For...

  2. 21 CFR 173.228 - Ethyl acetate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... incorporated by reference. 1 Copies may be obtained from: National Academy Press, 2101 Constitution Ave. NW., Washington, DC 20418 or examined at the National Archives and Records Administration (NARA). For...

  3. 21 CFR 173.228 - Ethyl acetate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... incorporated by reference. 1 Copies may be obtained from: National Academy Press, 2101 Constitution Ave. NW., Washington, DC 20418 or examined at the National Archives and Records Administration (NARA). For...

  4. 27 CFR 21.107 - Ethyl acetate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... by weight. (5) Specific gravity at 20 °/20 °C. Not less than 0.882. (6) Distillation range. (For.... (5) Specific gravity at 20 °/20 °C. Not less than 0.899. (6) Distillation range. (For applicable...

  5. 27 CFR 21.107 - Ethyl acetate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... by weight. (5) Specific gravity at 20 °/20 °C. Not less than 0.882. (6) Distillation range. (For.... (5) Specific gravity at 20 °/20 °C. Not less than 0.899. (6) Distillation range. (For applicable...

  6. 27 CFR 21.107 - Ethyl acetate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... by weight. (5) Specific gravity at 20 °/20 °C. Not less than 0.882. (6) Distillation range. (For.... (5) Specific gravity at 20 °/20 °C. Not less than 0.899. (6) Distillation range. (For applicable...

  7. 27 CFR 21.107 - Ethyl acetate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... by weight. (5) Specific gravity at 20 °/20 °C. Not less than 0.882. (6) Distillation range. (For.... (5) Specific gravity at 20 °/20 °C. Not less than 0.899. (6) Distillation range. (For applicable...

  8. 27 CFR 21.107 - Ethyl acetate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... by weight. (5) Specific gravity at 20 °/20 °C. Not less than 0.882. (6) Distillation range. (For.... (5) Specific gravity at 20 °/20 °C. Not less than 0.899. (6) Distillation range. (For applicable...

  9. 21 CFR 173.228 - Ethyl acetate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... CFR part 51. You may obtain copies from the United States Pharmacopeial Convention, 12601 Twinbrook.../federal-register/cfr/ibr-locations.html. (b) The additive is used in accordance with current good manufacturing practice as a solvent in the decaffeination of coffee and tea....

  10. Ethyl carbamate

    Integrated Risk Information System (IRIS)

    Ethyl carbamate ; CASRN 51 - 79 - 6 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Ef

  11. Ethyl chloride

    Integrated Risk Information System (IRIS)

    Ethyl chloride ; CASRN 75 - 00 - 3 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Eff

  12. Ethyl ether

    Integrated Risk Information System (IRIS)

    Ethyl ether ; CASRN 60 - 29 - 7 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Effect

  13. Conversion of Dinitrogen into Acetonitrile under Ambient Conditions.

    PubMed

    Klopsch, Isabel; Kinauer, Markus; Finger, Markus; Würtele, Christian; Schneider, Sven

    2016-04-01

    About 20% of the ammonia production is used as the chemical feedstock for nitrogen-containing chemicals. However, while synthetic nitrogen fixation at ambient conditions has had some groundbreaking contributions in recent years, progress for the direct conversion of N2 into organic products remains limited and catalytic reactions are unknown. Herein, the rhenium-mediated synthesis of acetonitrile using dinitrogen and ethyl triflate is presented. A synthetic cycle in three reaction steps with high individual isolated yields and recovery of the rhenium pincer starting complex is shown. The cycle comprises alkylation of a nitride that arises from N2 splitting and subsequent imido ligand centered oxidation to nitrile via a 1-azavinylidene (ketimido) intermediate. Different synthetic strategies for intra- and intermolecular imido ligand oxidation and associated metal reduction were evaluated that rely on simple proton, electron, and hydrogen-atom transfer steps. PMID:26948973

  14. Induction of Apoptosis in MCF-7 Cells via Oxidative Stress Generation, Mitochondria-Dependent and Caspase-Independent Pathway by Ethyl Acetate Extract of Dillenia suffruticosa and Its Chemical Profile.

    PubMed

    Tor, Yin Sim; Yazan, Latifah Saiful; Foo, Jhi Biau; Wibowo, Agustono; Ismail, Norsharina; Cheah, Yoke Kqueen; Abdullah, Rasedee; Ismail, Maznah; Ismail, Intan Safinar; Yeap, Swee Keong

    2015-01-01

    Dillenia suffruticosa, which is locally known as Simpoh air, has been traditionally used to treat cancerous growth. The ethyl acetate extract of D. suffruticosa (EADs) has been shown to induce apoptosis in MCF-7 breast cancer cells in our previous study. The present study aimed to elucidate the molecular mechanisms involved in EADs-induced apoptosis and to identify the major compounds in the extract. EADs was found to promote oxidative stress in MCF-7 cells that led to cell death because the pre-treatment with antioxidants α-tocopherol and ascorbic acid significantly reduced the cytotoxicity of the extract (P<0.05). DCFH-DA assay revealed that treatment with EADs attenuated the generation of intracellular ROS. Apoptosis induced by EADs was not inhibited by the use of caspase-inhibitor Z-VAD-FMK, suggesting that the cell death is caspase-independent. The use of JC-1 dye reflected that EADs caused disruption in the mitochondrial membrane potential. The related molecular pathways involved in EADs-induced apoptosis were determined by GeXP multiplex system and Western blot analysis. EADs is postulated to induce cell cycle arrest that is p53- and p21-dependent based on the upregulated expression of p53 and p21 (P<0.05). The expression of Bax was upregulated with downregulation of Bcl-2 following treatment with EADs. The elevated Bax/Bcl-2 ratio and the depolarization of mitochondrial membrane potential suggest that EADs-induced apoptosis is mitochondria-dependent. The expression of oxidative stress-related AKT, p-AKT, ERK, and p-ERK was downregulated with upregulation of JNK and p-JNK. The data indicate that induction of oxidative-stress related apoptosis by EADs was mediated by inhibition of AKT and ERK, and activation of JNK. The isolation of compounds in EADs was carried out using column chromatography and elucidated using the nuclear resonance magnetic analysis producing a total of six compounds including 3-epimaslinic acid, kaempferol, kaempferide, protocatechuic

  15. Induction of Apoptosis and Reduction of Endogenous Glutathione Level by the Ethyl-Acetate Soluble Fraction of the Methanol Extract of the Roots of Potentilla fulgens in Cancer Cells

    PubMed Central

    Tripathy, Debabrata; Choudhary, Alka; Banerjee, Uttam Chand; Singh, Inder Pal; Chatterjee, Anupam

    2015-01-01

    Potentilla fulgens root traditionally used as a folk remedy in Meghalaya, India. However, systematic evaluation of its anticancer efficacy was limited. We investigated the anticancer potentials of the various extracts prepared by partitioning of the methanol extract of the root with the aim to discover major contributing factors from the most effective fractions. Methanol extract of P. fulgens roots (PRE) was prepared by maceration which was subsequently fractionated into hexane, ethyl-acetate (EA) and n-butanol soluble fractions. Various assays (clonogenic assay, Flow cytometry analysis, western blot, semiquantitative RT-PCR and the level of endogenous glutathione) were used to evaluate different parameters, such as Cell survivability, PARP-1 proteolysis, expression pattern of anti-apoptotic and γ-glutamyl-cysteine synthetase heavy subunit (GCSC) genes in both MCF-7 and U87 cancer cell lines. Since the EA-fraction showed most efficient growth inhibitory effect, it was further purified and a total of nine compounds and some monomeric and dimeric flavan-3-ols were identified and characterized. Three compounds viz., epicatechin (EC), gallic acid (GA) and ursolic acid (UA) were taken on the basis of their higher yield and 10 μg/ml of each was mixed together. The concentration used in this study for PRE, EA- and Hex-fraction was 100 μg/ml, which was higher than the IC50 value. Apoptotic cell death in the PRE, EA-fraction and EC+GA+UA treated cancer cell cultures was significantly greater than in normal cells due to suppression of anti-apoptotic protein Bcl2 following treatment. Depletion of glutathione by downregulating GCSC was also observed. Induction of apoptosis and lowering the level of glutathione are considered to be positive activity for an anticancer agent. Therefore, modulation of GSH concentration in tumor cells by PRE and its EA-fraction opened up the possibility of a new therapeutic approach because these plant products are not harmful to normal cells

  16. Induction of Apoptosis in MCF-7 Cells via Oxidative Stress Generation, Mitochondria-Dependent and Caspase-Independent Pathway by Ethyl Acetate Extract of Dillenia suffruticosa and Its Chemical Profile

    PubMed Central

    Tor, Yin Sim; Yazan, Latifah Saiful; Foo, Jhi Biau; Wibowo, Agustono; Ismail, Norsharina; Cheah, Yoke Kqueen; Abdullah, Rasedee; Ismail, Maznah; Ismail, Intan Safinar; Yeap, Swee Keong

    2015-01-01

    Dillenia suffruticosa, which is locally known as Simpoh air, has been traditionally used to treat cancerous growth. The ethyl acetate extract of D. suffruticosa (EADs) has been shown to induce apoptosis in MCF-7 breast cancer cells in our previous study. The present study aimed to elucidate the molecular mechanisms involved in EADs-induced apoptosis and to identify the major compounds in the extract. EADs was found to promote oxidative stress in MCF-7 cells that led to cell death because the pre-treatment with antioxidants α-tocopherol and ascorbic acid significantly reduced the cytotoxicity of the extract (P<0.05). DCFH-DA assay revealed that treatment with EADs attenuated the generation of intracellular ROS. Apoptosis induced by EADs was not inhibited by the use of caspase-inhibitor Z-VAD-FMK, suggesting that the cell death is caspase-independent. The use of JC-1 dye reflected that EADs caused disruption in the mitochondrial membrane potential. The related molecular pathways involved in EADs-induced apoptosis were determined by GeXP multiplex system and Western blot analysis. EADs is postulated to induce cell cycle arrest that is p53- and p21-dependent based on the upregulated expression of p53 and p21 (P<0.05). The expression of Bax was upregulated with downregulation of Bcl-2 following treatment with EADs. The elevated Bax/Bcl-2 ratio and the depolarization of mitochondrial membrane potential suggest that EADs-induced apoptosis is mitochondria-dependent. The expression of oxidative stress-related AKT, p-AKT, ERK, and p-ERK was downregulated with upregulation of JNK and p-JNK. The data indicate that induction of oxidative-stress related apoptosis by EADs was mediated by inhibition of AKT and ERK, and activation of JNK. The isolation of compounds in EADs was carried out using column chromatography and elucidated using the nuclear resonance magnetic analysis producing a total of six compounds including 3-epimaslinic acid, kaempferol, kaempferide, protocatechuic

  17. Photochemistry of nitrate ion in acetonitrile

    NASA Astrophysics Data System (ADS)

    Meera, N.; Ramamurthy, P.

    1988-12-01

    The photochemistry of cobalt(II) nitrate in acetonitrile is investigated using steady-state and flash photolysis techniques. Formation of NO 3• radical has been observed as an intermediate by direct photolysis of nitrate ion and the reaction of the nitrate radical with the solvent is observed as a transient absorption around 600 nm in air-equilibrated acetonitrile. Nitrite ion forms as a product through a collision electron transfer complex intermediate.

  18. Multiresidue pesticide analysis of ginseng powders using acetonitrile- or acetone-based extraction, solid-phase extraction cleanup, and gas chromatography-mass spectrometry/selective ion monitoring (GC-MS/SIM) or -tandem mass spectrometry (GC-MS/MS).

    PubMed

    Wong, Jon W; Zhang, Kai; Tech, Katherine; Hayward, Douglas G; Krynitsky, Alexander J; Cassias, Irene; Schenck, Frank J; Banerjee, Kaushik; Dasgupta, Soma; Brown, Don

    2010-05-26

    A multiresidue method for the analysis of 168 pesticides in dried powdered ginseng has been developed using acetonitrile or acetone mixture (acetone/cyclohexane/ethyl acetate, 2:1:1 v/v/v) extraction, solid-phase extraction (SPE) cleanup with octyl-bonded silica (C(8)), graphitized carbon black/primary-secondary amine (GCB/PSA) sorbents and toluene, and capillary gas chromatography-mass spectrometry/selective ion monitoring (GC-MS/SIM) or -tandem mass spectrometry (GC-MS/MS). The geometric mean limits of quantitation (LOQs) were 53 and 6 microg/kg for the acetonitrile extraction and 48 and 7 microg/kg for the acetone-based extraction for GC-MS/SIM and GC-MS/MS, respectively. Mean percent recoveries and standard deviations from the ginseng fortified at 25, 100, and 500 microg/kg using GC-MS/SIM were 87 +/- 10, 88 +/- 8, and 86 +/- 10% from acetonitrile extracts and 88 +/- 13, 88 +/- 12, and 88 +/- 14% from acetone mixture extracts, respectively. The mean percent recoveries from the ginseng at the 25, 100, and 500 microg/kg levels using GC-MS/MS were 83 +/- 19, 90 +/- 13, and 89 +/- 11% from acetonitrile extracts and 98 +/- 20, 91 +/- 13, and 88 +/- 14% from acetone extracts, respectively. Twelve dried ginseng products were found to contain one or more of the following pesticides and their metabolites: BHCs (benzene hexachlorides, alpha-, beta-, gamma-, and delta-), chlorothalonil, chlorpyrifos, DDT (dichlorodiphenyl trichloroethane), dacthal, diazinon, iprodione, quintozene, and procymidone ranging from <1 to >4000 microg/kg. No significant differences were found between the two extraction solvents, and GC-MS/MS was found to be more specific and sensitive than GC-MS/SIM. The procedures described were shown to be effective in screening, identifying, confirming, and quantitating pesticides in commercial ginseng products. PMID:20225896

  19. Convenient treatment of acetonitrile-containing wastes using the tandem combination of nitrile hydratase and amidase-producing microorganisms.

    PubMed

    Kohyama, Erina; Yoshimura, Akihiro; Aoshima, Daisuke; Yoshida, Toyokazu; Kawamoto, Hiroyoshi; Nagasawa, Toru

    2006-09-01

    This study aimed to construct an acetonitrile-containing waste treatment process by using nitrile-degrading microorganisms. To degrade high concentrations of acetonitrile, the microorganisms were newly acquired from soil and water samples. Although no nitrilase-producing microorganisms were found to be capable of degrading high concentrations of acetonitrile, the resting cells of Rhodococcus pyridinivorans S85-2 containing nitrile hydratase could degrade acetonitrile at concentrations as high as 6 M. In addition, an amidase-producing bacterium, Brevundimonas diminuta AM10-C-1, of which the resting cells degraded 6 M acetamide, was isolated. The combination of R. pyridinivorans S85-2 and B. diminuta AM10-C-1 was tested for the conversion of acetonitrile into acetic acid. The resting cells of B. diminuta AM10-C-1 were added after the first conversion involving R. pyridinivorans S85-2. Through this tandem process, 6 M acetonitrile was converted to acetic acid at a conversion rate of >90% in 10 h. This concise procedure will be suitable for practical use in the treatment of acetonitrile-containing wastes on-site. PMID:16402166

  20. Ethyl glucuronide determination in meconium and hair by hydrophilic interaction liquid chromatography-tandem mass spectrometry.

    PubMed

    Tarcomnicu, Isabela; van Nuijs, Alexander L N; Aerts, Katrien; De Doncker, Mireille; Covaci, Adrian; Neels, Hugo

    2010-03-20

    Ethyl glucuronide (EtG) detection in non-conventional matrices, such as hair and meconium, can provide useful information on alcohol abuse over a long time frame, for example during pregnancy or after a withdrawal treatment. This study reports on the development, validation and application of a new hydrophilic interaction liquid chromatography-tandem mass spectrometry (HILIC-MS/MS) method for the analysis of EtG in meconium and hair. For each matrix, the sample preparation and the chromatographic separation were thoroughly optimised. Additionally, experiments with reversed-phase liquid chromatography were also performed in the development stages. Analyses were carried out using a Phenomenex Luna HILIC column (150 mm x 3 mm, 5 microm) and a mobile phase composed by ammonium acetate 2mM and acetonitrile, in gradient. Different SPE cartridges (Oasis MAX, Oasis WAX, aminopropyl silica) and solvents were tested in order to obtain the highest recoveries and cleanest extracts. Optimal results were obtained for meconium with aminopropyl cartridges, while for hair an incubation of 16 h with 2 mL of water and acetonitrile (50/50, v/v) provided good results. The analytical method was validated for both matrices (meconium and hair) by assessing linearity, precision, accuracy, recovery and limit of quantification. The calibration curve concentrations ranged from 50 to 1200 pg/mg for meconium and from 20 to 1000 pg/mg for hair. Real meconium and hair samples were analyzed and results were consistent with literature. PMID:20061101

  1. Acetonitrile in the air over Europe

    SciTech Connect

    Hamm, S.; Helas, G.; Warneck, P.

    1989-06-01

    A gas chromatographic technique was developed to measure acetonitrile mixing ratios in air samples collected during three aircraft flights over Europe. Uniform mixing ratios were observed in the troposphere independent of altitude, with an average of 144+-26 pptv for the first two flights, and 194+-7 pptv for the third. /copyright/ American Geophysical Union 1989

  2. Electronic structure of the acetonitrile and acetonitrile dimer anions: a topological investigation.

    PubMed

    Timerghazin, Qadir K; Peslherbe, Gilles H

    2008-01-17

    Acetonitrile molecules are known for their intriguing ability to accommodate an excess electron in either a diffuse dipole-bound orbital, away from the valence electrons, or in its valence orbitals, depending on the environment. In this work, we report a computational investigation of the monomer and dimer acetonitrile anions, with the main goal of gaining further insight into the unusual electronic structure of these species. To this end, the topology of the electron density distribution has been examined in detail with the quantum theory of atoms in molecules (AIM). The excess electron is found to affect the topology of the electron density very differently for two dipole-bound-electron isomers of the acetonitrile dimer anion: for the head-to-tail isomer, the electron density simply decays away from the atomic nuclei, and the presence of the excess electron only manifests itself in the Laplacian of the electron density as a very diffuse region of "dipole-bound" charge concentration; in contrast, for the "solvated-electron" head-to-head isomer, a maximum of electron density without a corresponding atomic nucleus is observed, which topologically corresponds to a pseudo-atom of electron density. The acetonitrile dimer appears to be the smallest solvent cluster anion to exhibit such a non-nuclear attractor due to the presence of a solvated electron. Although the "solvated-electron" isomer is thermodynamically less stable than the head-to-tail isomer at 0 K, its floppy nature leads to a higher vibrational entropy that makes it the most stable acetonitrile dimer, anionic or neutral, above 150 K. As for the acetonitrile dimer anion with a valence-bound electron, its structure is characterized by acetonitrile molecules connected to each other at the cyanide carbon atoms; the AIM analysis reveals that, although this C-C bond is relatively weak, with an estimated bond order of 0.6, it possesses genuine covalent character and is not a "pseudo-bond" as previously speculated

  3. Isolation and identification of (3-methoxyphenyl)acetonitrile as a phytotoxin from meadowfoam (Limnanthes alba) seedmeal.

    PubMed

    Vaughn, S F; Boydston, R A; Mallory-Smith, C A

    1996-10-01

    Ethyl ether, ethanol, and water extracts of meadowfoam (Limnanthes alba Hartweg ex. Benth.) seedmeal were prepared and bioassayed against velvetleaf (Abutilon theophrasti Medicus) and wheat (Triticum aestivum L. "Cardinal"). Both the ethyl ether and ethanol fractions, but not the water extract, inhibited velvetleaf and wheat radicle elongation. Fractionation of the extracts indicated that (3-methoxyphenyl)acetonitrile (3-MPAN) was the active compound from both extracts, comprising >97% of the active ethanol fraction. 3-Methoxybenzyl isothiocyanate, which had been previously shown to be the major breakdown product of glucolimnanthin, the majorL. alba glucosinolate, was not detected in either extract. Radicle elongation of velvetleaf and wheat were inhibited by 3-MPAN with I50 (the concentration required to inhibit growth by 50%) values of approximately 4 × 10(-4) M (velvetleaf) and 7×10(-4) M (wheat). PMID:24227117

  4. The biochemical pathway for the breakdown of methyl cyanide (acetonitrile) in bacteria.

    PubMed Central

    Firmin, J L; Gray, D O

    1976-01-01

    [2-14C]Methyl cyanide (acetonitrile) is metabolized to citrate, succinate, fumarate, malate, glutamate, pyrrolidonecarboxylic acid and aspartate. Non-radioactive acetamide and acetate compete with 14C from methyl cyanide, and [2-14C]acetate and [2-14C]methyl cyanide are metabolized at similar rates, giving identical products. This evidence, combined with the inhibitory effect of fluoroacetate and arsenite on methyl cyanide metabolism, indicates that the pathway is: methyl cyanide leads to acetamide leads to acetate leads to tricarboxylic acid-cycle intermediates. The pathway was investigated in a species of Pseudomonas (group III; N.C.I.B. 10477), but comparison of labelling patterns suggests that it also exists in several higher plants. PMID:985423

  5. Comparison of an acetonitrile extraction/partitioning and "dispersive solid-phase extraction" method with classical multi-residue methods for the extraction of herbicide residues in barley samples.

    PubMed

    Díez, C; Traag, W A; Zommer, P; Marinero, P; Atienza, J

    2006-10-27

    An acetonitrile/partitioning extraction and "dispersive solid-phase extraction (SPE)" method that provides high quality results with a minimum number of steps and a low solvent and glassware consumption was published in 2003. This method, suitable for the analysis of multiple classes of pesticide residues in foods, has been given an acronymic name, QuEChERS, that reflects its major advantages (quick, easy, cheap, effective, rugged, safe). In this work, QuEChERS method, which was originally created for vegetable samples with a high amount of water, was modified to optimise the extraction of a wide range of herbicides in barley. Then, it was compared with known conventional multi-residue extraction procedures such as the Luke method, which was simplified and shortened by eliminating the Florisil clean-up (mini Luke) and the ethyl acetate extraction, which involves a subsequent clean-up by gel permeation chromatography (GPC) and which is the official extraction method used by some of European authorities. Finally, a simple acetone extraction was carried out to check the differences with the other three methods. Extracts were analysed by gas chromatography-time-of-flight mass spectrometry (GC-TOF/MS) and liquid chromatography-tandem mass spectrometry (LC-MS/MS). Mini Luke was significantly more effective for the extraction of non-polar and medium-polar compounds, but the best recoveries for polar compounds were achieved by QuEChERS and ethyl acetate methods. QuEChERS was the only method that provided an overall recovery value of 60-70% for non-, medium- and polar compounds, with some exceptions due to co-eluted matrix interferences. Clean-up by dispersive SPE was effective and did not differ so much with ethyl acetate extracts considering that QuEChERS clean-up step is much easier and less time-consuming. As a conclusion, it resulted to be the most universal extraction method by providing a well-defined phase separation without dilution and achieving acceptable

  6. Isotherm parameters and intraparticle mass transfer kinetics on molecularly imprinted polymers in acetonitrile/buffer mobile phases

    SciTech Connect

    Kim, Hyunjung; Kaczmarski, Krzysztof; Guiochon, Georges A

    2006-03-01

    The equilibrium isotherm and the intraparticle mass transfer kinetics of the enantiomers of the template were investigated on an Fmoc-L-tryptophan (Fmoc-L-Trp) imprinted polymer at different pHs and water concentrations in acetonitrile/aqueous buffer mobile phases. The equilibrium isotherm data were measured using frontal analysis at 25 {+-} 2 C. The adsorption energy distribution was found to be trimodal, with narrow modes. Consistent with this distribution, the adsorption data were modeled using a tri-Langmuir isotherm equation and the best estimates of the isotherm parameters were determined. The intraparticle mass transfer parameters were derived by comparing the profiles of experimental overloaded bands and the profiles calculated using the isotherm model and the lumped pore diffusion (POR) model of chromatography. These results showed that different adsorption and mass transfer mechanisms exist in mobile phases made of acetonitrile/aqueous buffer and of acetonitrile/acetic acid solutions.

  7. Pyrolysis and Combustion of Acetonitrile (CH{sub 3}CN)

    SciTech Connect

    Britt, P.F.

    2002-05-22

    Acetonitrile (CH{sub 3}CN) is formed from the thermal decomposition of a variety of cyclic, noncyclic, and polymeric nitrogen-containing compounds such as pyrrole and polyacrylonitrile. The pyrolysis and combustion of acetonitrile have been studied over the past 30 years to gain a more detailed understanding of the complex mechanisms involved in the release of nitrogen-containing compounds such as hydrogen cyanide (HCN) in fires and nitrogen oxides (NOx) in coal combustion. This report reviews the literature on the formation of HCN and NOx from the pyrolysis and combustion of acetonitrile and discusses the possible products found in an acetonitrile fire.

  8. Ammonium acetate

    Integrated Risk Information System (IRIS)

    Ammonium acetate ; CASRN 631 - 61 - 8 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic

  9. Vinyl acetate

    Integrated Risk Information System (IRIS)

    Vinyl acetate ; CASRN 108 - 05 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Eff

  10. Phenylmercuric acetate

    Integrated Risk Information System (IRIS)

    Phenylmercuric acetate ; CASRN 62 - 38 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinog

  11. Thallium acetate

    Integrated Risk Information System (IRIS)

    Jump to main content . Integrated Risk Information System Recent Additions | Contact Us Search : All EPA IRIS • You are here : EPA Home • Research • Environmental Assessment • IRIS • IRIS Summaries Redirect Page As of September 30 , 2009 , the assessment summary for Thallium acetate is included in t

  12. Intermolecular forces in acetonitrile + ethanol binary liquid mixtures

    NASA Astrophysics Data System (ADS)

    Elangovan, A.; Shanmugam, R.; Arivazhagan, G.; Mahendraprabu, A.; Karthick, N. K.

    2015-10-01

    FTIR spectral measurements have been carried out on the binary mixtures of acetonitrile with ethanol at 1:0 (acetonitrile:ethanol), 1:1, 1:2, 1:3 and 0:1 at room temperature. DFT and isosurface calculations have been performed. The acetonitrile + ethanol binary mixtures consist of 1:1, 1:2, 1:3 and 1:4 complexes formed through both the red and blue shifting H-bonds. Inter as well as intra molecular forces are found to exist in 1:3 and 1:4 complexes.

  13. Low temperature properties of acetonitrile confined in MCM-41.

    PubMed

    Kittaka, Shigeharu; Iwashita, Takafumi; Serizawa, Akihiro; Kranishi, Miki; Takahara, Shuichi; Kuroda, Yasushige; Mori, Toshinori; Yamaguchi, Toshio

    2005-12-15

    The effect of confinement on the phase changes and dynamics of acetonitrile in mesoporous MCM-41 was studied by use of adsorption, FT-IR, DSC, and quasi-elastic neutron scattering (QENS) measurements. Acetonitrile molecules in a monolayer interact strongly with surface hydroxyls to be registered and perturb the triple bond in the C[triple bond]N group. Adsorbed molecules above the monolayer through to the central part of the cylindrical pores are capillary condensed molecules (cc-acetonitrile), but they do not show the hysteresis loop in adsorption-desorption isotherms, i.e., second order capillary condensation. FT-IR measurements indicated that the condensed phase is very similar to the bulk liquid. The cc-acetonitrile freezes at temperatures that depend on the pore size of the MCM-41 down to 29.1 A (C14), below which it is not frozen. In addition, phase changes between alpha-type and beta-type acetonitriles were observed below the melting points. Application of the Gibbs-Thomson equation, assuming the unfrozen layer thickness to be 0.7 nm, gave the interface free energy differences between the interfaces, i.e., Deltagamma(l/alpha) = 22.4 mJ m(-2) for the liquid/pore surface (ps) and alpha-type/ps, and Deltagamma(alpha/beta) = 3.17 mJ m(-2) for alpha-type/ps and beta-type/ps, respectively. QENS experiments substantiate the differing behaviors of monolayer acetonitrile and cc-acetonitrile. The monolayer acetonitrile molecules are anchored so as not to translate. The two Lorentzian analysis of QENS spectra for cc-acetonitriles showed translational motion but markedly slowed. However, the activation energy for cc-acetonitrile in MCM-41 (C18) is 7.0 kJ mol(-1) compared to the bulk value of 12.7 kJ mol(-1). The relaxation times for tumbling rotational diffusion of cc-acetonitrile are similar to bulk values. PMID:16375278

  14. An analytical method for the determination of perfluorinated compounds in whole blood using acetonitrile and solid phase extraction methods.

    PubMed

    Yeung, Leo W Y; Taniyasu, Sachi; Kannan, Kurunthachalam; Xu, Della Z Y; Guruge, Keerthi S; Lam, Paul K S; Yamashita, Nobuyoshi

    2009-06-19

    A method for the analysis of perfluorinated compounds (perfluoroalkyl sulfonates: C4, C6, C8, C10; perfluoroalkyl sulfinates: C6, C8, C10; perfluorooctanesulfonamide, N-ethyl perfluorooctanesulfonamide, N-ethyl perfluorooctanesulfonamidoacetate, perfluorocarboxylates: C4-C14; fluorotelomer carboxylate (7:3, 8:2) in whole blood using acetonitrile and OASIS WAX solid phase extraction (SPE) cartridge was developed. Separation of target compounds in two HPLC columns (ion exchange JJ50-2D and C18 Betasil columns) was examined. Matrix recoveries of the developed methods ranged from 70% to 120%. Separation of possible inferences such as taurodeoxycholic acid (TDC) was accomplished using an ion exchange JJ50-2D column, and this separation was validated using whole blood of different animals. PMID:19439311

  15. Inhalation developmental toxicology studies: Acetonitrile in rats. Final report

    SciTech Connect

    Mast, T.J.; Weigel, R.J.; Westerberg, R.B.; Boyd, P.J.; Hayden, B.K.; Evanoff, J.J.; Rommereim, R.L.

    1994-02-01

    The potential for acetonitrile to cause developmental toxicity was assessed in Sprague-Dawley rats exposed to 0, 100, 400, or 1200 ppM acetonitrile, 6 hours/day, 7 days/week. Exposure of rats to these concentrations of acetonitrile resulted in mortality in the 1200 ppM group (2/33 pregnant females; 1/10 non-pregnant females). However, there were no treatment-related effects upon body weights or reproduction indices at any exposure level, nor was there a significant increase in the incidence of fetal malformations or variations. The only effect observed in the fetuses was a slight, but not statiscally significant, exposure-correlated increase in the incidence of supernumerary ribs. Determination of acetonitrile and cyanide concentrations in maternal rat blood showed that acetonitrile concentration in the blood increased with exposure concentration for all exposed maternal rats. Detectable amounts of cyanide in the blood were found only in the rats exposed to 1200 ppM acetonitrile ({approximately}2 {mu}g cyanide/g of blood).

  16. {2-[1-(3-Methoxycarbonylmethyl-1H-indol-2-yl)-1-methyl-ethyl]-1H-indol-3-yl}-acetic Acid Methyl Ester Inhibited Hepatocellular Carcinoma Growth in Bel-7402 Cells and Its Resistant Variants by Activation of NOX4 and SIRT3.

    PubMed

    Li, Ye; Wang, Wenjing; Xu, Xiaoxue; Sun, Shiyue; Xu, Xiaoyu; Qu, Xian-jun

    2015-01-01

    {2-[1-(3-Methoxycarbonylmethyl-1H-indol-2-yl)-1-methyl-ethyl]-1H-indol-3-yl}-acetic acid methyl ester (MIAM) is a novel indole compound, which possessed high efficacy against many cancers xenografted in mice without obvious toxicity. In this study, we aimed to investigate the effects of MIAM on human hepatocellular carcinoma (HCC) Bel-7402 cells and its resistant variants Bel-7402/5FU. MIAM inhibited the growth of HCC more potent in Bel-7402/5FU cells than its parent cells. MIAM increased cellular reactive oxygen species (ROS) levels, induced cell apoptosis, and arrested cell cycle in G0/G1 phase. MIAM might exert its action on Bel-7402/5FU cells through activation of NADPH oxidase 4 (NOX4)/p22(phox), Sirtuin3 (SIRT3)/SOD2, and SIRT3/p53/p21(Waf1/Cip) pathways. MIAM might inhibit HCC growth through the modulation of SIRT3. When SIRT3 was silenced, the inhibitory effect of MIAM on Bel-7402/5FU was lowered, showing the characteristic of resistance against MIAM, whereas Bel-7402/5FU cells with high expression of SIRT3 by SIRT3 adenovirus infection demonstrated the high sensitivity to MIAM. These results suggested that MIAM might exert its action against Bel-7402/5FU growth through upregulation of SIRT3. We suggested that MIAM might be a promising candidate compound which could develop as a potent anticancer agent targeting NOX4 and SIRT3 activation. PMID:25961022

  17. {2-[1-(3-Methoxycarbonylmethyl-1H-indol-2-yl)-1-methyl-ethyl]-1H-indol-3-yl}-acetic Acid Methyl Ester Inhibited Hepatocellular Carcinoma Growth in Bel-7402 Cells and Its Resistant Variants by Activation of NOX4 and SIRT3

    PubMed Central

    Li, Ye; Wang, Wenjing; Xu, Xiaoxue; Sun, Shiyue; Xu, Xiaoyu; Qu, Xian-jun

    2015-01-01

    {2-[1-(3-Methoxycarbonylmethyl-1H-indol-2-yl)-1-methyl-ethyl]-1H-indol-3-yl}-acetic acid methyl ester (MIAM) is a novel indole compound, which possessed high efficacy against many cancers xenografted in mice without obvious toxicity. In this study, we aimed to investigate the effects of MIAM on human hepatocellular carcinoma (HCC) Bel-7402 cells and its resistant variants Bel-7402/5FU. MIAM inhibited the growth of HCC more potent in Bel-7402/5FU cells than its parent cells. MIAM increased cellular reactive oxygen species (ROS) levels, induced cell apoptosis, and arrested cell cycle in G0/G1 phase. MIAM might exert its action on Bel-7402/5FU cells through activation of NADPH oxidase 4 (NOX4)/p22phox, Sirtuin3 (SIRT3)/SOD2, and SIRT3/p53/p21Waf1/Cip pathways. MIAM might inhibit HCC growth through the modulation of SIRT3. When SIRT3 was silenced, the inhibitory effect of MIAM on Bel-7402/5FU was lowered, showing the characteristic of resistance against MIAM, whereas Bel-7402/5FU cells with high expression of SIRT3 by SIRT3 adenovirus infection demonstrated the high sensitivity to MIAM. These results suggested that MIAM might exert its action against Bel-7402/5FU growth through upregulation of SIRT3. We suggested that MIAM might be a promising candidate compound which could develop as a potent anticancer agent targeting NOX4 and SIRT3 activation. PMID:25961022

  18. The Electrodeposition of Silver from Supercritical Carbon Dioxide/Acetonitrile

    PubMed Central

    Bartlett, Philip N; Perdjon-Abel, Magdalena; Cook, David; Reid, Gillian; Levason, William; Cheng, Fei; Zhang, Wenjian; George, Michael W; Ke, Jie; Beanland, Richard; Sloan, Jeremy

    2014-01-01

    Cyclic voltammetry of silver coordination complexes in acetonitrile and in a single-phase supercritical carbon dioxide/acetonitrile (scCO2/CH3CN) system is reported. Five silver precursors are investigated: (1,5-cyclooctadiene)(hexafluoroacetylacetonato) silver(I) [Ag(hfac)(COD)], (hexafluoroacetylacetonato)(triphenylphosphine) silver(I) [Ag(hfac)(PPh3)], (perfluorooctanoato)bis(triphenylphosphine) silver(I) [Ag(CF3(CF2)6CO2)(PPh3)2], tetrakis(triphenylphosphine) silver(I) tetrafluoroborate [Ag(PPh3)4][BF4] and tetrakis(acetonitrile) silver(I) tetrafluoroborate [Ag(CH3CN)4][BF4]. Of these, [Ag(CH3CN)4][BF4] is found to be the most suitable for electrodeposition of silver from scCO2/CH3CN.

  19. Laser synthesis and spectroscopy of acetonitrile/silver nanoparticles

    NASA Astrophysics Data System (ADS)

    Akin, S. T.; Liu, X.; Duncan, M. A.

    2015-11-01

    Silver nanoparticles with acetonitrile ligands are produced in a laser ablation flow reactor. Excimer laser ablation produces gas phase metal clusters which are thermalized with helium or argon collisions in the flowtube, and reactions with acetonitrile vapor coordinate this ligand to the particle surface. The gaseous mixture is captured in a cryogenic trap; warming produces a solution of excess ligand and coated particles. TEM images reveal particle sizes of 10-30 nm diameter. UV-vis absorption and fluorescence spectra are compared to those of standard silver nanoparticles with surfactant coatings. Deep-UV ligand absorption is strongly enhanced by nanoparticle adsorption.

  20. Chlorimuron-ethyl

    Integrated Risk Information System (IRIS)

    Chlorimuron - ethyl ; CASRN 90982 - 32 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinog

  1. Methyl ethyl ketone (MEK)

    Integrated Risk Information System (IRIS)

    Methyl ethyl ketone ( MEK ) ( CASRN 78 - 93 - 3 ) Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Nonc

  2. Ethyl alcohol production

    SciTech Connect

    Hofman, V.; Hauck, D.

    1980-11-01

    Recent price increases and temporary shortages of petroleum products have caused farmers to search for alternate sources of fuel. The production of ethyl alcohol from grain is described and the processes involved include saccharification, fermentation and distillation. The resulting stillage has potential as a livestock feed.

  3. Direct catalytic asymmetric addition of acetonitrile to N-thiophosphinoylimines.

    PubMed

    Kawato, Yuji; Kumagai, Naoya; Shibasaki, Masakatsu

    2013-12-11

    Direct catalytic addition of acetonitrile pronucleophiles to thiophosphinoylimines is described. Soft Lewis acid-hard Brønsted base cooperative catalysis is crucial to promote this elusive carbon-carbon bond-forming reaction in an enantioselective fashion. PMID:24158566

  4. Another glimpse over the salting-out assisted liquid-liquid extraction in acetonitrile/water mixtures.

    PubMed

    Valente, Inês Maria; Gonçalves, Luís Moreira; Rodrigues, José António

    2013-09-20

    The use of the salting-out effect in analytical chemistry is very diverse and can be applied to increase the volatility of the analytes in headspace extractions, to cause the precipitation of proteins in biological samples or to improve the recoveries in liquid-liquid extractions. In the latter, the salting-out process can be used to create a phase separation between water-miscible organic solvents and water. Salting-out assisted liquid-liquid extraction (SALLE) is an advantageous sample preparation technique aiming HPLC-UV analysis when developing analytical methodologies. In fact, some new extraction methodologies like QuEChERS include the SALLE concept. This manuscript discusses another point of view over SALLE with particular emphasis over acetonitrile-water mixtures for HPLC-UV analysis; the influence of the salting-out agents, their concentration and the water-acetonitrile volume ratios were the studied parameters. α-dicarbonyl compounds and beer were used as test analytes and test samples, respectively. The influence of the studied parameters was characterized by the obtained phase separation volume ratio and the fraction of α-dicarbonyls extracted to the acetonitrile phase. Results allowed the distribution of salts within three groups according to the phase separation and their extractability: (1) chlorides and acetates, (2) carbonates and sulfates and (3) magnesium sulfate; of all tested salts, sodium chloride had the highest influence on the α-dicarbonyls fraction extracted. PMID:23958692

  5. Dipolar ordering and relaxations in acetonitrile-β-hydroquinone clathrate

    NASA Astrophysics Data System (ADS)

    Rheinstädter, M. C.; Kityk, A. V.; Klöpperpieper, A.; Knorr, K.

    2002-08-01

    Single crystals of this clathrate have been studied by measurements of the frequency and temperature dependent dielectric permittivity as well as with polarization-electric field cycles and x-ray diffraction. The dipole moments of the acetonitrile guest molecules form Ising chains that are coupled by the electric dipole-dipole interaction and that are arranged in a triangular array. At 345 K a phase transition from a partially disordered antiferroelectric to a ferrielectric arrangement is observed.

  6. ALMA Spectroscopy of Titan's Atmosphere: First Detections of Vinyl Cyanide and Acetonitrile Isotopologues

    NASA Astrophysics Data System (ADS)

    Cordiner, Martin; Y Palmer, Maureen; Nixon, Conor A.; Charnley, Steven B.; Mumma, Michael J.; Irwin, Pat G. J.; Teanby, Nick A.; Kisiel, Zbigniew; Serigano, Joseph

    2015-11-01

    Studies of Titan's atmospheric chemistry provide a unique opportunity to explore the origin and evolution of complex organic matter in primitive planetary atmospheres. The Atacama Large Millimeter/submillimeter Array (ALMA) is a powerful new telescope, well suited to the study of molecular emission from Titan's stratosphere and mesosphere. Here we present early results from our ongoing study to exploit the large volume of Titan data taken using ALMA in Early Science Mode (during the period 2012-2014). Combining data from multiple ALMA Band 6 observations, we obtained high-resolution mm-wave spectra with unprecedented sensitivity, enabling the first detection of vinyl cyanide (C2H3CN) in Titan's atmosphere. Initial estimates indicate a mesospheric abundance ratio with respect to ethyl cyanide (C2H5CN) of [C2H3CN]/[C2H5CN] = 0.31. In addition, we report the first detections on Titan of the 13C and 15N-substituted isotopologues of acetonitrile (13CH3CN and CH3C15N). Radiative transfer models and possible chemical formation pathways for these molecules will be discussed.

  7. Photophysics of Diphenylbutadiynes in Water, Acetonitrile-Water, and Acetonitrile Solvent Systems: Application to Single Component White Light Emission.

    PubMed

    Pati, Avik Kumar; Jana, Rounak; Gharpure, Santosh J; Mishra, Ashok K

    2016-07-28

    Diacetylenes have been the subject of current research because of their interesting optoelectronic properties. Herein, we report that substituted diphenylbutadiynes exhibit locally excited (LE) and excimer emissions in water and multiple emissions from the LE, excimer, and intramolecular charge transfer (ICT) states in acetonitrile-water solvent systems. The LE, excimer, and ICT emissions are clearly distinguishable for a diphenylbutadiynyl derivative with push (-NMe2)-pull (-CN) substituents and those are closely overlapped for non-push-pull analogues. In neat acetonitrile, the excimer emission disappears and the LE and ICT emissions predominate. In the case of the push (-NMe2)-pull (-CN) diphenylbutadiyne, the intensity of the ICT emission increases with increasing the fluorophore concentration. This suggests that the ICT emission accompanies with intermolecular CT emission which is of exciplex type. As the LE and exciplex emissions of the push-pull diphenylbutadiyne together cover the visible region (400-700 nm) in acetonitrile, a control of the fluorophore concentration makes the relative intensities of the LE and exciplex emissions such that pure white light emission is achieved. The white light emission is not observed in those diphenylbutadiynyl analogues in which the peripheral substituents of the phenyl rings do not possess strong push-pull character. PMID:27379734

  8. Unexpected superoxide dismutase antioxidant activity of ferric chloride in acetonitrile.

    PubMed

    Foti, Mario C; Ingold, K U

    2003-11-14

    The azobis(isobutyronitrile)-initiated autoxidation of gamma-terpinene in acetonitrile at 50 degrees C yields only p-cymene and hydrogen peroxide (1:1) in a chain reaction carried by the hydroperoxyl radical, HOO. (Foti, M. C.; Ingold, K. U. J. Agric. Food Chem. 2003, 51, 2758-2765). This reaction is retarded by very low (microM) concentrations of FeCl(3) and CuCl(2). The kinetics of the FeCl(3)-inhibited autoxidation are consistent with chain-termination via the following: Fe(3+) + HOO. <==>[Fe(IV)-OOH](3+) and [Fe(IV)-OOH](3+) + HOO. --> Fe(3+) + H2O2 + O2. Thus, FeCl(3) in acetonitrile can be regarded as a very effective (and very simple) superoxide dismutase. The kinetics of the CuCl(2)-inhibited autoxidation indicate that chain transfer occurs and becomes more and more important as the reaction proceeds, i.e., the inhibition is replaced by autocatalysis. These kinetics are consistent withreduction of Cu2+ to Cu+ by HOO. and then the reoxidation of Cu+ to Cu2+ by both HOO.and the H2O2 product. The latter reaction yields HO. radicals which continue the chain. PMID:14604404

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

    SciTech Connect

    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.

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

    SciTech Connect

    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.

  11. Ultrafast vibrational energy flow in water monomers in acetonitrile

    NASA Astrophysics Data System (ADS)

    Dahms, Fabian; Costard, Rene; Nibbering, Erik T. J.; Elsaesser, Thomas

    2016-05-01

    Vibrational relaxation of the OH stretching and bending modes of water monomers in acetonitrile is studied by two-color pump-probe experiments in a frequency range from 1400 to 3800 cm-1. Measurements with resonant infrared excitation reveal vibrational lifetimes of 6.4 ± 1.0 ps of the OH stretching modes and 4.0 ± 0.5 ps of the OH bending mode. After OH stretching excitation, the OH bending mode shows an instantaneous response, a hallmark of the anharmonic coupling of stretching and bending modes, and a delayed population buildup by relaxation of the stretching via the bending mode. The relaxation steps are discussed within the framework of current theoretical pictures of water's vibrational relaxation.

  12. Capacitance of edge plane of pyrolytic graphite in acetonitrile solutions

    SciTech Connect

    Minick, S.K.; Ishida, Takanobu.

    1991-05-01

    The capacitance of the edge plane of pyrolytic graphite electrodes, in acetonitrile solutions, is measured by recording the current response to an applied triangular voltage sweep; TVS, and then fitting the current response with an appropriate function, (via a set of adjustable parameters). The pretreatment of the electrodes, the supporting electrolyte concentration used, and the frequency of the input TVS, were all found to affect the measured capacitance. In these experiments, a background current was also seen and the shape of the current output for the TVS; the charging/discharging curve, is shown to correlate with the magnitude of this background current. In addition, the size of the background current was found to have some dependence on the type of electrode pretreatment procedure used. 60 refs., 49 figs., 3 tabs.

  13. CRYSTAL AND MOLECULAR STRUCTURE OF 6,6´-DIMETHOXY-GOSSYPOL:ACETIC ACID (1:1)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    By crystallization from dilute solutions of acetic acid (2-4%) in diethyl ether, acetone, or methyl ethyl ketone, 6,6´-dimethoxy-gossypol forms an inclusion complex with acetic acid in a one-to-one molar ratio. The compound crystallizes in the triclinic P1bar1¯space group and has unit cell dimensio...

  14. Bioconversion of cyanide and acetonitrile by a municipal-sewage-derived anaerobic consortium

    SciTech Connect

    Nagle, N.J.; Rivard, C.J.; Mohagheghi, A.; Philippidis, G.

    1995-12-31

    In this study, an anaerobic consortium was examined for its ability to adapt to and degrade the representative organonitriles, cyanide and acetonitrile. Adaptation to cyanide and acetonitrile was achieved by adding increasing levels of cyanide and acetonitrile to the anaerobic consortium, followed by extensive incubation over a 90-day period. The anaerobic consortium adapted most rapidly to the lower concentrations of each substrate and resulted in reductions of 85% and 83% of the cyanide and acetonitrile, respectively, at the 50 mg/L addition level. Increasing the concentration of both cyanide and acetonitrile resulted in reduced bioconversion. Two continuously stirred tank reactors (CSTR) were set up to examine the potential for continuous bioconversion of organonitriles. The anaerobic consortium was adapted to continuous infusion of acetonitrile at an initial concentration of 10 mg/L{center_dot}day in phosphate buffer.

  15. Preparation of vinyl acetate

    DOEpatents

    Tustin, Gerald Charles; Zoeller, Joseph Robert; Depew, Leslie Sharon

    1998-01-01

    This invention pertains to the preparation of vinyl acetate by contacting a mixture of hydrogen and ketene with a heterogeneous catalyst containing a transition metal to produce acetaldehyde, which is then reacted with ketene in the presence of an acid catalyst to produce vinyl acetate.

  16. Preparation of vinyl acetate

    DOEpatents

    Tustin, G.C.; Zoeller, J.R.; Depew, L.S.

    1998-03-24

    This invention pertains to the preparation of vinyl acetate by contacting a mixture of hydrogen and ketene with a heterogeneous catalyst containing a transition metal to produce acetaldehyde, which is then reacted with ketene in the presence of an acid catalyst to produce vinyl acetate.

  17. Spectroscopic characterization of ethyl xanthate oxidation products and analysis by ion interaction chromatography

    PubMed

    Hao; Silvester; Senior

    2000-10-15

    An ion interaction chromatographic separation method, coupled with UV spectroscopic detection, has been developed for the analysis of ethyl xanthate (O-ethyl dithiocarbonate) and its oxidative decomposition products in mineral flotation systems. The effects of the ion-pairing agent (tetrabutylammonium ion), pH modifier (phosphoric acid), and organic modifier (acetonitrile) in the eluant upon the retention characteristics of the ethyl xanthate oxidation products have been determined. The optimized separation procedure has been successfully applied to the analysis of ethyl xanthate and its oxidation products in a nickel-iron sulfide mineral suspension containing a number of other anionic species, including cyanide complexes of nickel and iron, as well as sulfur-oxy anions. The ethyl xanthate oxidation products investigated in this study have been isolated as pure compounds and characterized by UV-visible, FT-IR, and NMR spectroscopies. The UV-visible and FT-IR spectroscopic properties of these species are discussed in terms of the chemical modifications of the thiocarbonate group. PMID:11055697

  18. Bromidotris(triphenyl­phosphane)silver acetonitrile monosolvate monohydrate

    PubMed Central

    Owczarzak, Anita M.; Kyros, Loukas; Hadjikakou, Sotiris K.; Kubicki, Maciej

    2011-01-01

    In the title compound, [AgBr(C18H15P)3]·C2H3N·H2O, the coordination of the Ag atom is close to ideal tetra­hedral, with the three Ag—P bond lengths almost equal [2.5441 (10), 2.5523 (9) and 2.5647 (10) ° A] and the Ag—Br bond slightly longer [2.7242 (5) Å]. The coordination tetra­hedron is slightly flattened, the Ag atom is closer to the PPP plane; the P—Ag—P angles are wider than the Br—Ag—P angles. The voids in the crystal structure are filled with ordered acetonitrile solvent mol­ecules. The remaining electron density was inter­preted as a water mol­ecule, disordered over three alternative positions. Neither of the solvent mol­ecules is connected by any directional specific inter­actions with the complex. PMID:22219758

  19. Bromidotris(triphenyl-phosphane)silver acetonitrile monosolvate monohydrate.

    PubMed

    Owczarzak, Anita M; Kyros, Loukas; Hadjikakou, Sotiris K; Kubicki, Maciej

    2011-11-01

    In the title compound, [AgBr(C(18)H(15)P)(3)]·C(2)H(3)N·H(2)O, the coordination of the Ag atom is close to ideal tetra-hedral, with the three Ag-P bond lengths almost equal [2.5441 (10), 2.5523 (9) and 2.5647 (10) ° A] and the Ag-Br bond slightly longer [2.7242 (5) Å]. The coordination tetra-hedron is slightly flattened, the Ag atom is closer to the PPP plane; the P-Ag-P angles are wider than the Br-Ag-P angles. The voids in the crystal structure are filled with ordered acetonitrile solvent mol-ecules. The remaining electron density was inter-preted as a water mol-ecule, disordered over three alternative positions. Neither of the solvent mol-ecules is connected by any directional specific inter-actions with the complex. PMID:22219758

  20. Lithium solvation in dimethyl sulfoxide-acetonitrile mixtures.

    PubMed

    Semino, Rocío; Zaldívar, Gervasio; Calvo, Ernesto J; Laria, Daniel

    2014-12-01

    We present molecular dynamics simulation results pertaining to the solvation of Li(+) in dimethyl sulfoxide-acetonitrile binary mixtures. The results are potentially relevant in the design of Li-air batteries that rely on aprotic mixtures as solvent media. To analyze effects derived from differences in ionic size and charge sign, the solvation of Li(+) is compared to the ones observed for infinitely diluted K(+) and Cl(-) species, in similar solutions. At all compositions, the cations are preferentially solvated by dimethyl sulfoxide. Contrasting, the first solvation shell of Cl(-) shows a gradual modification in its composition, which varies linearly with the global concentrations of the two solvents in the mixtures. Moreover, the energetics of the solvation, described in terms of the corresponding solute-solvent coupling, presents a clear non-ideal concentration dependence. Similar nonlinear trends were found for the stabilization of different ionic species in solution, compared to the ones exhibited by their electrically neutral counterparts. These tendencies account for the characteristics of the free energy associated to the stabilization of Li(+)Cl(-), contact-ion-pairs in these solutions. Ionic transport is also analyzed. Dynamical results show concentration trends similar to those recently obtained from direct experimental measurements. PMID:25481154

  1. Lithium solvation in dimethyl sulfoxide-acetonitrile mixtures

    SciTech Connect

    Semino, Rocío; Zaldívar, Gervasio; Calvo, Ernesto J.; Laria, Daniel

    2014-12-07

    We present molecular dynamics simulation results pertaining to the solvation of Li{sup +} in dimethyl sulfoxide-acetonitrile binary mixtures. The results are potentially relevant in the design of Li-air batteries that rely on aprotic mixtures as solvent media. To analyze effects derived from differences in ionic size and charge sign, the solvation of Li{sup +} is compared to the ones observed for infinitely diluted K{sup +} and Cl{sup −} species, in similar solutions. At all compositions, the cations are preferentially solvated by dimethyl sulfoxide. Contrasting, the first solvation shell of Cl{sup −} shows a gradual modification in its composition, which varies linearly with the global concentrations of the two solvents in the mixtures. Moreover, the energetics of the solvation, described in terms of the corresponding solute-solvent coupling, presents a clear non-ideal concentration dependence. Similar nonlinear trends were found for the stabilization of different ionic species in solution, compared to the ones exhibited by their electrically neutral counterparts. These tendencies account for the characteristics of the free energy associated to the stabilization of Li{sup +}Cl{sup −}, contact-ion-pairs in these solutions. Ionic transport is also analyzed. Dynamical results show concentration trends similar to those recently obtained from direct experimental measurements.

  2. Lithium solvation in dimethyl sulfoxide-acetonitrile mixtures

    NASA Astrophysics Data System (ADS)

    Semino, Rocío; Zaldívar, Gervasio; Calvo, Ernesto J.; Laria, Daniel

    2014-12-01

    We present molecular dynamics simulation results pertaining to the solvation of Li+ in dimethyl sulfoxide-acetonitrile binary mixtures. The results are potentially relevant in the design of Li-air batteries that rely on aprotic mixtures as solvent media. To analyze effects derived from differences in ionic size and charge sign, the solvation of Li+ is compared to the ones observed for infinitely diluted K+ and Cl- species, in similar solutions. At all compositions, the cations are preferentially solvated by dimethyl sulfoxide. Contrasting, the first solvation shell of Cl- shows a gradual modification in its composition, which varies linearly with the global concentrations of the two solvents in the mixtures. Moreover, the energetics of the solvation, described in terms of the corresponding solute-solvent coupling, presents a clear non-ideal concentration dependence. Similar nonlinear trends were found for the stabilization of different ionic species in solution, compared to the ones exhibited by their electrically neutral counterparts. These tendencies account for the characteristics of the free energy associated to the stabilization of Li+Cl-, contact-ion-pairs in these solutions. Ionic transport is also analyzed. Dynamical results show concentration trends similar to those recently obtained from direct experimental measurements.

  3. A convenient pathway to Sm(II)-mediated chemistry in acetonitrile.

    PubMed

    Maisano, Todd; Tempest, Kevin E; Sadasivam, Dhandapani V; Flowers, Robert A

    2011-03-21

    In this communication we show that the instability of samarium diiodide (SmI(2)) in acetonitrile is a consequence of ionization of the reductant in this solvent. Samarium triflate (Sm(OTf)(2)) is exceptionally stable in acetonitrile for periods over six months and can be used with appropriate additives to initiate a ketyl-olefin coupling reaction in high yield. PMID:21321772

  4. Multiple-anion nonvolatile acetal (MANA) resists

    NASA Astrophysics Data System (ADS)

    Guevremont, Jeffrey M.; Brainard, Robert L.; Reeves, Scott D.; Zhou, Xin; Nguyen, Thinh B.; Mackevich, Joseph F.; Anderson, Erik H.; Taylor, Gary N.

    2001-08-01

    New acetal or ketal blocking reagents were investigated for use in e-beam lithography and compared with the performance of ethyl vinyl either (EVE). Three blocking groups, (alpha) -Angelicalactone (AL), 6-methylene-5,6-benzo-1,4- dioxane (MBD), and MANA50 (an undisclosed blocking group used to show the potential of this chemistry) were reacted with poly(p-hydroxystyrene) (PHS) under acid catalyzed conditions to form AL-PHS, MBD-PHS, MANA50-PHS. The performance objectives pursued in the design of these new materials was to use acetal (ketal) chemistry to deliver wide process latitudes (e.g. good PED performance and minimal PEB sensitivity), use high molecular weight blocking groups to eliminate outgassing, and use the novel concept of multiple anions to deliver lithographic performance. These new materials are called Multiple Anion Nonvolatile Acetal (MANA) resists. Resists films were exposed with 50kV electrons, post exposure baked (PEB), and developed with 0.26 N TMAH. Resists prepared with the third blocking group, MANA50, gave contrast and imaging performance independent of PEB humidity and were relatively insensitive to PEB temperature and post exposure delay (PED). These resists gave the best resolution (90 nm) and profiles of all the materials tested, as well as showing no outgassing (as measured by film thickness loss).

  5. Ethyl radical ejection during photodecomposition of butanone on TiO 2(1 1 0)

    NASA Astrophysics Data System (ADS)

    Henderson, Michael A.

    2008-10-01

    The photodecomposition of acetone and butanone were examined on the (1 1 0) surface of rutile TiO 2 using temperature programmed desorption (TPD) and photon stimulated desorption (PSD). In both cases, photodecomposition was preceded by a required thermal reaction between the adsorbed ketone and coadsorbed oxygen resulting in an adsorbed 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 stability of the C-CH 3 bond in butanone over that of the C-C 2H 5 bond. Unlike in the acetone case, where the ejected methyl radicals did not participate in thermal chemistry on the TiO 2(1 1 0) surface after photoactivation of the acetone diolate, ethyl radicals photodesorbing at 100 K from butanone diolate showed preference for dehydrogenation to ethene on the surface through the influence of coadsorbed oxygen. These results reemphasize the mechanistic importance of organic radical production during photooxidation reactions on TiO 2 surface.

  6. Detection of interstellar ethyl cyanide

    NASA Technical Reports Server (NTRS)

    Johnson, D. R.; Lovas, F. J.; Gottlieb, C. A.; Gottlieb, E. W.; Litvak, M. M.; Thaddeus, P.; Guelin, M.

    1977-01-01

    Twenty-four millimeter-wave emission lines of ethyl cyanide (CH3CH2CN) have been detected in the Orion Nebula (OMC-1) and seven in Sgr B2. To derive precise radial velocities from the astronomical data, a laboratory measurement of the rotational spectrum of ethyl cyanide has been made at frequencies above 41 GHz. In OMC-1, the rotational temperature of ethyl cyanide is 90 K (in good agreement with other molecules), the local-standard-of-rest radial velocity is 4.5 + or - 1.0 km/s (versus 8.5 km/s for most molecules), and the column density is 1.8 by 10 to the 14th power per sq cm (a surprisingly high figure for a complicated molecule). The high abundance of ethyl cyanide in the Orion Nebula suggests that ethane and perhaps larger saturated hydrocarbons may be common constituents of molecular clouds and have escaped detection only because they are nonpolar or only weakly polar.

  7. S-Ethyl dipropylthiocarbamate (EPTC)

    Integrated Risk Information System (IRIS)

    S - Ethyl dipropylthiocarbamate ( EPTC ) ; CASRN 759 - 94 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessme

  8. Low-temperature growth of nitrogen-doped carbon nanofibers by acetonitrile catalytic CVD using Ni-based catalysts

    NASA Astrophysics Data System (ADS)

    Iwasaki, Tomohiro; Makino, Yuri; Fukukawa, Makoto; Nakamura, Hideya; Watano, Satoru

    2016-06-01

    To synthesize nitrogen-doped carbon nanofibers (N-CNFs) at high growth rates and low temperatures less than 673 K, nickel species (metallic nickel and nickel oxide) supported on alumina particles were used as the catalysts for an acetonitrile catalytic chemical vapor deposition (CVD) process. The nickel:alumina mass ratio in the catalysts was fixed at 0.05:1. The catalyst precursors were prepared from various nickel salts (nitrate, chloride, sulfate, acetate, and lactate) and then calcined at 1073 K for 1 h in oxidative (air), reductive (hydrogen-containing argon), or inert (pure argon) atmospheres to activate the nickel-based catalysts. The effects of precursors and calcination atmosphere on the catalyst activity at low temperatures were studied. We found that the catalysts derived from nickel nitrate had relatively small crystallite sizes of nickel species and provided N-CNFs at high growth rates of 57 ± 4 g-CNF/g-Ni/h at 673 K in the CVD process using 10 vol% hydrogen-containing argon as the carrier gas of acetonitrile vapor, which were approximately 4 times larger than that of a conventional CVD process. The obtained results reveal that nitrate ions in the catalyst precursor and hydrogen in the carrier gas can contribute effectively to the activation of catalysts in low-temperature CVD. The fiber diameter and nitrogen content of N-CNFs synthesized at high growth rates were several tens of nanometers and 3.5 ± 0.3 at.%, respectively. Our catalysts and CVD process may lead to cost reductions in the production of N-CNFs.

  9. Laboratory investigations of irradiated acetonitrile-containing ices on an interstellar dust analog

    SciTech Connect

    Abdulgalil, Ali G. M.; Marchione, Demian; Rosu-Finsen, Alexander; Collings, Mark P.; McCoustra, Martin R. S.

    2012-07-15

    Reflection-absorption infrared spectroscopy is used to study the impact of low-energy electron irradiation of acetonitrile-containing ices, under conditions close to those in the dense star-forming regions in the interstellar medium. Both the incident electron energy and the surface coverage were varied. The experiments reveal that solid acetonitrile is desorbed from its ultrathin solid films with a cross section of the order of 10{sup -17} cm{sup 2}. Evidence is presented for a significantly larger desorption cross section for acetonitrile molecules at the water-ice interface, similar to that previously observed for the benzene-water system.

  10. Narrowing the Zero-Field Tunneling Resonance by Decreasing the Crystal Symmetry of Mn12 Acetate.

    PubMed

    Espín, Jordi; Zarzuela, Ricardo; Statuto, Nahuel; Juanhuix, Jordi; Maspoch, Daniel; Imaz, Inhar; Chudnovsky, Eugene; Tejada, Javier

    2016-07-27

    We report the discovery of a less symmetric crystalline phase of Mn12 acetate, a triclinic phase, resulting from recrystallizing the original tetragonal phase reported by Lis in acetonitrile and toluene. This new phase exhibits the same structure of Mn12 acetate clusters and the same positions of tunneling resonances on the magnetic field as the conventional tetragonal phase. However, the width of the zero-field resonance is at least 1 order of magnitude smaller-can be as low as 50 Oe-indicating very small inhomogeneous broadening due to dipolar and nuclear fields. PMID:27383903

  11. Identifying (E)-4,8-dimethyl-1,3,7-nonatriene plus acetic acid as a new lure for male and female codling moth (Lepidoptera: Tortricidae)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Laboratory and field studies were conducted to measure the responses of adult codling moth, Cydia pomonella (L.), to several plant volatiles presented alone and in combination with acetic acid. Plant volatiles included ethyl (E,Z)-2,4-decadienoate (pear ester), (E)-ß-farnesene, (Z)-3-hexenyl acetate...

  12. EVALUATION OF MUTAGENIC AND CARCINOGENIC PROPERTIES OF BROMINATED AND CHLORINATED ACETONITRILES: BY-PRODUCTS OF CHLORINATION

    EPA Science Inventory

    The present study was undertaken to determine if chlorinated and brominated acetonitriles formed during the chlorination of drinking water possess mutagenic and/or carcinogenic properties. Chloroacetonitrile (CAN), dichloroacetonitrile (DCAN), trichloroacetonitrile (TCAN), bromoc...

  13. Facilitated Diffusion of Acetonitrile Revealed by Quantitative Breath Analysis Using Extractive Electrospray Ionization Mass Spectrometry

    PubMed Central

    Li, Ming; Ding, Jianhua; Gu, Haiwei; Zhang, Yan; Pan, Susu; Xu, Ning; Chen, Huanwen; Li, Hongmei

    2013-01-01

    By using silver cations (Ag+) as the ionic reagent in reactive extractive electrospray ionization mass spectrometry (EESI-MS), the concentrations of acetonitrile in exhaled breath samples from the volunteers including active smokers, passive smokers, and non-smokers were quantitatively measured in vivo, without any sample pretreatment. A limit of detection (LOD) and relative standard deviation (RSD) were 0.16 ng/L and 3.5% (n = 8), respectively, for the acetonitrile signals in MS/MS experiments. Interestingly, the concentrations of acetonitrile in human breath continuously increased for 1–4 hours after the smoker finished smoking and then slowly decreased to the background level in 7 days. The experimental data of a large number of (> 165) samples indicated that the inhaled acetonitrile is excreted most likely by facilitated diffusion, instead of simple diffusion reported previously for other volatile compounds. PMID:23386969

  14. Combined carbon and nitrogen removal from acetonitrile using algal-bacterial bioreactors.

    PubMed

    Muñoz, Raul; Jacinto, Marco; Guieysse, Benoit; Mattiasson, Bo

    2005-06-01

    When compared with Chlorella vulgaris, Scenedesmus obliquus and Selenastrum capricornutum, C. sorokiniana presented the highest tolerance to acetonitrile and the highest O(2) production capacity. It also supported the fastest acetonitrile biodegradation when mixed with a suitable acetonitrile-degrading bacterial consortium. Consequently, this microalga was tested in symbiosis with the bacterial culture for the continuous biodegradation of acetonitrile at 2 g l(-1) in a stirred tank photobioreactor and in a column photobioreactor under continuous illumination (250 microE m(-2) s(-1)). Acetonitrile removal rates of up to 2.3 g l(-1) day(-1) and 1.9 g l(-1) day(-1) were achieved in the column photobioreactor and the stirred-tank photobioreactor, respectively, when operated at the shortest retention times tested (0.4 days, 0.6 days, respectively). In addition, when the stirred-tank photobioreactor was operated with a retention time of 3.5 days, the microbial culture was capable of assimilating up to 71% and nitrifying up to 12% of the NH(4) (+) theoretically released through the biodegradation of acetonitrile, thus reducing the need for subsequent nitrogen removal. This study suggests that complete removal of N-organics can be combined with a significant removal of nitrogen by using algal-bacterial systems and that further residual biomass digestion could pay-back part of the operation costs of the treatment plant. PMID:15666149

  15. Acetate Dependence of Tumors

    PubMed Central

    Comerford, Sarah A.; Huang, Zhiguang; Du, Xinlin; Wang, Yun; Cai, Ling; Witkiewicz, Agnes; Walters, Holly; Tantawy, Mohammed N.; Fu, Allie; Manning, H. Charles; Horton, Jay D.; Hammer, Robert E.; McKnight, Steven L.; Tu, Benjamin P.

    2014-01-01

    SUMMARY Acetyl-CoA represents a central node of carbon metabolism that plays a key role in bioenergetics, cell proliferation and the regulation of gene expression. How highly glycolytic or hypoxic tumors are able to produce sufficient quantities of this metabolite to support cell growth and survival under nutrient-limiting conditions remains poorly understood. Here we show that the nucleocytosolic acetyl-CoA synthetase enzyme, ACSS2, supplies a key source of acetyl-CoA for tumors by capturing acetate as a carbon source. Despite exhibiting no gross deficits in growth or development, adult mice lacking ACSS2 exhibit a significant reduction in tumor burden in two different models of hepatocellular carcinoma. ACSS2 is expressed in a large proportion of human tumors and its activity is responsible for the majority of cellular acetate uptake into both lipids and histones. These observations may qualify ACSS2 as a targetable metabolic vulnerability of a wide spectrum of tumors. PMID:25525877

  16. 21 CFR 184.1293 - Ethyl alcohol.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... accordance with 5 U.S.C. 552(a) and 1 CFR part 51. Copies are available from the National Academy Press, Box... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ethyl alcohol. 184.1293 Section 184.1293 Food and....1293 Ethyl alcohol. (a) Ethyl alcohol (ethanol) is the chemical C2H5OH. (b) The ingredient meets...

  17. 21 CFR 184.1293 - Ethyl alcohol.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... is incorporated by reference in accordance with 5 U.S.C. 552(a) and 1 CFR part 51. Copies are... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ethyl alcohol. 184.1293 Section 184.1293 Food and... Substances Affirmed as GRAS § 184.1293 Ethyl alcohol. (a) Ethyl alcohol (ethanol) is the chemical C2H5OH....

  18. 21 CFR 184.1293 - Ethyl alcohol.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... is incorporated by reference in accordance with 5 U.S.C. 552(a) and 1 CFR part 51. Copies are... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ethyl alcohol. 184.1293 Section 184.1293 Food and... Substances Affirmed as GRAS § 184.1293 Ethyl alcohol. (a) Ethyl alcohol (ethanol) is the chemical C2H5OH....

  19. 21 CFR 184.1293 - Ethyl alcohol.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... is incorporated by reference in accordance with 5 U.S.C. 552(a) and 1 CFR part 51. Copies are... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ethyl alcohol. 184.1293 Section 184.1293 Food and... Substances Affirmed as GRAS § 184.1293 Ethyl alcohol. (a) Ethyl alcohol (ethanol) is the chemical C2H5OH....

  20. 21 CFR 184.1293 - Ethyl alcohol.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... is incorporated by reference in accordance with 5 U.S.C. 552(a) and 1 CFR part 51. Copies are... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ethyl alcohol. 184.1293 Section 184.1293 Food and... Substances Affirmed as GRAS § 184.1293 Ethyl alcohol. (a) Ethyl alcohol (ethanol) is the chemical C2H5OH....

  1. Interaction of acetonitrile with the surfaces of amorphous and crystalline ice

    SciTech Connect

    Schaff, J.E.; Roberts, J.T.

    1999-10-12

    The adsorption of acetonitrile (CH{sub 3}CN) on ultrathin films of ice under ultrahigh vacuum was investigated with temperature-programmed desorption ass spectrometry (TPD) and Fourier transform infrared reflection absorption spectroscopy (FTIRAS). Two types of film were studied, amorphous and crystalline. On the amorphous films, two sates of adsorbed acetonitrile were observed by TPD and FTIRAS. One of the states is attributed to acetonitrile that is hydrogen bonded to agree OH group at the ice surface; the other state is assigned to acetonitrile that is purely physiorbed. Evidence for the hydrogen-bonded state is two-fold. First, there is a large kinetic isotope effect for desorption from H{sub 2}O-and D{sub 2}O-ice: the desorption temperatures from ice-h{sub 2} and ice-d{sub 2} are {approximately}161 and {approximately}176 K, respectively. Second, the C{triple{underscore}bond}N stretching frequency (2,265 cm{sup {minus}1}) is 16 cm{sup {minus}1} is greater than that of physisorbed acetonitrile, and it is roughly equal to that of acetonitrile which is hydrogen bonded to an OH group at the air-liquid water interface. On the crystalline films, there is no evidence for a hydrogen-bonded state in the TPD spectra. The FTIRAS spectra do show that some hydrogen-bonded acetonitrile is present but at a maximum coverage that is roughly one-sixth of that on the amorphous surface. The difference between the amorphous and crystalline surfaces cannot be attributed to a difference n surface areas. Rather, this work provides additional evidence that the surface chemical properties of amorphous ice are different from those of crystalline ice.

  2. Aqueous Two-Phase Systems formed by Biocompatible and Biodegradable Polysaccharides and Acetonitrile

    PubMed Central

    de Brito Cardoso, Gustavo; Souza, Isabela Nascimento; Pereira, Matheus M.; Freire, Mara G.; Soares, Cleide Mara Faria; Lima, Álvaro Silva

    2015-01-01

    In this work, it is shown that novel aqueous two-phase systems can be formed by the combination of acetonitrile and polysaccharides, namely dextran. Several ternary phase diagrams were determined at 25 °C for the systems composed of water + acetonitrile + dextran. The effect of the dextran molecular weight (6,000, 40,000 and 100,000 g.mol−1) was ascertained toward their ability to undergo liquid-liquid demixing. An increase in the dextran molecular weight favors the phase separation. Furthermore, the effect of temperature (25, 35 and 45 °C) was evaluated for the system constituted by the dextran of higher molecular weight. Lower temperatures are favorable for phase separation since lower amounts of dextran and acetonitrile are required for the creation of aqueous two-phase systems. In general, acetonitrile is enriched in the top phase while dextran is majorly concentrated in the bottom phase. The applicability of this new type of two-phase systems as liquid-liquid extraction approaches was also evaluated by the study of the partition behavior of a well-known antioxidant – vanillin - and used here as a model biomolecule. The optimized conditions led to an extraction efficiency of vanillin of 95% at the acetonitrile-rich phase. PMID:25729320

  3. Acetone as a greener alternative to acetonitrile in liquid chromatographic fingerprinting.

    PubMed

    Funari, Cristiano Soleo; Carneiro, Renato Lajarim; Khandagale, Manish M; Cavalheiro, Alberto José; Hilder, Emily F

    2015-05-01

    A considerable amount of chemical waste from liquid chromatography analysis is generated worldwide. Acetonitrile is the most employed solvent in liquid chromatography analyses since it exhibits favorable physicochemical properties for separation and detection, but it is an unwelcome solvent from an environmental point of view. Acetone might be a much greener alternative to replace acetonitrile in reversed-phase liquid chromatography, since both share similar physicochemical properties, but its applicability with ultraviolet absorbance-based detectors is limited. In this work, a reference method using acetonitrile and high-performance liquid chromatography coupled to an ultraviolet photodiode array detector coupled to a corona charged aerosol detector system was developed to fingerprint a complex sample. The possibility of effectively substituting acetonitrile with acetone was investigated. Design of experiments was adopted to maximize the number of peaks acquired in both fingerprint developments. The methods with acetonitrile or acetone were successfully optimized and proved to be statistically similar when only the number of peaks or peak capacity was taken into consideration. However, the superiority of the latter was evidenced when parameters of separation and those related to greenness were heuristically combined. A green, comprehensive, time- and resource-saving approach is presented here, which is generic and applicable to other complex matrices. Furthermore, it is in line with environmental legislation and analytical trends. PMID:25708832

  4. [Effect of Acetonitrile and n-hexane on the Immunoassay of Environmental Representative Pollutants].

    PubMed

    Lou, Xue-ning; Zhou, Li-ping; Song, Dan; Yang, Rong; Long, Feng

    2016-01-15

    Based on indirect competitive immunoassay mechanism, bisphenol A (BPA) was detected by the evanescent wave all-fiber immunosensor previously developed with the detection limit of 0.2 microg x L(-1) and the linear detection range of 0.3-33.4 microg x L(-1). The effects of two commonly used organic solvents, including acetonitrile and n-hexane, on the immunosensing assay of BPA were investigated. The influence mechanism of organic solvents on immunosensing assay was discussed. The experimental results showed that the effect of n-hexane on immunosensing assay was negligible even at a high concentration of up to 10%, whereas the effect of acetonitrile on the immunosensing assay was relatively great. BPA could be detected in solutions containing a low concentration of acetonitrile. However, the specific binding reaction between antibody and antigen in homogeneous solution was completely inhibited by high concentrations of acetonitrile, and the quantitative analysis of BPA was not achieved. This might result from the changes of antibody conformation or binding capability between antibody and antigen because acetonitrile replaced a part of the water molecules on the antibody surface. PMID:27078982

  5. Characterization of acetonitrile-tolerant marine bacterium Exiguobacterium sp. SBH81 and its tolerance mechanism.

    PubMed

    Kongpol, Ajiraporn; Kato, Junichi; Tajima, Takahisa; Vangnai, Alisa S

    2012-01-01

    A Gram-positive marine bacterium, Exiguobacterium sp. SBH81, was isolated as a hydrophilic organic-solvent tolerant bacterium, and exhibited high tolerance to various types of toxic hydrophilic organic solvents, including acetonitrile, at relatively high concentrations (up to 6% [v/v]) under the growing conditions. Investigation of its tolerance mechanisms illustrated that it does not rely on solvent inactivation processes or modification of cell surface characteristics, but rather, increase of the cell size lowers solvent partitioning into cells and the extrusion of solvents through the efflux system. A test using efflux pump inhibitors suggested that secondary transporters, i.e. resistance nodulation cell division (RND) and the multidrug and toxic compound extrusion (MATE) family, are involved in acetonitrile tolerance in this strain. In addition, its acetonitrile tolerance ability could be stably and significantly enhanced by repetitive growth in the presence of toxic acetonitrile. The marked acetonitrile tolerance of Exiguobacterium sp. SBH81 indicates its potential use as a host for biotechnological fermentation processes as well as bioremediation. PMID:21971080

  6. 27 CFR 21.108 - Ethyl ether.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2013-04-01 2013-04-01 false Ethyl ether. 21.108 Section 21.108 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY ALCOHOL FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.108 Ethyl ether. (a) Odor. Characteristic odor....

  7. 21 CFR 573.420 - Ethyl cellulose.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ..., FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive 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...

  8. 21 CFR 573.420 - Ethyl cellulose.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ..., FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive 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...

  9. 21 CFR 573.420 - Ethyl cellulose.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ..., FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive 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...

  10. 27 CFR 21.108 - Ethyl ether.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 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...

  11. 21 CFR 172.868 - Ethyl cellulose.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ethyl cellulose. 172.868 Section 172.868 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Multipurpose Additives § 172.868 Ethyl...

  12. 21 CFR 172.868 - Ethyl cellulose.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ethyl cellulose. 172.868 Section 172.868 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Multipurpose Additives § 172.868 Ethyl...

  13. 27 CFR 21.108 - Ethyl ether.

    Code of Federal Regulations, 2010 CFR

    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 OF THE TREASURY LIQUORS FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.108 Ethyl ether. (a) Odor. Characteristic odor....

  14. 27 CFR 21.108 - Ethyl ether.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2012-04-01 2012-04-01 false Ethyl ether. 21.108 Section 21.108 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY LIQUORS FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.108 Ethyl ether. (a) Odor. Characteristic odor....

  15. 27 CFR 21.108 - Ethyl ether.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2014-04-01 2014-04-01 false Ethyl ether. 21.108 Section 21.108 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY ALCOHOL FORMULAS FOR DENATURED ALCOHOL AND RUM Specifications for Denaturants § 21.108 Ethyl ether. (a) Odor. Characteristic odor....

  16. Formation and inhibition of ethyl glucuronide and ethyl sulfate.

    PubMed

    Stachel, Nicole; Skopp, Gisela

    2016-08-01

    Ethyl glucuronide (EtG) und ethyl sulfate (EtS) are widely accepted biomarkers in forensic and clinical settings. Even though, levels of EtG and EtS in blood and urine increase with increasing doses of alcohol, a high inter-individual variability in their production has been noticed. Therefore, we investigated the influence of dietary plant phenols on the formation of EtG and EtS and tentatively estimated the magnitude of in vivo inhibitory interactions from our in vitro results. To address these issues, formation of EtS and EtG was investigated using recombinant glucuronosyl- and sulfotransferases as well as human liver microsomes and liver cytosol. After respective kinetics had been established, inhibition experiments using quercetin, kaempferol and resveratrol were performed. These polyphenols are subject to extensive glucuronidation and/or sulfonation. EtG and EtS were determined by LC-MS/MS following solid phase extraction for EtG due to severe matrix effects and by direct injection for EtS. All enzymes investigated were involved in the conjugation of ethanol. Maximal EtG and EtS formation rates were observed with HLM and SULT1A1, respectively. All kinetics could best be described by Michaelis-Menten kinetics. Resveratrol was a competitive inhibitor of UGT1A1, UGT1A9 and HLM; quercetin and kaempferol were inhibitors of all transferases under investigation except UGT2B15. Findings for quercetin with regard to UGT2B7 and SULT2A1 and for kaempferol with regard to SULT1E1 and SULT2A1 suggested a mechanism based inhibition. Competitive inhibition of the glucuronidation and sulfonation of ethanol was estimated as weak to negligible and as moderate to weak, respectively. Beside the known polymorphisms of the transferases involved in EtG and EtS formation, prediction of the inhibitory potential indicates that polyphenols may contribute to the variable formation rate of EtG and EtS. PMID:26829336

  17. Diagnosis and misdiagnosis of poisoning with the cyanide precursor acetonitrile: nail polish remover or nail glue remover?

    PubMed

    Rainey, P M; Roberts, W L

    1993-03-01

    Accurate diagnosis of acetonitrile ingestion is critical to management. Often this involves differentiating nail polish remover (acetone) from nail glue remover (acetonitrile). Initial symptoms of acetonitrile ingestion are indistinguishable from those of acetone and common alcohols. However, acetonitrile is metabolized to cyanide, producing severe delayed toxicity. Acetonitrile produced increased serum osmolality and osmolal gap, but these findings are non-specific and normal values cannot rule out potentially fatal exposure. Acetone, but not acetonitrile, was detectable in urine or serum with Acetest tablets; both were unreactive with a ketone dipstick. Acetone and acetonitrile could be detected with routine gas chromatography methods for alcohols. Both substances had identical retention times on the widely used stationary phase, 5% Carbowax 20M on graphitized carbon, and with GasChrom 254. Three other systems afforded unique retention times, but acetonitrile was easily mistaken for ethanol in two. Physicians and laboratories must take care to avoid misdiagnosis of acetonitrile ingestion as exposure to acetone, ethanol or another alcohol. PMID:8476448

  18. Search for Deuterated methyl acetate in the ISM

    NASA Astrophysics Data System (ADS)

    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.

  19. A Binary Host Plant Volatile Lure Combined With Acetic Acid to Monitor Codling Moth (Lepidoptera: Tortricidae).

    PubMed

    Knight, A L; Basoalto, E; Katalin, J; El-Sayed, A M

    2015-10-01

    Field studies were conducted in the United States, Hungary, and New Zealand to evaluate the effectiveness of septa lures loaded with ethyl (E,Z)-2,4-decadienoate (pear ester) and (E)-4,8-dimethyl-1,3,7-nonatriene (nonatriene) alone and in combination with an acetic acid co-lure for both sexes of codling moth, Cydia pomonella (L.). Additional studies were conducted to evaluate these host plant volatiles and acetic acid in combination with the sex pheromone, (E,E)-8,10-dodecadien-1-ol (codlemone). Traps baited with pear ester/nonatriene + acetic acid placed within orchards treated either with codlemone dispensers or left untreated caught significantly more males, females, and total moths than similar traps baited with pear ester + acetic acid in some assays. Similarly, traps baited with codlemone/pear ester/nonatriene + acetic acid caught significantly greater numbers of moths than traps with codlemone/pear ester + acetic acid lures in some assays in orchards treated with combinational dispensers (dispensers loaded with codlemone/pear ester). These data suggest that monitoring of codling moth can be marginally improved in orchards under variable management plans using a binary host plant volatile lure in combination with codlemone and acetic acid. These results are likely to be most significant in orchards treated with combinational dispensers. Significant increases in the catch of female codling moths in traps with the binary host plant volatile blend plus acetic acid should be useful in developing more effective mass trapping strategies. PMID:26314018

  20. Improved Monitoring of Female Codling Moth (Lepidoptera: Tortricidae) with Pear Ester Plus Acetic Acid in Sex Pheromone-treated Orchards

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Catch of codling moth, Cydia pomonella (L.), in clear delta traps baited with ethyl (E,Z)-2,4-decadienoate (pear ester, PE) and acetic acid (AA) in separate lures (PE+AA) was compared with catch in orange delta traps baited with a single lure containing PE and the sex pheromone, (E,E)-8,10-dodecadie...

  1. [Nomegestrol acetate: clinical pharmacology].

    PubMed

    Lello, S

    2009-10-01

    Progestogens are used in clinical practice in some conditions. Their effects depend on their chemical structure, pharmacokinetics, pharmacodynamics, with important differences among various progestogens. Generally, progestins are classified according to their parent molecule, of which often they keep some features. Derivatives of 19-nor-progesterone are characterized by high selectivity of action on progestin receptor. In particular, nomegestrol acetate (NomAc) shows an important progestational potency, neutral gluco-lipid profile, and antigonadotropic activity. It is used for treating menstrual cycle disorders and for hormone replacement therapy in menopause in association with an estrogen. In future, thanks to its antigonadotropic activity, NomAc will be used in estroprogestin combinations in fertile women, thus taking advantage of its tolerability profile and obtaining numerous non-contraceptive benefits as well. PMID:19749678

  2. DEVELOPMENTAL TOXICITY OF HALOGENATED ACETONITRILES: DRINKING WATER BY-PRODUCTS OF CHLORINE DISINFECTION

    EPA Science Inventory

    The developmental toxicity of acetonitrile and five halogenated derivatives was examined with an in vivo teratology screen adapted for use in the Long Evans rat. The screen was extended to an evaluation of growth till postnatal days 41-42, and weight of several organs at sacrific...

  3. Stacking and separation of coproporphyrin isomers by acetonitrile-salt mixtures in micellar electrokinetic chromatography.

    PubMed

    So, T S; Jia, L; Huie, C W

    2001-07-01

    The effectiveness of the addition of salt and acetonitrile in the sample matrix to induce narrowing of the analyte zones is demonstrated for the first time in micellar electrokinetic chromatography (MEKC). Using coproporphyrin (CP) I and III isomers as test compounds, the use of sodium cholate (SC) as the micelle in the separation buffer and a high concentration of sodium chloride in the aqueous sample solution (without the presence of an organic solvent) were found to provide enhancement in peak heights for both CP I and III, but yielded very poor resolution of these two positional isomers at sample size of 10% capillary volume or larger. With the addition of acetonitrile as the organic solvent in the aqueous sample solution (acetonitrile-salt mixtures), baseline/partial resolution of CP I and III was obtained even at large injection volumes, along with significant increase in peak heights for both isomers. Possible mechanisms responsible for the narrowing of analyte zones are briefly discussed. The effects of experimental parameters, such as concentrations of salt and acetonitrile, on peak heights and resolution of the test compounds were studied. Importantly, the usefulness of the present method was demonstrated for the MEKC determination of endogenous CP I and III present in normal urine samples with good separation and detection performances. PMID:11504047

  4. Amidation reaction of eugenyl oxyacetate ethyl ester with 1,3 diaminopropane

    NASA Astrophysics Data System (ADS)

    Suryanti, V.; Wibowo, F. R.; Kusumaningsih, T.; Wibowo, A. H.; Khumaidah, S. A.; Wijayanti, L. A.

    2016-04-01

    Eugenol having various substituents on the aromatic ring (hydroxy, methoxy and allyl) are useful for starting material in synthesizing of its derivatives. Eugenol derivatives have shown wide future potential applications in many areas, especially as future drugs against many diseases. The aim of this work was to synthesize an amide of eugenol derivative. The starting material used was eugenol from clove oil and the reaction was conducted in 3 step reactions to give the final product. Firstly, eugenol was converted into eugenyl oxyacetate [2-(4-allyl-2-methoxyphenoxy) acetic acid] as a white crystal with 70.5% yield, which was then esterified with ethanol to have eugenyl oxyacetate ethyl ester [ethyl 2-(4-allyl-2-methoxyphenoxy) acetate] as brown liquid in 75.7%. The last step was the reaction between eugenyl oxyacetate ethyl ester and 1,3 diaminopropane to give 2-(4-allyl-2-methoxyphenoxy)-N-(3-aminopropyl) acetamide as a brown powder with 71.6% yield, where the amidation reaction was occurred.

  5. Why a diaminopyrrolic tripodal receptor binds mannosides in acetonitrile but not in water?

    PubMed Central

    Vila-Viçosa, Diogo; Francesconi, Oscar

    2014-01-01

    Summary Intermolecular interactions involving carbohydrates and their natural receptors play important roles in several biological processes. The development of synthetic receptors is very useful to study these recognition processes. Recently, it was synthetized a diaminopyrrolic tripodal receptor that is selective for mannosides, which are obtained from mannose, a sugar with significant relevance in living systems. However, this receptor is significantly more active in acetonitrile than in water. In this work, we performed several molecular dynamics and constant-pH molecular dynamics simulations in acetonitrile and water to evaluate the conformational space of the receptor and to understand the molecular detail of the receptor–mannoside interaction. The protonation states sampled by the receptor show that the positive charges are always as distant as possible in order to avoid large intramolecular repulsions. Moreover, the conformational space of the receptor is very similar in water above pH 4.0 and in acetonitrile. From the simulations with the mannoside, we observe that the interactions are more specific in acetonitrile (mainly hydrogen bonds) than in water (mainly hydrophobic). Our results suggest that the readiness of the receptor to bind mannoside is not significantly affected in water (above pH 4.0). Probably, the hydrogen bond network that is formed in acetonitrile (which is weaker in water) is the main reason for the higher activity in this solvent. This work also presents a new implementation of the stochastic titration constant-pH molecular dynamics method to a synthetic receptor of sugars and attests its ability to describe the protonation/conformation coupling in these molecules. PMID:25161708

  6. Computational insights into CdSe quantum dots' interactions with acetate ligands.

    PubMed

    Tamukong, Patrick K; Peiris, Wadumesthrige D N; Kilina, Svetlana

    2016-07-27

    Using density functional theory (DFT) and time-dependent DFT (TDDFT), we investigate the effects of carboxylate groups on the electronic and optical properties of CdSe quantum dots (QDs). We specifically focus on the mechanisms of the binding of the acetate anion to the QD surface with and without excess of Cd(2+) cations. Our calculations show that the most stable ligated conformations are those where an acetate is attached to extra Cd(2+) ion forming a [Cd(2+)(CH3COO(-))] at the QD's surface, while also accompanied by an acetate attached nearby at the surface balancing the overall neutral charge of the system. In contrast, formation of a neutral metal-acetate complex [Cd(2+)(CH3COO(-))2] at the QD surface is found to be the least energetically preferable. A strength of the QD-ligand interaction depends on the solvent, the facet of the QD to which the ligands are attached, and the binding mode - with the bridging mode found to be the most stable conformation for both acetate and cadmium acetate ligands. The cadmium acetate ligands introduce electron trap states at the edge of the conduction band - unoccupied orbitals predominately localized on Cd(2+) ion - that are extremely sensitive to the ligand position and the solvent polarity. Polar solvents like acetonitrile delocalize the electronic density over the entire system and, thus, eliminate trap states. As a result, mixed passivation of the CdSe QDs by pairs of cadmium acetate and acetate ligands provides optimal optical properties with minimal contributions of the ligand-related trap states and optically bright lowest energy transitions. PMID:27406268

  7. Process for the preparation of ethyl benzene

    DOEpatents

    Smith, L.A. Jr.; Arganbright, R.P.; Hearn, D.

    1995-12-19

    Ethyl benzene is produced in a catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 50 C to 300 C, using as the catalyst a mole sieve characterized as acidic by feeding ethylene to the catalyst bed while benzene is conveniently added through the reflux to result in a molar excess present in the reactor to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene and diethyl benzene in the bottoms. The bottoms are fractionated, the ethyl benzene recovered and the bottoms are contacted with benzene in the liquid phase in a fixed bed straight pass reactor under conditions to transalkylate the benzene thereby converting most of the diethyl benzene to ethyl benzene which is again separated and recovered. 2 figs.

  8. Process for the preparation of ethyl benzene

    DOEpatents

    Smith, Jr., Lawrence A.; Arganbright, Robert P.; Hearn, Dennis

    1995-01-01

    Ethyl benzene is produced in a catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 50.degree. C. to 300.degree. C., using as the catalyst a mole sieve characterized as acidic by feeding ethylene to the catalyst bed while benzene is conveniently added through the reflux to result in a molar excess present in the reactor to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene and diethyl benzene in the bottoms. The bottoms are fractionated, the ethyl benzene recovered and the bottoms are contacted with benzene in the liquid phase in a fixed bed straight pass reactor under conditions to transalkylate the benzene thereby converting most of the diethyl benzene to ethyl benzene which is again separated and recovered.

  9. 21 CFR 184.1295 - Ethyl formate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... of concentrated sulfuric acid. Ethyl formate occurs naturally in some plant oils, fruits, and juices but does not occur naturally in the animal kingdom. (b) The ingredient meets the specifications of...

  10. 21 CFR 184.1295 - Ethyl formate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    .... Ethyl formate occurs naturally in some plant oils, fruits, and juices but does not occur naturally in the animal kingdom. (b) The ingredient meets the specifications of the “Food Chemicals Codex,” 3d...

  11. 21 CFR 184.1295 - Ethyl formate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... of concentrated sulfuric acid. Ethyl formate occurs naturally in some plant oils, fruits, and juices but does not occur naturally in the animal kingdom. (b) The ingredient meets the specifications of...

  12. Palladium-catalyzed oxidative arylalkylation of activated alkenes: dual C-H bond cleavage of an arene and acetonitrile.

    PubMed

    Wu, Tao; Mu, Xin; Liu, Guosheng

    2011-12-23

    Not one but two: The title reaction proceeds through the dual C-H bond cleavage of both aniline and acetonitrile. The reaction affords a variety of cyano-bearing indolinones in excellent yield. Mechanistic studies demonstrate that this reaction involves a fast arylation of the olefin and a rate-determining C-H activation of the acetonitrile. PMID:22076660

  13. Improved ethyl caproate production of Chinese liquor yeast by overexpressing fatty acid synthesis genes with OPI1 deletion.

    PubMed

    Chen, Yefu; Luo, Weiwei; Gong, Rui; Xue, Xingxiang; Guan, Xiangyu; Song, Lulu; Guo, Xuewu; Xiao, Dongguang

    2016-09-01

    During yeast fermentation, ethyl esters play a key role in the development of the flavor profiles of Chinese liquor. Ethyl caproate, an ethyl ester eliciting apple-like flavor, is the characteristic flavor of strong aromatic liquor, which is the best selling liquor in China. In the traditional fermentation process, ethyl caproate is mainly produced at the later fermentation stage by aroma-producing yeast, bacteria, and mold in a mud pit instead of Saccharomyces cerevisiae at the expense of grains and fermentation time. To improve the production of ethyl caproate by Chinese liquor yeast (S. cerevisiae) with less food consumption and shorter fermentation time, we constructed three recombinant strains, namely, α5-ACC1ΔOPI1, α5-FAS1ΔOPI1, and α5-FAS2ΔOPI1 by overexpressing acetyl-CoA carboxylase (ACC1), fatty acid synthase 1 (FAS1), and fatty acid synthase 2 (FAS2) with OPI1 (an inositol/choline-mediated negative regulatory gene) deletion, respectively. In the liquid fermentation of corn hydrolysate, the contents of ethyl caproate produced by α5-ACC1ΔOPI1, α5-FAS1ΔOPI1, and α5-FAS2ΔOPI1 increased by 0.40-, 1.75-, and 0.31-fold, correspondingly, compared with the initial strain α5. The contents of other fatty acid ethyl esters (FAEEs) (C8:0, C10:0, C12:0) also increased. In comparison, the content of FAEEs produced by α5-FAS1ΔOPI1 significantly improved. Meanwhile, the contents of acetyl-CoA and ethyl acetate were enhanced by α5-FAS1ΔOPI1. Overall, this study offers a promising platform for the development of pure yeast culture fermentation of Chinese strong aromatic liquor without the use of a mud pit. PMID:27344573

  14. 21 CFR 184.1185 - Calcium acetate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    .... No. 62-54-4), also known as acetate of lime or vinegar salts, is the calcium salt of acetic acid. It may be produced by the calcium hydroxide neutralization of acetic acid. (b) The ingredient meets...

  15. 40 CFR 721.10595 - Octadecen-1-aminium, N-ethyl-N,N-dimethy-, ethyl sulfate (1:1).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Octadecen-1-aminium, N-ethyl-N,N... Significant New Uses for Specific Chemical Substances § 721.10595 Octadecen-1-aminium, N-ethyl-N,N-dimethy... chemical substance identified as octadecen-1-aminium, N-ethyl-N,N-dimethy-, ethyl sulfate (1:1) (PMN...

  16. Electrosynthesis and characterization of oligophenylene deriving from 4-(methoxyphenyl)acetonitrile

    NASA Astrophysics Data System (ADS)

    Amor, Sarra Ben; Said, Ayoub Haj; Chemek, Mourad; Ayachi, Sahbi; Massuyeau, Florian; Wéry, Jany; Alimi, Kamel; Roudesli, Sadok

    2013-01-01

    An oligophenylene deriving from the 4-(methoxyphenyl)acetonitrile (MPA), was electrosynthesized by direct anodic oxidation at a constant potential in acetonitrile on a platinium electrode. This oligomer (OMPA) showed a good solubility in common organic solvents. The results of osmometry and gel permeation chromatography analyzes indicated that the average chain length for OMPA was about 5 units. Its chemical structure was elucidated by 1H and 13C NMR, FTIR and UV spectroscopy. A thermal study carried out by thermogravimetric analysis and Differential Scanning Calorimetry showed that the oligomer was stable up to 268 °C. In addition, the photoluminescent properties of OMPA were investigated. In solution, an emission was recorded in the indigo-blue region, however, in solid state this emission was shifted to the orange-red zone. Finally a mechanism for the electro-oligomerization was evoked in the light of the electronic structures of the MPA and its radical cation obtained by DFT calculation.

  17. Copper(I) halide adducts with acetonitrile: an infrared and Raman investigation

    NASA Astrophysics Data System (ADS)

    Zarembowitch, J.; Maleki, R.

    Infrared (4000-200 cm -1) and Raman (4000-15 cm -1) spectra are reported for polycrystalline samples of aN . CuCl and aN . CuBr (aN = acetonitrile). Comparison with the spectral data obtained for liquid acetonitrile leads to a thorough assignment of the bands. The frequency shifts of the stretching modes νCN, νCCN and νCH upon coordination is discussed. The loosening observed for the CH bonds and the fact that the νCN frequency increases only slightly (20 cm -1) upon coordination are accounted for by the existence of a significant π back-bonding from copper(I) to nitrogen. The stretching fundamentals νCuN and νCuX can be identified unambiguously.

  18. Copper-mediated direct C2-cyanation of indoles using acetonitrile as the cyanide source.

    PubMed

    Pan, Changduo; Jin, Hongming; Xu, Pan; Liu, Xu; Cheng, Yixiang; Zhu, Chengjian

    2013-09-20

    A copper-mediated C2-cyanation of indoles using cheap and commercially available acetonitrile as the "nonmetallic" cyanide source was achieved through sequential C-C and C-H bond cleavages. The installation of a removable pyrimidyl group on the indole nitrogen atom is the key for this C2 selectivity. This approach provides a novel and alternative route leading to indole-2-carbonitrile. PMID:23957858

  19. Photochemistry of rose bengal in water and acetonitrile: a comprehensive kinetic analysis.

    PubMed

    Ludvíková, Lucie; Friš, Pavel; Heger, Dominik; Šebej, Peter; Wirz, Jakob; Klán, Petr

    2016-06-28

    The photophysical and photochemical properties of rose bengal (RB) in degassed aqueous and acetonitrile solutions were studied using steady-state and transient absorption spectroscopies. This comprehensive investigation provides detailed information about the kinetics and the optical properties of all intermediates involved: the triplet excited state and the oxidized and reduced forms of RB. A full kinetic description is used to control the concentrations of these intermediates by changing the initial experimental conditions. PMID:27253480

  20. Complex formation of Am(III) and Am(IV) with phosphate ions in acetonitrile solutions

    SciTech Connect

    Perevalov, S.A.; Lebedev, I.A.; Myasoedov, B.F.

    1988-05-01

    The first dissociation constant of H/sub 3/PO/sub 4/ in acetonitrile solution (K/sub 1//sup 0/ = 1.75/centered dot/10/sup /minus/13/) and the constant of formation of H(H/sub 2/PO/sub 4/)/sub 2//sup /minus// dimers (K/sub d//sup 0/ = 8/centered dot/10/sup 2/) were determined by the method of pH-potentiometry. The complex formation of Am(III) in acetonitrile solutions containing 0.05-2.0 M H/sub 3/PO/sub 4/ was investigated by a spectrophotometric method; the stability constants of the complexes AmH/sub 2/PO/sub 4//sup 2+/ (/beta//sub 1//sup III/ = 1.0/centered dot/10/sup 12/) and Am(H/sub 2/PO/sub 4/)/sub 2//sup +/ (/beta//sub 2//sup III/ = 4.3/centered dot/10/sup 24/) were determined. The formal potentials of the couple Am/sup (IV)//Am/sup (III)/ in 0.3-1.9 M solutions of H/sub 3/PO/sub 4/ in acetonitrile were measured, and the stability constant of the phosphate complex of tetravalent americium Am(H/sub 2/PO/sub 4/)/sub 3//sup +/ (/beta//sub 3//sup IV/ = 2.5/centered dot/10/sup 46/) was calculated according to the value of the shift of the potential relative to the standard.

  1. Antibiofilm Properties of Acetic Acid

    PubMed Central

    Bjarnsholt, Thomas; Alhede, Morten; Jensen, Peter Østrup; Nielsen, Anne K.; Johansen, Helle Krogh; Homøe, Preben; Høiby, Niels; Givskov, Michael; Kirketerp-Møller, Klaus

    2015-01-01

    Bacterial biofilms are known to be extremely tolerant toward antibiotics and other antimicrobial agents. These biofilms cause the persistence of chronic infections. Since antibiotics rarely resolve these infections, the only effective treatment of chronic infections is surgical removal of the infected implant, tissue, or organ and thereby the biofilm. Acetic acid is known for its antimicrobial effect on bacteria in general, but has never been thoroughly tested for its efficacy against bacterial biofilms. In this article, we describe complete eradication of both Gram-positive and Gram-negative biofilms using acetic acid both as a liquid and as a dry salt. In addition, we present our clinical experience of acetic acid treatment of chronic wounds. In conclusion, we here present the first comprehensive in vitro and in vivo testing of acetic acid against bacterial biofilms. PMID:26155378

  2. Comparison of methanol and acetonitrile eluents for the quantitation of chelators specific to soft-metal ions by HPLC.

    PubMed

    Ogawa, Shinya; Yoshimura, Etsuro

    2012-11-15

    HPLC eluent systems employing acetonitrile and methanol were evaluated for the quantitation of glutathione (GSH) and phytochelatin (PC(n)), a family of peptides implicated in heavy-metal detoxification in higher plants. The detection system is based on the dequenching of copper(I)-bathocuproine disulfonate and is specific for soft-metal chelators. Although both elution systems yielded comparable analytical performance for each PC(n), the acetonitrile system had a lower sensitivity for GSH and a steadily increasing baseline. The inferior properties of the acetonitrile system may be due to complex formation between acetonitrile and Cu(I) ions. Both methods were applied to measure peptide levels in the primitive red alga Cyanidioschyzon merolae. Coefficients of variation (CVs) were less than 5%, except for GSH and PC(4) determinations in the acetonitrile system, in cases when CV values were found to be 8.8% and 6.3%, respectively. Recoveries were greater than 96%, except for GSH determination in the acetonitrile system, with a recovery of 84.4%; however, the concentration measured in the acetonitrile system did not differ from that measured in the methanol system at a significance level of 0.05. PMID:23153641

  3. Preparation and in vitro evaluation of ethyl cellulose microspheres containing stavudine by the double emulsion method.

    PubMed

    Sahoo, S K; Mallick, A A; Barik, B B; Senapati, P C

    2007-02-01

    The aim of this study was to formulate and evaluate microspheres of stavudine by water-in-oil-in-oil (w/o/o) double emulsion solvent diffusion method using ethyl cellulose and ethyl cellulose in combination with polyvinyl pyrrolidone. A mixed solvent system consisting of acetonitrile and dichloromethane in an 1: 1 ratio and light liquid paraffin was chosen as primary and secondary oil phase, respectively. Span 80 was used as surfactant for stabilizing the secondary oil phase. The influence of formulation factors like stirring speed, surfactant concentration on particle size and polymer:drug ratio and combination of polymers on drug release characteristics of the microspheres was investigated. The prepared microspheres characterized by micrometric properties, drug loading, Fourier transform infrared spectroscopy, X-ray powder difractometry and scanning electron microscopy. The prepared microspheres were white, free flowing and spherical in shape, stable in nature, with 41-65% of drug entrapment efficiency. The best-fit release kinetics was achieved with Higuchi plot followed by first order and zero order. The release of stavudine was influenced by the drug to polymer ratio, particle size and polymer combination. PMID:17341031

  4. Spectroscopic Confirmation of Ethyl Cyanide in Titan’s Atmosphere using ALMA

    NASA Astrophysics Data System (ADS)

    Palmer, Maureen Y.; Cordiner, Martin A.; Nixon, Conor A.; Kisiel, Zbigniew; Charnley, Steven B.; Teanby, Nick; Kuan, Yi-Jehng; Mumma, Michael J.

    2014-11-01

    In the last few decades, many molecular species have been detected in the atmosphere of Titan. The first detection of a new molecule on Titan using high-resolution microwave spectroscopy was by Bézard et al. (1993), who observed multiple emission lines from methyl cyanide (CH3CN) near 221 GHz. The presence of ethyl cyanide (CH3CH2CN) has long been predicted by photochemical models, and the protonated form (CH3CH2CNH+) was previously inferred from Cassini INMS measurements (Vuitton et al. 2006). Here, we present the first spectroscopic detection of ethyl cyanide in Titan's atmosphere, obtained using high spectral/spatial-resolution observations carried out with the Atacama Large Millimeter/sub-millimeter Array (ALMA). We have detected over 30 rotational emission lines from CH3CH2CN in the frequency range 220-350 GHz, and will present a preliminary model for the column density, as well as maps of the CH3CH2CN distribution in Titan's daylight hemisphere.References: Vuitton, Yelle, & Anicich 2006, ApJ, 647, L175.; Bézard, B., Marten, A., & Paubert, G. (1993). Detection of Acetonitrile on Titan. In AAS/Division for Planetary Sciences Meeting Abstracts #25.09, vol. 25 of Bulletin of the American Astronomical Society, (p. 1100).

  5. Removal of 1-ethyl-3-methylimidazolium cations with bacterial biosorbents from aqueous media.

    PubMed

    Won, Sung Wook; Choi, Sun Beom; Mao, Juan; Yun, Yeoung-Sang

    2013-01-15

    This study aims to determine whether biosorption can be used for the removal of ionic liquids (ILs), especially their cationic parts, from aqueous media. As a model IL, 1-ethyl-3-methylimidazolium acetate ([EMIM]OAc) was used. Five types of bacterial biosorbents were prepared from fermentation wastes through chemical modification of the bacterial surface. Screening study was performed to compare the cationic [EMIM] biosorption capacity among the bacterial biosorbents, indicating that the succinated Escherichia coli biomass (SB-E) was the best biosorbent for removing [EMIM] cations. The [EMIM] biosorption performance of SB-E was evaluated in detail through various experiments. The optimal pH range for [EMIM] biosorption was from 7 to 10, and biosorption equilibrium was reached within 10 min. The maximum uptake of SB-E was also estimated to be 72.6 mg/g. Moreover, [EMIM] cations were easily desorbed from [EMIM]-sorbed SB-E by adding acetic acid. PMID:23246948

  6. 40 CFR 721.10244 - Phosphonic acid, P-[2-[bis(2-hydroxyethyl)amino]ethyl]-, 2-[bis(2- chloroethoxy)phosphinyl]ethyl...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Phosphonic acid, P- ethyl]-, 2- ethyl... New Uses for Specific Chemical Substances § 721.10244 Phosphonic acid, P- ethyl]-, 2- ethyl 2... substance identified as phosphonic acid, P- ethyl]-, 2- ethyl 2-chloroethyl ester (PMN P-09-195; CAS...

  7. 40 CFR 721.10244 - Phosphonic acid, P-[2-[bis(2-hydroxyethyl)amino]ethyl]-, 2-[bis(2- chloroethoxy)phosphinyl]ethyl...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Phosphonic acid, P- ethyl]-, 2- ethyl... New Uses for Specific Chemical Substances § 721.10244 Phosphonic acid, P- ethyl]-, 2- ethyl 2... substance identified as phosphonic acid, P- ethyl]-, 2- ethyl 2-chloroethyl ester (PMN P-09-195; CAS...

  8. 40 CFR 721.10244 - Phosphonic acid, P-[2-[bis(2-hydroxyethyl)amino]ethyl]-, 2-[bis(2- chloroethoxy)phosphinyl]ethyl...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Phosphonic acid, P- ethyl]-, 2- ethyl... New Uses for Specific Chemical Substances § 721.10244 Phosphonic acid, P- ethyl]-, 2- ethyl 2... substance identified as phosphonic acid, P- ethyl]-, 2- ethyl 2-chloroethyl ester (PMN P-09-195; CAS...

  9. Pulmonary and percutaneous absorption of 2-propoxyethyl acetate and 2-ethoxyethyl acetate in beagle dogs.

    PubMed Central

    Guest, D; Hamilton, M L; Deisinger, P J; DiVincenzo, G D

    1984-01-01

    A comparison was made of the absorption and elimination rates of 2-propoxyethyl acetate (PEA) and 2-ethoxyethyl acetate (EEA) following inhalation, dermal application or IV administration. Male beagle dogs were exposed to 50 ppm PEA or EEA for 5 hr, and breath samples were collected during the exposure and a 3-hr recovery period. Both compounds were rapidly absorbed through the lungs. After 10 min of exposure, the concentrations of the parent compounds in the expired breath were 5 to 10 ppm (80-90% absorption) and reached plateau values at about 3 hr of 13 ppm for PEA (74% absorption) and 16 ppm for EEA (68% absorption). Post-exposure breath samples declined exponentially to 0.5 ppm and 2 ppm after 3 hr for PEA and EEA, respectively. Expired concentrations of PEA were slightly, but significantly (p less than 0.025), lower than those of EEA at corresponding times during the exposure. After IV dosing with 1 mg/kg [ethyl-1,2-14C]PEA, the urine contained 61% and 88% of the dose in 4 and 24 hr, respectively. [14C]EEA was eliminated more slowly, with 20% and 61% of the dose appearing in the urine in 4 and 24 hr, respectively. Blood elimination half-lives were 1.6 hr for [14C]PEA and 7.9 hr for [14C]EEA. Only trace amounts of 14CO2 (less than 1%) or volatile materials (less than 0.1%) were detected in the expired air with either compound. For studies of percutaneous absorption, [14C]PEA or [14C]EEA was added to undiluted compound and applied in a glass cell to a shaved area on a dog's thorax for 30 or 60 min.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:6499802

  10. Immobilization of Rhodococcus rhodochrous BX2 (an acetonitrile-degrading bacterium) with biofilm-forming bacteria for wastewater treatment.

    PubMed

    Li, Chunyan; Li, Yue; Cheng, Xiaosong; Feng, Liping; Xi, Chuanwu; Zhang, Ying

    2013-03-01

    In this study, a unique biofilm consisting of three bacterial strains with high biofilm-forming capability (Bacillus subtilis E2, E3, and N4) and an acetonitrile-degrading bacterium (Rhodococcus rhodochrous BX2) was established for acetonitrile-containing wastewater treatment. The results indicated that this biofilm exhibited strong resistance to acetonitrile loading shock and displayed a typical spatial and structural heterogeneity and completely depleted the initial concentration of acetonitrile (800mgL(-1)) within 24h in a moving-bed-biofilm reactor (MBBR) after operation for 30days. The immobilization of BX2 cells in the biofilm was confirmed by PCR-DGGE. It has been demonstrated that biofilm-forming bacteria can promote the immobilization of contaminant-degrading bacteria in the biofilms and can subsequently improve the degradation of contaminants in wastewater. This approach offers a novel strategy for enhancing biological oxidation of toxic pollutants in wastewater. PMID:23376196

  11. Ionic liquid mediated technology for synthesis of cellulose acetates using different co-solvents.

    PubMed

    Jogunola, Olatunde; Eta, Valerie; Hedenström, Mattias; Sundman, Ola; Salmi, Tapio; Mikkola, Jyri-Pekka

    2016-01-01

    In this work, cellulose acetate was synthesized under homogeneous conditions. Cellulose was first dispersed in acetone, acetonitrile, 1,5-diazabicyclo(4.3.0)non-5-ene (DBN) or dimethyl sulphoxide (DMSO) and the resulting suspension was dissolved in an ionic liquid, 1,5-diazabicyclo(4.3.0)non-5-enium acetate [HDBN][OAc] at 70°C for 0.5h. It was possible to dissolve more than 12wt% cellulose with a degree of polymerization in the range of 1000-1100. The dissolved cellulose was derivatized with acetic anhydride (Ac2O) to yield acetylated cellulose. As expected, the use of the co-solvents improved the acetylation process significantly. In fact, cellulose acetates with different properties could be obtained in half an hour, thus facilitating rapid processing. When DBN was used as the dispersing agent (the precursor of the ionic liquid), the problems associated with recycling of the ionic liquid were significantly reduced. In fact, additional [HDBN][OAc] was obtained from the interaction of the DBN and the by-product, acetic acid (from Ac2O). However, the cellulose acetate obtained in this manner had the lowest DS. Consequently, the native cellulose and acetylated celluloses were characterized by means of (1)H- and (13)C-NMR, FT-IR, GPC/SEC and by titration. The cellulose acetates produced were soluble in organic solvents such as acetone, chloroform, dichloromethane and DMSO which is essential for their further processing. It was demonstrated that the ionic liquid can be recovered from the system by distillation and re-used in consecutive acetylation batches. PMID:26453886

  12. Simultaneous determination of mequindox, quinocetone, and their major metabolites in chicken and pork by UPLC-MS/MS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This research presents a sensitive and confirmatory multi-residue method for mequindox (MEQ), quinocetone (QCT), and their 11 metabolites in chicken and pork samples. After extracted with acetonitrile-ethyl acetate, acidulated, and extracted again with ethyl acetate sequentially, each sample was pu...

  13. 21 CFR 184.1185 - Calcium acetate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Calcium acetate. 184.1185 Section 184.1185 Food and... Substances Affirmed as GRAS § 184.1185 Calcium acetate. (a) Calcium acetate (Ca (C2H3O2)2, CAS Reg. No. 62-54-4), also known as acetate of lime or vinegar salts, is the calcium salt of acetic acid. It may...

  14. Tuning Chocolate Flavor through Development of Thermotolerant Saccharomyces cerevisiae Starter Cultures with Increased Acetate Ester Production

    PubMed Central

    Meersman, Esther; Steensels, Jan; Struyf, Nore; Paulus, Tinneke; Saels, Veerle; Mathawan, Melissa; Allegaert, Leen; Vrancken, Gino

    2015-01-01

    Microbial starter cultures have extensively been used to enhance the consistency and efficiency of industrial fermentations. Despite the advantages of such controlled fermentations, the fermentation involved in the production of chocolate is still a spontaneous process that relies on the natural microbiota at cocoa farms. However, recent studies indicate that certain thermotolerant Saccharomyces cerevisiae cultures can be used as starter cultures for cocoa pulp fermentation. In this study, we investigate the potential of specifically developed starter cultures to modulate chocolate aroma. Specifically, we developed several new S. cerevisiae hybrids that combine thermotolerance and efficient cocoa pulp fermentation with a high production of volatile flavor-active esters. In addition, we investigated the potential of two strains of two non-Saccharomyces species that produce very large amounts of fruity esters (Pichia kluyveri and Cyberlindnera fabianii) to modulate chocolate aroma. Gas chromatography-mass spectrometry (GC-MS) analysis of the cocoa liquor revealed an increased concentration of various flavor-active esters and a decrease in spoilage-related off-flavors in batches inoculated with S. cerevisiae starter cultures and, to a lesser extent, in batches inoculated with P. kluyveri and Cyb. fabianii. Additionally, GC-MS analysis of chocolate samples revealed that while most short-chain esters evaporated during conching, longer and more-fat-soluble ethyl and acetate esters, such as ethyl octanoate, phenylethyl acetate, ethyl phenylacetate, ethyl decanoate, and ethyl dodecanoate, remained almost unaffected. Sensory analysis by an expert panel confirmed significant differences in the aromas of chocolates produced with different starter cultures. Together, these results show that the selection of different yeast cultures opens novel avenues for modulating chocolate flavor. PMID:26590272

  15. Strategies for the Hyperpolarization of Acetonitrile and Related Ligands by SABRE

    PubMed Central

    2014-01-01

    We report on a strategy for using SABRE (signal amplification by reversible exchange) for polarizing 1H and 13C nuclei of weakly interacting ligands which possess biologically relevant and nonaromatic motifs. We first demonstrate this via the polarization of acetonitrile, using Ir(IMes)(COD)Cl as the catalyst precursor, and confirm that the route to hyperpolarization transfer is via the J-coupling network. We extend this work to the polarization of propionitrile, benzylnitrile, benzonitrile, and trans-3-hexenedinitrile in order to assess its generality. In the 1H NMR spectrum, the signal for acetonitrile is enhanced 8-fold over its thermal counterpart when [Ir(H)2(IMes)(MeCN)3]+ is the catalyst. Upon addition of pyridine or pyridine-d5, the active catalyst changes to [Ir(H)2(IMes)(py)2(MeCN)]+ and the resulting acetonitrile 1H signal enhancement increases to 20- and 60-fold, respectively. In 13C NMR studies, polarization transfers optimally to the quaternary 13C nucleus of MeCN while the methyl 13C is hardly polarized. Transfer to 13C is shown to occur first via the 1H–1H coupling between the hydrides and the methyl protons and then via either the 2J or 1J couplings to the respective 13Cs, of which the 2J route is more efficient. These experimental results are rationalized through a theoretical treatment which shows excellent agreement with experiment. In the case of MeCN, longitudinal two-spin orders between pairs of 1H nuclei in the three-spin methyl group are created. Two-spin order states, between the 1H and 13C nuclei, are also created, and their existence is confirmed for Me13CN in both the 1H and 13C NMR spectra using the Only Parahydrogen Spectroscopy protocol. PMID:25539423

  16. Acetonitrile and N-Chloroacetamide Formation from the Reaction of Acetaldehyde and Monochloramine.

    PubMed

    Kimura, Susana Y; Vu, Trang Nha; Komaki, Yukako; Plewa, Michael J; Mariñas, Benito J

    2015-08-18

    Nitriles and amides are two classes of nitrogenous disinfection byproducts (DBPs) associated with chloramination that are more cytotoxic and genotoxic than regulated DBPs. Monochloramine reacts with acetaldehyde, a common ozone and free chlorine disinfection byproduct, to form 1-(chloroamino)ethanol. Equilibrium (K1) and forward and reverse rate (k1,k-1) constants for the reaction between initial reactants and 1-(chloroamino)ethanol were determined between 2 and 30 °C. Activation energies for k1 and k-1 were 3.04 and 45.2 kJ·mol(-1), respectively, and enthalpy change for K1 was -42.1 kJ·mol(-1). In parallel reactions, 1-(chloroamino)ethanol (1) slowly dehydrated (k2) to (chloroimino)ethane that further decomposed to acetonitrile and (2) was oxidized (k3) by monochloramine to produce N-chloroacetamide. Both reactions were acid/base catalyzed, and rate constants were characterized at 10, 18, and 25 °C. Modeling for drinking water distribution system conditions showed that N-chloroacetamide and acetonitrile concentrations were 5-9 times higher at pH 9.0 compared to 7.8. Furthermore, acetonitrile concentration was found to form 7-10 times higher than N-chloroacetamide under typical monochloramine and acetaldehyde concentrations. N-chloroacetamide cytotoxicity (LC50 = 1.78 × 10(-3) M) was comparable to dichloroacetamide and trichloroacetamide, but less potent than N,2-dichloroacetamide and chloroacetamide. While N-chloroacetamide was not found to be genotoxic, N,2-dichloroacetamide genotoxic potency (5.19 × 10(-3) M) was on the same order of magnitude as chloroacetamide and trichloroacetamide. PMID:26167888

  17. Tropospheric light alcohols, carbonyls, and acetonitrile: Concentrations in the southwestern United States and Henry's Law data

    NASA Astrophysics Data System (ADS)

    Snider, Jefferson R.; Dawson, G. A.

    1985-04-01

    Aliphatic alcohols (C1 - C4), aldehydes (C1 - C2) and ketones (C3 - C4) have been determined at Tucson, Arizona, and at two rural sites about 40 km distant. Acetonitrile was also measured at the rural sites. The method involved condensation sampling, condensate preconcentration, and gas chromatography. Henry's law coefficients were required for all components and were determined. Mean concentrations in Tucson were higher than those in the rural areas by factors typically between 2 and 8; urban formaldehyde was only slightly elevated. Mean alcohol concentrations ranged from 7.9 ppb (C1) to 0.12 ppb (C4) within the city and from 2.6 ppb (C1) to 0.06 ppb (C4) at the rural sites. Acetone was found at 12 ppb in the city and 2.8 ppb at the rural sites. Concentrations of butanone were a factor of 5 lower. Acetaldehyde, at 23 ppb (city) and 6.9 ppb (rural), far exceeded formaldehyde concentrations (1.8 ppb in the city, and 1.5 ppb at the rural sites). Acetonitrile was found at the rural sites at a mean concentration of 60 ppt. A dimensionless Henry's law coefficient (mol L-1 of liquid/mol L-1 of vapor) was suprisingly similar for the alcohols at 0°C, ranging between 2×104 and 3.4×104 (900-1500 mol L-1 atm-1) the ketones were a factor of 10 lower. For acetaldehyde the coefficient was 1.7×103 (76 mol L-1 atm-1) and for acetonitrile 3.7×103 (165 mol L-1 atm-1). Concentrations of oxygenated organics in the condensates and in precipitation were compared; it was tentatively concluded that concentration differences of the carbonyls were consistent with these species being produced within the cloud, for example, by aqueous photochemistry.

  18. Ligand sensitized luminescence of uranyl by benzoic acid in acetonitrile medium: A new luminescent uranyl benzoate specie

    NASA Astrophysics Data System (ADS)

    Kumar, Satendra; Maji, S.; Joseph, M.; Sankaran, K.

    2015-03-01

    Benzoic acid (BA) is shown to sensitize and enhance the luminescence of uranyl ion in acetonitrile medium. Luminescence spectra and especially UV-Vis spectroscopy studies reveal the formation of tri benzoate complex of uranyl i.e. [UO2(C6H5COO)3]- which is highly luminescent. In particular, three sharp bands at 431, 443, 461 nm of absorption spectra provides evidence for tri benzoate specie of uranyl in acetonitrile medium. The luminescence lifetime of uranyl in this complex is 68 μs which is much more compared to the lifetime of uncomplexed uranyl (20 μs) in acetonitrile medium. In contrary to aqueous medium where uranyl benzoate forms 1:1 and 1:2 species, spectroscopic data reveal formation of 1:3 complex in acetonitrile medium. Addition of water to acetonitrile results in decrease of luminescence intensity of this specie and the luminescence features implode at 20% (v/v) of water content. For the first time, to the best of our knowledge, the existence of [UO2(C6H5COO)3]- specie in acetonitrile is reported. Mechanism of luminescence enhancement is discussed.

  19. Ligand sensitized luminescence of uranyl by benzoic acid in acetonitrile medium: a new luminescent uranyl benzoate specie.

    PubMed

    Kumar, Satendra; Maji, S; Joseph, M; Sankaran, K

    2015-03-01

    Benzoic acid (BA) is shown to sensitize and enhance the luminescence of uranyl ion in acetonitrile medium. Luminescence spectra and especially UV-Vis spectroscopy studies reveal the formation of tri benzoate complex of uranyl i.e. [UO2(C6H5COO)3](-) which is highly luminescent. In particular, three sharp bands at 431, 443, 461nm of absorption spectra provides evidence for tri benzoate specie of uranyl in acetonitrile medium. The luminescence lifetime of uranyl in this complex is 68μs which is much more compared to the lifetime of uncomplexed uranyl (20μs) in acetonitrile medium. In contrary to aqueous medium where uranyl benzoate forms 1:1 and 1:2 species, spectroscopic data reveal formation of 1:3 complex in acetonitrile medium. Addition of water to acetonitrile results in decrease of luminescence intensity of this specie and the luminescence features implode at 20% (v/v) of water content. For the first time, to the best of our knowledge, the existence of [UO2(C6H5COO)3](-) specie in acetonitrile is reported. Mechanism of luminescence enhancement is discussed. PMID:25528510

  20. Elastic electron scattering by ethyl vinyl ether

    SciTech Connect

    Khakoo, M. A.; Hong, L.; Kim, B.; Winstead, C.; McKoy, V.

    2010-02-15

    We report measured and calculated results for elastic scattering of low-energy electrons by ethyl vinyl ether (ethoxyethene), a prototype system for studying indirect dissociative attachment processes that may play a role in DNA damage. The integral cross section displays the expected {pi}{sup *} shape resonance. The agreement between the calculated and measured cross sections is generally good.

  1. Ethyl p-nitrophenyl phenylphosphorothioate (EPN)

    Integrated Risk Information System (IRIS)

    Ethyl p - nitrophenyl phenylphosphorothioate ( EPN ) ; CASRN 2104 - 64 - 5 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Ha

  2. 21 CFR 184.1295 - Ethyl formate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ethyl formate. 184.1295 Section 184.1295 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS §...

  3. 21 CFR 184.1295 - Ethyl formate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ethyl formate. 184.1295 Section 184.1295 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS §...

  4. 49 CFR 173.322 - Ethyl chloride.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 2 2013-10-01 2013-10-01 false Ethyl chloride. 173.322 Section 173.322 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS MATERIALS SAFETY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION HAZARDOUS MATERIALS REGULATIONS SHIPPERS-GENERAL REQUIREMENTS FOR SHIPMENTS AND PACKAGINGS Gases; Preparation...

  5. Striations in an ethyl alcohol glow discharge

    NASA Astrophysics Data System (ADS)

    Reyes, P. G.; Gómez, A.; Torres, C.; Martínez, H.; Castillo, F.; Vergara, J.

    2015-03-01

    This research shows the behavior of striations in glow discharge generated with high purity ethyl alcohol at a pressure of 0.6 Torr. This paper present the number of striations as a function of the of current and voltage discharge.

  6. Density Functional Studies on the Complexation and Spectroscopy of Uranyl Ligated with Acetonitrile and Acetone Derivatives

    SciTech Connect

    Schoendorff, George E.; Windus, Theresa L.; De Jong, Wibe A.

    2009-12-12

    The coordination of nitrile (acetonitrile, propionitrile, and benzonitrile) and carbonyl (formaldehyde, ethanal, and acetone) ligands to the uranyl dication (UO22+) has been examined using density functional theory (DFT) utilizing relativistic effective core potentials (RECPs). Complexes containing up to six ligands have been modeled for all ligands except formaldehyde, for which no minimum could be found. A comparison of relative binding energies indicates that five coordinate complexes are predominant while a six coordinate complex involving propionitrile ligands might be possible. Additionally, the relative binding energy and the weakening of the uranyl bond is related to the size of the ligand and, in general, nitriles bind more strongly to uranyl than carbonyls.

  7. Elemental step thermodynamics of various analogues of indazolium alkaloids to obtaining hydride in acetonitrile.

    PubMed

    Lei, Nan-Ping; Fu, Yan-Hua; Zhu, Xiao-Qing

    2015-12-21

    A series of analogues of indazolium alkaloids were designed and synthesized. The thermodynamic driving forces of the 6 elemental steps for the analogues of indazolium alkaloids to obtain hydride in acetonitrile were determined using an isothermal titration calorimeter (ITC) and electrochemical methods, respectively. The effects of molecular structure and substituents on the thermodynamic driving forces of the 6 steps were examined. Meanwhile, the oxidation mechanism of NADH coenzyme by indazolium alkaloids was examined using the chemical mimic method. The result shows that the oxidation of NADH coenzyme by indazolium alkaloids in vivo takes place by one-step concerted hydride transfer mechanism. PMID:26451708

  8. Possible stabilization of the tetravalent oxidation state of berkelium and californium in acetonitrile with triphenylarsine oxide

    SciTech Connect

    Payne, G.F.; Peterson, J.R.

    1987-01-01

    It appears that we may have prepared Bk(IV) nitrate.nTPAs0 and Bk(IV) perchlorate.nTPAs0 complexes which formed the corresponding Cf(IV) complexes through the beta decay of Bk-249. Definitive proof should come from similar experiments with quantities of Bk-249 large enough to allow spectrophotometric detection of the characteristic f..-->..f transitions in these berkelium and californium species. It is clear, however, that TPAs0 and acetonitrile can play a pivotal role in the stabilization of lanact(IV) species.

  9. Low-temperature liquid-liquid extraction of phenols from aqueous solutions with hydrophilic mixtures of extractants

    NASA Astrophysics Data System (ADS)

    Rudakov, O. B.; Khorokhordina, E. A.; Preobrazhenskii, M. A.; Rudakova, L. V.

    2016-08-01

    The volume ratios in acetonitrile-ethyl acetate (90 : 10, 95 : 5), acetonitrile-isopropanol-ethyl acetate (70 : 15 : 15, 80 : 5 : 15), and isopropanol-1-butanol (50 : 50) mixtures were determined. Their mixing with water (1 : 1) and storage at-10°C led to partitioning into two immiscible liquid phases without formation of the ice phase. The mixtures were shown to be useful as hydrophilic extractants in low-temperature liquidliquid extraction of phenol from aqueous solutions.

  10. Synthesis and characterization of cyclic acetal based degradable hydrogels.

    PubMed

    Kaihara, Sachiko; Matsumura, Shuichi; Fisher, John P

    2008-01-01

    While many synthetic, hydrolytically degradable hydrogels have been developed for biomedical applications, there are only a few examples whose polymer backbone does not form acidic products upon degradation. In order to address this concern, we proposed to develop a hydrogel based on a cyclic acetal unit that produces diols and propanals upon hydrolytic degradation. In particular, we proposed the fabrication of hydrogels formed by the free radical polymerization of two diacrylate monomers, 5-ethyl-5-(hydroxymethyl)-beta,beta-dimethyl-1,3-dioxane-2-ethanol diacrylate (EHD), a cyclic acetal having two acryl groups, and poly(ethylene glycol)diacrylate (PEGDA). However, the hydrophobicity of the EHD monomer inhibits hydrogel fabrication. Therefore this work develops a strategy to form hydrogels with a co-monomer system, one of which is hydrophobic, and subsequently describes the properties of the resulting hydrogel. Using benzoyl peroxide as an initiator and N,N-dimethyl-p-toluidine as an accelerator, the EHD and PEGDA monomers were reacted in an acetone/water co-solvent system. The chemical structure of the resulting EH-PEG [5-ethyl-5-(hydroxymethyl)-beta,beta-dimethyl-1,3-dioxane-2-ethanol-co-PEG] hydrogel was then characterized by FT-IR. Physicochemical properties of the EH-PEG hydrogel, including swelling degree, sol fraction, and contact angle, were determined so as to characterize the properties of these materials and ultimately investigate their use in drug delivery and tissue engineering applications. Results showed that EH-PEG hydrogel may be formed using the co-solvent system. Further results indicated that swelling degree is dependent upon initiator concentration, monomer concentration, and molar ratios of monomers, while sol fraction significantly depended on initiator concentration and monomer concentration, only. These results demonstrate the ability to fabricate hydrogels using EHD and PEGDA system as well as to control the properties of the resulting

  11. 21 CFR 177.1320 - Ethylene-ethyl acrylate copolymers.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... prescribed for polyethylene in § 177.1520. (1) Specifications—(i) Infrared identification. Ethylene-ethyl acrylate copolymers can be identified by their characteristic infrared spectra. (ii) Quantitative determination of ethyl acrylate content. The ethyl acrylate can be determined by the infrared spectra. Prepare...

  12. 21 CFR 177.1320 - Ethylene-ethyl acrylate copolymers.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... § 177.1520. (1) Specifications—(i) Infrared identification. Ethylene-ethyl acrylate copolymers can be identified by their characteristic infrared spectra. (ii) Quantitative determination of ethyl acrylate content. The ethyl acrylate can be determined by the infrared spectra. Prepare a scan from 10.5 microns...

  13. 21 CFR 177.1320 - Ethylene-ethyl acrylate copolymers.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... prescribed for polyethylene in § 177.1520. (1) Specifications—(i) Infrared identification. Ethylene-ethyl acrylate copolymers can be identified by their characteristic infrared spectra. (ii) Quantitative determination of ethyl acrylate content. The ethyl acrylate can be determined by the infrared spectra. Prepare...

  14. 21 CFR 177.1320 - Ethylene-ethyl acrylate copolymers.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... prescribed for polyethylene in § 177.1520. (1) Specifications—(i) Infrared identification. Ethylene-ethyl acrylate copolymers can be identified by their characteristic infrared spectra. (ii) Quantitative determination of ethyl acrylate content. The ethyl acrylate can be determined by the infrared spectra. Prepare...

  15. 21 CFR 177.1320 - Ethylene-ethyl acrylate copolymers.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... prescribed for polyethylene in § 177.1520. (1) Specifications—(i) Infrared identification. Ethylene-ethyl acrylate copolymers can be identified by their characteristic infrared spectra. (ii) Quantitative determination of ethyl acrylate content. The ethyl acrylate can be determined by the infrared spectra. Prepare...

  16. 40 CFR 180.441 - Quizalofop ethyl; tolerances for residues.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... residues of the herbicide quizalofop ethyl, including its metabolites and degradates, in or on the....05 (2) Tolerances are established for residues of the herbicide quizalofop ethyl, including its... with regional registration are established for residues of the herbicide quizalofop ethyl,...

  17. 40 CFR 180.441 - Quizalofop ethyl; tolerances for residues.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... residues of the herbicide quizalofop ethyl, including its metabolites and degradates, in or on the....05 (2) Tolerances are established for residues of the herbicide quizalofop ethyl, including its... with regional registration are established for residues of the herbicide quizalofop ethyl,...

  18. 40 CFR 180.441 - Quizalofop ethyl; tolerances for residues.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... combined residues of the herbicide quizalofop (2- propanoic acid) and quizalofop ethyl (ethyl-2- propanoate...) Tolerances are established for the combined residues of the herbicide quizalofop (2- propanoic acid... herbicide quizalofop-p ethyl ester , and its acid metabolite quizalofop-p , and the S enantiomers of...

  19. 40 CFR 180.441 - Quizalofop ethyl; tolerances for residues.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... residues of the herbicide quizalofop ethyl, including its metabolites and degradates, in or on the....05 (2) Tolerances are established for residues of the herbicide quizalofop ethyl, including its... with regional registration are established for residues of the herbicide quizalofop ethyl,...

  20. Vibrational Relaxation of the Aqueous Proton in Acetonitrile: Ultrafast Cluster Cooling and Vibrational Predissociation.

    PubMed

    Ottosson, N; Liu, L; Bakker, H J

    2016-07-28

    We study the ultrafast O-H stretch vibrational relaxation dynamics of protonated water clusters embedded in a matrix of deuterated acetonitrile, using polarization-resolved mid-IR femtosecond spectroscopy. The clusters are produced by mixing triflic (trifluoromethanesulfonic) acid and H2O in molar ratios of 1:1, 1:2, and 1:3, thus varying the degree of hydration of the proton. At all hydration levels the excited O-H stretch vibration of the hydrated proton shows an ultrafast vibrational relaxation with a time constant T1 < 100 fs, leading to an ultrafast local heating of the protonated water cluster. This excess thermal energy, initially highly localized to the region of the excited proton, first re-distributes over the aqueous cluster and then dissipates into the surrounding acetonitrile matrix. For clusters with a triflic acid to H2O ratio of 1:3 these processes occur with time constants of 320 ± 20 fs and 1.4 ± 0.1 ps, respectively. The cooling of the clusters reveals a long-living, underlying transient absorption change with high anisotropy. We argue that this feature stems from the vibrational predissociation of a small fraction of the proton hydration structures, directly following the ultrafast infrared excitation. PMID:27333302

  1. Pediatric cyanide intoxication and death from an acetonitrile-containing cosmetic

    SciTech Connect

    Caravati, E.M.; Litovitz, T.L. )

    1988-12-16

    Two cases of pediatric accidental ingestion of an acetonitrile-containing cosmetic are reported. One of the children, a 16-month-old boy, was found dead in bed the morning after ingesting the product. No therapy had been undertaken, as the product was mistakenly assumed to be an acetone-containing nail polish remover. The second child, a 2-year-old boy, experienced signs of severe cyanide poisoning, but survived with vigorous supportive care. Both children had blood cyanide levels in the potentially lethal range. The observed delayed onset of severe toxic reactions supports the proposed mechanism of acetonitrile conversion to inorganic cyanide via hepatic microsomal enzymes. Physicians and poison centers should be alerted to the existence of this highly toxic product, sold for removal of sculptured nails and likely to be confused with the less toxic acetone-containing nail polish removers. The authors urge regulatory agencies to reconsider the wisdom of marketing a cosmetic that poses such an extreme health hazard.

  2. Pediatric cyanide intoxication and death from an acetonitrile-containing cosmetic.

    PubMed

    Caravati, E M; Litovitz, T L

    1988-12-16

    Two cases of pediatric accidental ingestion of an acetonitrile-containing cosmetic are reported. One of the children, a 16-month-old boy, was found dead in bed the morning after ingesting the product. No therapy had been undertaken, as the product was mistakenly assumed to be an acetone-containing nail polish remover. The second child, a 2-year-old boy, experienced signs of severe cyanide poisoning, but survived with vigorous supportive care. Both children had blood cyanide levels in the potentially lethal range. The observed delayed onset of severe toxic reactions supports the proposed mechanism of acetonitrile conversion to inorganic cyanide via hepatic microsomal enzymes. Physicians and poison centers should be alerted to the existence of this highly toxic product, sold for removal of sculptured nails and likely to be confused with the less toxic acetone-containing nail polish removers. We urge regulatory agencies to reconsider the wisdom of marketing a cosmetic that poses such an extreme health hazard. PMID:3062198

  3. A tetranuclear cadmium(II) complex based on the 2-(quinolin-8-yloxy)acetonitrile ligand.

    PubMed

    Liu, Ming-Liang; Ye, Qiong

    2013-01-01

    The hydrothermal reaction of 2-(quinolin-8-yloxy)acetonitrile and Cd(ClO(4))(2) yielded the noncentrosymmetric coordination complex tetrakis[μ-2-(quinolin-8-yloxy)acetato]tetrakis[μ-2-(quinolin-8-yloxy)acetonitrile]tetracadmium tetrakis(perchlorate) dihydrate, [Cd(4)(C(11)H(8)NO(3))(4)(C(11)H(8)N(2)O)(4)](ClO(4))(4)·2H(2)O. The local coordination environment around the Cd(II) cation can be best described as a capped octahedron defined by two N atoms and five O atoms from three ligands. The Cd(II) cations are linked by the ligands with Cd-O-Cd and Cd-O-C-C-O-Cd bridges, forming tetranuclear units, there being two independent tertranuclear units in the structure. The fourfold rotoinversion centre sits at the centre of each Cd(4) core. The two perchlorate anions in the asymmetric unit are linked by the water molecule through O-H...O hydrogen bonds. PMID:23282905

  4. Desmopressin Acetate in Intracranial Haemorrhage

    PubMed Central

    Kapapa, Thomas; Röhrer, Stefan; Struve, Sabine; Petscher, Matthias; König, Ralph; Wirtz, Christian Rainer; Woischneck, Dieter

    2014-01-01

    Introduction. The secondary increase in the size of intracranial haematomas as a result of spontaneous haemorrhage or trauma is of particular relevance in the event of prior intake of platelet aggregation inhibitors. We describe the effect of desmopressin acetate as a means of temporarily stabilising the platelet function. Patients and Methods. The platelet function was analysed in 10 patients who had received single (N = 4) or multiple (N = 6) doses of acetylsalicylic acid and 3 patients (control group) who had not taken acetylsalicylic acid. All subjects had suffered intracranial haemorrhage. Analysis was performed before, half an hour and three hours after administration of desmopressin acetate. Statistical analysis was performed by applying a level of significance of P ≤ 0.05. Results. (1) Platelet function returned to normal 30 minutes after administration of desmopressin acetate. (2) The platelet function worsened again after three hours. (3) There were no complications related to electrolytes or fluid balance. Conclusion. Desmopressin acetate can stabilise the platelet function in neurosurgical patients who have received acetylsalicylic acid prior to surgery without causing transfusion-related side effects or a loss of time. The effect is, however, limited and influenced by the frequency of drug intake. Further controls are needed in neurosurgical patients. PMID:25610644

  5. Reductive opening of carbohydrate phenylsulfonylethylidene (PSE) acetals.

    PubMed

    Chéry, Florence; Cabianca, Elena; Tatibouët, Arnaud; De Lucchi, Ottorino; Lindhorst, Thisbe K; Rollin, Patrick

    2015-11-19

    The phenylsulfonylethylidene (PSE) acetal is a relatively new protecting group in carbohydrate chemistry. However, carbohydrate-derived phenylsulfonylethylidene (PSE) acetals show a different behavior in reductive desulfonylation than simple symmetrical acetals. Here we have investigated various SET-type reaction conditions in order to open PSE acetals regioselectively and to produce chiral ω-hydroxyethenyl ethers. Whereas sodium amalgam leads to a mixture of regioisomeric vinyl ethers besides the ethylidene acetal, samarium iodide is suited for regioselective ring opening. This is shown with seven different carbohydrate PSE acetals, both of the 1,3-dioxane and the 1,3-dioxolane type. PMID:26469209

  6. Facile pulping of lignocellulosic biomass using choline acetate.

    PubMed

    Cheng, Fangchao; Wang, Hui; Chatel, Gregory; Gurau, Gabriela; Rogers, Robin D

    2014-07-01

    Treating ground bagasse or Southern yellow pine in the biodegradable ionic liquid (IL), choline acetate ([Cho][OAc]), at 100°C for 24h led to dissolution of hemicellulose and lignin, while leaving the cellulose pulp undissolved, with a 54.3% (bagasse) or 34.3% (pine) reduction in lignin content. The IL solution of the dissolved biopolymers can be separated from the undissolved particles either by addition of water (20 wt% of IL) followed by filtration or by centrifugation. Hemicellulose (19.0 wt% of original bagasse, 10.2 wt% of original pine, containing 14-18 wt% lignin) and lignin (5.0 wt% of original bagasse, 6.0 wt% of original pine) could be subsequently precipitated. The pulp obtained from [Cho][OAc] treatment can be rapidly dissolved in 1-ethyl-3-methylimidazolium acetate (e.g., 17 h for raw bagasse vs. 7h for pulp), and precipitated as cellulose-rich material (CRM) with a lower lignin content (e.g., 23.6% for raw bagasse vs. 10.6% for CRM). PMID:24874879

  7. Production of ethyl alcohol from bananas

    SciTech Connect

    Jones, R.L.; Towns, T.

    1983-12-01

    The production of ethyl alcohol from waste bananas presents many special problems. During cooking, matting of the latex fibers from the banana peel recongeal when cooled and left untreated. This problem has been addressed by Alfaro by the use of CaC1/sub 2/. Separation of solids prior to distillation of the mashes in an economical fashion and use of the by product are also of concern to banana processors.

  8. Synthesis of Ethyl Salicylate Using Household Chemicals

    NASA Astrophysics Data System (ADS)

    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.

  9. The interhemispheric distribution and the budget of acetonitrile in the troposphere

    NASA Astrophysics Data System (ADS)

    Hamm, Stephan; Warneck, Peter

    1990-11-01

    Gas chromatography in conjunction with a thermionic nitrogen-specific detector was used to determine mixing ratios of acetonitrile in air samples collected in Europe and over the Atlantic Ocean. In the city of Mainz, values of the order of 340 pptv were observed with large variations indicating the vicinity of sources. In the rural community of Deuselbach the average mixing ratio was 147±28 pptv; over the North Sea the range was 65-196 pptv depending on wind direction, with the lowest values occurring for northerly winds from the open ocean. The distribution of CH3 CN with geographic latitude over the Atlantic Ocean was explored between 30°S and 50°N on board R/V Polarstern during the cruise ANT V/5 in March-April 1987. Over the open ocean, maximum mixing ratios were observed near 4°S with values of 175 pptv. At latitudes near 30°S the mixing ratio averaged 90.4 pptv, whereas at 30°N the average was 52.1 pptv. The lowest mixing ratios of 21 pptv were found near 50°N. The tropical maximum is attributed to the advection with the trade winds of continental air from Africa, enriched with acetonitrile from biomass burning. The mixing ratios north and south of the maximum correlate well with the surface temperature of seawater, indicating a gas-liquid equilibrium for CH3 CN dissolved in seawater. From the observations and with the further assumption that CH3 CN is vertically well mixed, its total mass content in the troposphere was estimated as 0.37-0.57 Tg. Global emission rates for various sources were estimated as follows: automobiles 0.27 Tg/year, oil-fired power stations 0.0035 Tg/year, and biomass burning 0.80 Tg/year. The total estimated source strength is 1.1±0.5 Tg/year. The tropospheric residence time of acetonitrile was calculated from these data as 0.23-0.90 year with a probable value of 0.45 year. Wet precipitation and reaction with OH radicals are known sinks for tropospheric CH3 CN, but they can take up only 30% of the global emission rate. We

  10. Computer assisted modeling of ethyl sulfate pharmacokinetics.

    PubMed

    Schmitt, Georg; Halter, Claudia C; Aderjan, Rolf; Auwaerter, Volker; Weinmann, Wolfgang

    2010-01-30

    For 12 volunteers of a drinking experiment the concentration-time-courses of ethyl sulfate (EtS) and ethanol were simulated and fitted to the experimental data. The concentration-time-courses were described with the same mathematical model as previously used for ethyl glucuronide (EtG). The kinetic model based on the following assumptions and simplifications: a velocity constant k(form) for the first order formation of ethyl sulfate from ethanol and an exponential elimination constant k(el). The mean values (and standard deviations) obtained for k(form) and k(el) were 0.00052 h(-1) (0.00014) and 0.561 h(-1) (0.131), respectively. Using the ranges of these parameters it is possible to calculate minimum and maximum serum concentrations of EtS based on stated ethanol doses and drinking times. The comparison of calculated and measured concentrations can prove the plausibility of alleged ethanol consumption and add evidence to the retrospective calculation of ethanol concentrations based on EtG concentrations. PMID:19913378

  11. The binding of ethyl isocyanide to ferroperoxidase

    PubMed Central

    Phelps, Charles; Antonini, Eraldo; Brunori, Maurizio

    1972-01-01

    The equilibrium and kinetics of ethyl isocyanide binding to ferroperoxidase were studied. At pH9.1 the results of both studies are consistent with a single-process model with an affinity constant of 95m−1 and combination and dissociation constants of 2.2×103m−1·s−1 and 23s−1 respectively. Ethyl isocyanide is not bound significantly at pH values lower than 6.0, and in this behaviour and the pH-dependence of the affinity constant, similarities exist between isocyanide and cyanide binding. The enthalpy of the process measured by equilibrium methods is −59kJ/mol (−14kcal/mol). At pH values below 9, the ethyl isocyanide adduct changes in a slow time-dependent manner, giving rise to a new species. These changes are reversible on increasing the pH. The results are discussed in relation to other known information about ligand binding to ferroperoxidase and to myoglobin. PMID:5084796

  12. 40 CFR 721.3152 - Ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...-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...

  13. 40 CFR 721.3152 - Ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, diester with C12-18 fatty acids, ethyl...

    Code of Federal Regulations, 2010 CFR

    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...

  14. 21 CFR 522.533 - Deslorelin acetate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Deslorelin acetate. (a) Specifications. Each implant contains 2.1 milligrams deslorelin acetate. (b) Sponsor.... One implant per mare. (ii) Indications for use. For inducing ovulation within 48 hours in...

  15. Carbon-isotopic analysis of dissolved acetate

    NASA Technical Reports Server (NTRS)

    Gelwicks, J. T.; Hayes, J. M.

    1990-01-01

    Heating of dried, acetate-containing solids together with oxalic acid dihydrate conveniently releases acetic acid for purification by gas chromatography. For determination of the carbon-isotopic composition of total acetate, the acetate-containing zone of the chromatographic effluent can be routed directly to a combustion furnace coupled to a vacuum system allowing recovery, purification, and packaging of CO2 for mass-spectrometric analysis. For analysis of methyl carbon, acetic acid can be cryogenically trapped from the chromatographic effluent, then transferred to a tube containing excess NaOH. The tube is evacuated, sealed, and heated to 500 degrees C to produce methane by pyrolysis of sodium acetate. Subsequent combustion of the methane allows determination of the 13C content at the methyl position in the parent acetate. With typical blanks, the standard deviation of single analyses is less than 0.4% for acetate samples larger than 5 micromoles. A full treatment of uncertainties is outlined.

  16. Ozone decomposition in aqueous acetate solutions

    SciTech Connect

    Sehested, K.; Holcman, J.; Bjergbakke, E.; Hart, E.J.

    1987-01-01

    The acetate radical ion reacts with ozone with a rate constant of k = (1.5 +/- 0.5) x 10Z dmT mol s . The products from this reaction are CO2, HCHO, and O2 . By subsequent reaction of the peroxy radical with ozone the acetate radical ion is regenerated through the OH radical. A chain decomposition of ozone takes place. It terminates when the acetate radical ion reacts with oxygen forming the unreactive peroxy acetate radical. The chain is rather short as oxygen is developed, as a result of the ozone consumption. The inhibiting effect of acetate on the ozone decay is rationalized by OH scavenging by acetate and successive reaction of the acetate radical ion with oxygen. Some products from the bimolecular disappearance of the peroxy acetate radicals, however, react further with ozone, reducing the effectiveness of the stabilization.

  17. Methyl Acetate and Its Singly Deuterated Isotopomers in the Interstellar Medium

    NASA Astrophysics Data System (ADS)

    Das, Ankan; Majumdar, Liton; Sahu, Dipen; Gorai, Prasanta; Sivaraman, B.; Chakrabarti, Sandip K.

    2015-07-01

    Methyl acetate ({{CH}}3{{COOCH}}3) has been recently observed by the 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}}3{{COOCH}}3, {{CH}}2{{DCOOCH}}3, and {{CH}}3{{COOCH}}2{{D}}. Our simulation reveals that these species could be produced efficiently in both gas and ice phases. Production of methyl acetate could follow radical-radical reaction between acetyl ({{CH}}3{CO}) and methoxy ({{CH}}3{{O}}) radicals. To predict abundances of {{CH}}3{{COOCH}}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 the chemical evolution of these molecules. Since gas-phase rate coefficients for methyl acetate and its related species are unknown, either we consider similar rate coefficients for similar types of reactions (by following existing databases) 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 obtain spectral properties of methyl acetate in infrared and sub-millimeter regions. We prepare two catalog files for the rotational transitions of {{CH}}2{{DCOOCH}}3 and {{CH}}3{{COOCH}}2{{D}} in JPL format, which could be useful for their detection in regions of interstellar media where {{CH}}3{{COOCH}}3 has already been observed.

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

    PubMed

    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. PMID:23969233

  19. 21 CFR 184.1721 - Sodium acetate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Sodium acetate. 184.1721 Section 184.1721 Food and....1721 Sodium acetate. (a) Sodium acetate (C2H3O2Na, CAS Reg. No. 127-09-3 or C2H3O2Na·3H2O, CAS Reg. No. 6131-90-4) is the sodium salt of acetic acid and occurs naturally in plant and animal tissues....

  20. An Analysis of the Rotational Spectrum of Acetonitrile (CH_3CN) in Excited Vibrational States

    NASA Astrophysics Data System (ADS)

    Neese, Christopher F.; McMillan, James; Fortman, Sarah; De Lucia, Frank C.

    2014-06-01

    Acetonitrile (CH_3CN) is a well-known interstellar molecule whose vibrationally excited states need to be accounted for in searches for new molecules in the interstellar medium. To help catalog such `weed' molecules, we have developed a technique that involves recording complete spectra over a range of astrophysically significant temperatures. With such a data set, we can experimentally measure the line strengths and lower state energies of unassigned lines in the spectrum. In this talk we will present the ongoing analysis of complete temperature resolved spectra in the 215-265 GHz and 570-650 GHz regions. We have been able to assign many vibrationally hot lines from this data and a room temperature data set spanning 165-700 GHz. To date, we have assigned lines from most of the vibrational states below ν_6 at 1448 wn.

  1. Photon emission via surface state at the gold/acetonitrile solution interface

    SciTech Connect

    Uosaki, Kohei; Murakoshi, Kei; Kita, Hideaki )

    1991-01-24

    The emission of light caused by an electron-transfer reaction at a gold electrode in acetonitrile solution containing one of three redox species (benzophenone, trans-stilbene, and benzonitrile) with different redox potentials was studied. The high-energy threshold of the spectrum decreases linearly as the potential of the gold electrode becomes more negative. The peak position with respect to the high-energy threshold of the spectrum varies with electrode potential and is not affected by the redox potential of the electron injection species at the same electrode potential. The emission efficiency also depends on the potential. From these results, the authors proposed that the emission is due to a charge-transfer reaction inverse photoemission (CTRIP) process that takes place via a surface state.

  2. Electrolyte Solvation and Ionic Association. VI. Acetonitrile-Lithium Salt Mixtures. Highly Associated Salts Revisited

    SciTech Connect

    Borodin, Oleg; Han, Sang D.; Daubert, James S.; Seo, D. M.; Yun, Sung-Hyun; Henderson, Wesley A.

    2015-01-14

    Molecular dynamics (MD) simulations of acetonitrile (AN) mixtures with LiBF4, LiCF3SO3 and LiCF3CO2 provide extensive details about the molecular- and mesoscale-level solution interactions and thus explanations as to why these electrolytes have very different thermal phase behavior and electrochemical/physicochemical properties. The simulation results are in full accord with a previous experimental study of these (AN)n-LiX electrolytes. This computational study reveals how the structure of the anions strongly influences the ionic association tendency of the ions, the manner in which the aggregate solvates assemble in solution and the length of time in which the anions remain coordinated to the Li+ cations in the solvates which result in dramatic variations in the transport properties of the electrolytes.

  3. The response of Paracoccus sp. SKG to acetonitrile-induced oxidative stress.

    PubMed

    Kirankumar, B; Guruprasad, B Kulkarni; Santoshkumar, M; Anand, S Nayak; Karegoudar, T B

    2013-11-01

    Organic solvents enhance intracellular oxidative stress and induce various physiological responses in bacteria. The study shows the morphological changes in Paracoccus sp. SKG when exposed to higher concentrations of acetonitrile, which alter the composition of the membrane fatty acid that accompanies the increase in K(+) efflux. This enhances the oxidative stress with greater activities of catalase and super oxide dismutase (SOD). The increased oxidative stress results in the generation of free radicals, which was confirmed by electron paramagnetic resonance (EPR) studies. The free radical scavenging activities were measured by ABTS and DPPH to understand the non-enzymatic defensive system during oxidative stress. The studies demonstrate the increase in free radicals in association with enzymatic and non-enzymatic defense systems under solvent stress. PMID:24092001

  4. Standard Reduction Potentials for Oxygen and Carbon Dioxide Couples in Acetonitrile and N,N-Dimethylformamide

    SciTech Connect

    Pegis, Michael L.; Roberts, John A.; Wasylenko, Derek J.; Mader, Elizabeth A.; Appel, Aaron M.; Mayer, James M.

    2015-12-21

    A variety of energy processes utilize the electrochemical interconversions of dioxygen and water, the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER). Reported here are the first estimates of the equilibrium reduction potential of the O2 + 4e– + 4H+ 2H2O couple in organic solvents. The values are +1.21 V in acetonitrile (MeCN) and +0.60 V in dimethylformamide (DMF), each versus the ferrocenium/ferrocene couple (Fc+/0) in the respective solvent (as are all the potentials reported here). The potentials have been determined using a thermochemical cycle that combines the free energy for transferring water from aqueous solution to organic solvent, -0.43 kcal mol-1 for MeCN and -1.47 kcal mol-1 for DMF, and the potential of the H+/H2 couple, –0.028 V in MeCN and –0.662 V in DMF. The H+/H2 couple in DMF has been directly measured electrochemically, using the previously reported procedure for the MeCN value. The thermochemical approach used for the O2/H2O couple can also be extended to the CO2/CO and CO2/CH4 couples to give values of -0.12 V and +0.15 V in MeCN, and -0.73 V and -0.48 V in DMF. Extensions to other reduction potentials are discussed. Additionally, the free energy for transfer of protons from water to organic solvent is roughly estimated as +14 kcal mol-1 for acetonitrile and +0.6 kcal mol-1 for dimethylformamide. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  5. Standard Reduction Potentials for Oxygen and Carbon Dioxide Couples in Acetonitrile and N,N-Dimethylformamide.

    PubMed

    Pegis, Michael L; Roberts, John A S; Wasylenko, Derek J; Mader, Elizabeth A; Appel, Aaron M; Mayer, James M

    2015-12-21

    A variety of next-generation energy processes utilize the electrochemical interconversions of dioxygen and water as the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER). Reported here are the first estimates of the standard reduction potential of the O2 + 4e(-) + 4H(+) ⇋ 2H2O couple in organic solvents. The values are +1.21 V in acetonitrile (MeCN) and +0.60 V in N,N-dimethylformamide (DMF), each versus the ferrocenium/ferrocene couple (Fc(+/0)) in the respective solvent (as are all of the potentials reported here). The potentials have been determined using a thermochemical cycle that combines the free energy for transferring water from aqueous solution to organic solvent, -0.43 kcal mol(-1) for MeCN and -1.47 kcal mol(-1) for DMF, and the potential of the H(+)/H2 couple, - 0.028 V in MeCN and -0.662 V in DMF. The H(+)/H2 couple in DMF has been directly measured electrochemically using the previously reported procedure for the MeCN value. The thermochemical approach used for the O2/H2O couple has been extended to the CO2/CO and CO2/CH4 couples to give values of -0.12 and +0.15 V in MeCN and -0.73 and -0.48 V in DMF, respectively. Extensions to other reduction potentials are discussed. Additionally, the free energy for transfer of protons from water to organic solvent is estimated as +14 kcal mol(-1) for acetonitrile and +0.6 kcal mol(-1) for DMF. PMID:26640971

  6. New method for the photo-chemiluminometric determination of benzoylurea insecticides based on acetonitrile chemiluminescence.

    PubMed

    Gil García, M D; Martínez Galera, M; Santiago Valverde, R

    2007-03-01

    The viability of tandem photochemical reaction-chemiluminescence detection has been studied for the determination of five benzoylurea insecticides, namely, diflubenzuron, triflumuron, hexaflumuron, lufenuron and flufenoxuron. The 'on-line' photochemical reaction of benzoylurea pesticides provides an enhanced chemiluminescence response of the pesticides during their oxidation by potassium hexacyanoferrate(III) and sodium hydroxide, whose signal increases with the percentage of acetonitrile in the reaction medium. The determination was performed using a photoreactor consisting of a PFA (perfluoroalkoxy) tube reactor coil (5 mx1.6-mm O.D. and 0.8-mm I.D.) and an 8-W xenon lamp. As the yield of the photoderivatization process and the chemiluminescent signals depend on the percentage of acetonitrile, the chromatographic column (a Gemini C18, Phenomenex 150 mmx4.6 mm, 5-microm particle size) was chosen with the aim of using high percentages of this organic solvent in the mobile phase. Previous studies showed that the rate of the chemiluminescent reaction was very fast. Therefore, a modification was carried out in the detector in order to mix the analytes and reactants as near as possible to the measure cell. The optimised method was validated with respect to linearity, precision, limits of detection and quantification accuracy. Under the optimised conditions, linear working range extends three orders of magnitude with the relative standard deviation of intra-day precision below 10% and detection limits between 0.012 and 0.18 microg mL-1, according to the compound. The proposed method has been successfully applied to the determination of benzoylureas in cucumber with good results. PMID:17205265

  7. Kinetics of the Methanogenic Fermentation of Acetate

    PubMed Central

    Fukuzaki, Satoshi; Nishio, Naomichi; Nagai, Shiro

    1990-01-01

    Inhibition of the fermentation of acetate to methane and carbon dioxide by acetate was analyzed with an acetate-acclimatized sludge and with Methanosarcina barkeri Fusaro under mesophilic conditions. A second-order substrate inhibition model, qch4 = qmS/[Ks + S + (S2/Ki)], where S was the concentration of undissociated acetic acid, not ionized acetic acid, could be applicable in both cases. The analysis resulted in substrate saturation constants, Ks, of 4.0 μM for the acclimatized sludge and 104 μM for M. barkeri. The threshold concentrations of undissociated acetic acid when no further acetate utilization was observed were 0.078 μM (pH 7.50) for the acclimatized sludge and 4.43 μM (pH 7.45) for M. barkeri. These kinetic results suggested that the concentration of undissociated acetic acid became a key factor governing the actual threshold acetate concentration for acetate utilization and that the acclimatized sludge in which Methanothrix spp. appeared dominant could utilize acetate better and survive at a lower concentration of undissociated acetic acid than could M. barkeri. Images PMID:16348323

  8. 21 CFR 522.2476 - Trenbolone acetate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... days. (A) 140 milligrams (mg) trenbolone acetate (one implant consisting of 7 pellets, each pellet containing 20 mg trenbolone acetate) per implant dose. (B) 140 mg trenbolone acetate (one implant consisting... 29 mg tylosin tartrate) per implant dose. (ii) Indications for use. For improved feed...

  9. 21 CFR 522.2476 - Trenbolone acetate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... days. (A) 140 milligrams (mg) trenbolone acetate (one implant consisting of 7 pellets, each pellet containing 20 mg trenbolone acetate) per implant dose. (B) 140 mg trenbolone acetate (one implant consisting... 29 mg tylosin tartrate) per implant dose. (ii) Indications for use. For improved feed...

  10. 21 CFR 522.2476 - Trenbolone acetate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... days. (A) 140 milligrams (mg) trenbolone acetate (one implant consisting of 7 pellets, each pellet containing 20 mg trenbolone acetate) per implant dose. (B) 140 mg trenbolone acetate (one implant consisting... 29 mg tylosin tartrate) per implant dose. (ii) Indications for use. For improved feed...

  11. 21 CFR 522.2476 - Trenbolone acetate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... days. (A) 140 milligrams (mg) trenbolone acetate (one implant consisting of 7 pellets, each pellet containing 20 mg trenbolone acetate) per implant dose. (B) 140 mg trenbolone acetate (one implant consisting... 29 mg tylosin tartrate) per implant dose. (ii) Indications for use. For improved feed...

  12. 21 CFR 582.6185 - Calcium acetate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Calcium acetate. 582.6185 Section 582.6185 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Calcium acetate. (a) Product. Calcium acetate. (b) Conditions of use. This substance is...

  13. 21 CFR 582.1005 - Acetic acid.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Acetic acid. 582.1005 Section 582.1005 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1005 Acetic acid. (a) Product. Acetic acid. (b) Conditions of use. This substance is...

  14. 21 CFR 184.1005 - Acetic acid.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Acetic acid. 184.1005 Section 184.1005 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DIRECT FOOD....1005 Acetic acid. (a) Acetic acid (C2H4O2, CAS Reg. No. 64-19-7) is known as ethanoic acid. It...

  15. 21 CFR 582.1005 - Acetic acid.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Acetic acid. 582.1005 Section 582.1005 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1005 Acetic acid. (a) Product. Acetic acid. (b) Conditions of use. This substance is...

  16. 21 CFR 582.1005 - Acetic acid.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Acetic acid. 582.1005 Section 582.1005 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1005 Acetic acid. (a) Product. Acetic acid. (b) Conditions of use. This substance is...

  17. 21 CFR 582.1005 - Acetic acid.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Acetic acid. 582.1005 Section 582.1005 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1005 Acetic acid. (a) Product. Acetic acid. (b) Conditions of use. This substance is...

  18. 21 CFR 582.1005 - Acetic acid.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Acetic acid. 582.1005 Section 582.1005 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1005 Acetic acid. (a) Product. Acetic acid. (b) Conditions of use. This substance is...

  19. 21 CFR 582.1721 - Sodium acetate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Sodium acetate. 582.1721 Section 582.1721 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1721 Sodium acetate. (a) Product. Sodium acetate. (b) Conditions of use. This substance is...

  20. 21 CFR 582.1721 - Sodium acetate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Sodium acetate. 582.1721 Section 582.1721 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1721 Sodium acetate. (a) Product. Sodium acetate. (b) Conditions of use. This substance is...

  1. 21 CFR 582.1721 - Sodium acetate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Sodium acetate. 582.1721 Section 582.1721 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1721 Sodium acetate. (a) Product. Sodium acetate. (b) Conditions of use. This substance is...

  2. 21 CFR 582.1721 - Sodium acetate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Sodium acetate. 582.1721 Section 582.1721 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1721 Sodium acetate. (a) Product. Sodium acetate. (b) Conditions of use. This substance is...

  3. 21 CFR 582.1721 - Sodium acetate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Sodium acetate. 582.1721 Section 582.1721 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS....1721 Sodium acetate. (a) Product. Sodium acetate. (b) Conditions of use. This substance is...

  4. Acet-oxy-γ-valerolactone.

    PubMed

    Tristram, Cameron; Gainsford, Graeme J; Hinkley, Simon

    2013-06-01

    Levulinyl cellulose esters have been produced as an effective renewable binder for architectural coatings. The title compound, C7H10O4 (systematic name: 2-methyl-5-oxo-tetra-hydro-furan-2-yl acetate), assigned as the esterifying species, was isolated and crystallized to confirm the structure. In the crystal, the mol-ecules pack in layers parallel to (102) utilizing weak C-H⋯O inter-actions. PMID:23795112

  5. A kinetic study on the bioremediation of sodium cyanide and acetonitrile by free and immobilized cells of pseudomonas putida

    SciTech Connect

    Chapatwala, K.D.; Babu, G.R.V.; Armstead, E.R.

    1995-12-31

    Pseudomonas putida capable of utilizing organic nitrile (acetonitrile) and inorganic cyanide (sodium cyanide) as the sole source of carbon and nitrogen was isolated from contaminated industrial sites and waste water. The bacterium possesses nitrile aminohydrolase (EC 3.5.5.1) and amidase (EC 3.5.1.4), which are involved in the transformation of cyanides and nitrites into ammonia and CO{sub 2} through the formation of amide as an intermediate. Both of the enzymes have a high selectivity and affinity toward the {sup -}CN group. The rate of degradation of acetonitrile and sodium cyanide to ammonia and CO{sub 2} by the calcium-alginate immobilized cells of P. putida was studied. The rate of reaction during the biodegradation of acetonitrile and sodium cyanide, and the substrate- and product-dependent kinetics of these toxic compounds were studied using free and immobilized cells of P. putida and modeled using a simple Michaelis-Menten equation.

  6. Pulmonary and percutaneous absorption of 2-propoxyethyl acetate and 2-ethoxyethyl acetate in beagle dogs

    SciTech Connect

    Guest, D.; Hamilton, M.L.; Deisinger, P.J.; DiVincenzo, G.D.

    1984-08-01

    A comparison was made of the absorption and elimination rates of 2-propoxyethyl acetate (PEA) and 2-ethoxyethyl acetate (EEA) following inhalation, dermal application of IV administration. Male beagle dogs were exposed to 50 ppm PEA or EEA for 5 hr, and breath samples were collected during the exposure and a 3-hr recovery period. Both compounds were rapidly absorbed through the lungs. After 10 min of exposure, the concentrations of the parent compounds in the expired breath were 5 to 10 ppm (80-90% absorption) and reached plateau values at about 3 hr of 13 ppm for PEA (74% absorption) and 16 ppm for EEA (68% absorption). Post-exposure breath samples declined exponentially to 0.5 ppm and 2 ppm after 3 hr for PEA and EEA, respectively. Expired concentrations of PEA were slightly, but significantly (p < 0.025), lower than those of EEA at corresponding times during the exposure. After IV dosing with 1 mg/kg (ethyl-1,2-/sup 14/C)PEA, the urine contained 61% and 88% of the dose in 4 and 24 hr, respectively. (/sup 14/C)EEA was eliminated more slowly, with 20% and 61% of the dose appearing in the urine in 4 and 24 hr, respectively. Blood elimination half-lives were 1.6 hr for (/sup 14/C)PEA and 7.9 hr for (/sup 14/C)EEA. Only trace amounts of /sup 14/CO/sub 2/ (<1%) or volatile materials (<0.1%) were detected in the expired air with either compound. For studies of percutaneous absorption, (/sup 14/C)PEA or (/sup 14/C)EEA was added to undiluted compounds and applied in a glass cell to a shaved area on a dog's thorax for 30 or 60 min. Blood and expired air were collected for 8 hr and urine for 24 hr. The pattern of urinary elimination for each compound was similar to that seen after IV dosing with (/sup 14/C)PEA being excreted more rapidly than (/sup 14/C)EEA. 15 references, 4 figures, 4 tables.

  7. Probing the environmental stability and bake latitudes of acetal vs. ketal protected polyvinylphenol DUV resist systems

    NASA Astrophysics Data System (ADS)

    Kumar, Uday; Pandya, Ashish; Sinta, Roger F.; Huang, Wu-Song; Bantu, Rao; Katnani, Ahmad D.

    1997-07-01

    family, we have evaluated a few protecting groups which include ethoxy ethyl, propyloxy ethyl and isobutyloxy ethyl. Since ethoxy ethyl had better polymer properties than other acetal groups, most lithographic work was done on this protecting group in comparison to ketal groups. The experimental findings suggest that the environmental stability in the acetal system is inferior to the ketal system. Since the reaction is completed during exposure, ketal system is completely insensitive to the bake temperature. Acetal system can have large bake latitudes (PAB & PEB) only if the resist formulation contains large amount of basic additive, e.g. ethoxy ethyl protected polyvinylphenol resist with significant amount of basic additive gives only 3 - 4% change in Eo when PEB temperature changes from 90 to 130 degrees Celsius (PAB 120 degrees Celsius), and 4 - 5% change when PAB temperature changes from 100 to 120 degrees Celsius (PEB 110 degrees Celsius).

  8. Rapid syntheses of dehydrodiferulates via biomimetic radical coupling reactions of ethyl ferulate.

    PubMed

    Lu, Fachuang; Wei, Liping; Azarpira, Ali; Ralph, John

    2012-08-29

    Dehydrodimerization of ferulates in grass cell walls provides a pathway toward cross-linking polysaccharide chains limiting the digestibility of carbohydrates by ruminant bacteria and in general affecting the utilization of grass as a renewable bioresource. Analysis of dehydrodiferulates (henceforth termed diferulates) in plant cell walls is useful in the evaluation of the quality of dairy forages as animal feeds. Therefore, there has been considerable demand for quantities of diferulates as standards for such analyses. Described here are syntheses of diferulates from ethyl ferulate via biomimetic radical coupling reactions using the copper(II)-tetramethylethylenediamine [CuCl(OH)-TMEDA] complex as oxidant or catalyst. Although CuCl(OH)-TMEDA oxidation of ethyl ferulate in acetonitrile produced mixtures composed of 8-O-4-, 8-5-, 8-8- (cyclic and noncyclic), and 5-5-coupled diferulates, a catalyzed oxidation using CuCl(OH)-TMEDA as catalyst and oxygen as an oxidant resulted in better overall yields of such diferulates. Flash chromatographic fractionation allowed isolation of 8-8- and 5-5-coupled diferulates. 8-5-Diferulate coeluted with 8-O-4-diferulate but was separated from it via crystallization; the 8-O-4 diferulate left in the mother solution was isolated by rechromatography following a simple tetrabutylammonium fluoride treatment that converted 8-5-diferulate to another useful diferulate, 8-5-(noncyclic) diferulate. Therefore, six of the nine (5-5, 8-O-4, 8-5-c, 8-5-nc, 8-5-dc, 8-8-c, 8-8-nc, 8-8-THF, 4-O-5) diferulic acids that have to date been found in the alkaline hydrolysates of plant cell walls can be readily synthesized by the CuCl(OH)-TMEDA catalyzed aerobic oxidative coupling reaction and subsequent saponification described here. PMID:22846085

  9. Novel 2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl)acetic acids: discovery and hit-to-lead evolution of a selective CRTh2 receptor antagonist chemotype.

    PubMed

    Pothier, Julien; Riederer, Markus A; Peter, Oliver; Leroy, Xavier; Valdenaire, Anja; Gnerre, Carmela; Fretz, Heinz

    2012-07-15

    Hit-to-lead evolution of 2-(2-((2-(4-chlorophenoxy)ethyl)thio)-1H-benzo[d]imidazol-1-yl)acetic acid (1), discovered in a high-throughput screening campaign as a novel chemotype of CRTh2 receptor antagonist, is presented. SAR development as well as in vitro and in vivo DMPK properties of selected representatives of substituted 2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl)acetic acids are discussed. PMID:22726929

  10. Optimization of ethyl ester production assisted by ultrasonic irradiation.

    PubMed

    Noipin, K; Kumar, S

    2015-01-01

    This study presents the optimization of the continuous flow potassium hydroxide-catalyzed synthesis of ethyl ester from palm oil with ultrasonic assistance. The process was optimized by application of factorial design and response surface methodology. The independent variables considered were ethanol to oil molar ratio, catalyst concentration, reaction temperature and ultrasonic amplitude; and the response was ethyl ester yield. The results show that ethanol to oil molar ratio, catalyst concentration, and ultrasonic amplitude have positive effect on ethyl ester yield, whereas reaction temperature has negative influence on ethyl ester yield. Second-order models were developed to predict the responses analyzed as a function of these three variables, and the developed models predicts the results in the experimental ranges studied adequately. This study shows that ultrasonic irradiation improved the ethyl ester production process to achieve ethyl ester yields above 92%. PMID:25116594

  11. Decay dynamics of nascent acetonitrile and nitromethane dipole-bound anions produced by intracluster charge-transfer

    SciTech Connect

    Yandell, Margaret A.; King, Sarah B.; Neumark, Daniel M.

    2014-05-14

    Decay dynamics of nascent dipole bound states of acetonitrile and nitromethane are examined using time-resolved photoelectron imaging of iodide-acetonitrile (I{sup −}·CH{sub 3}CN) and iodide-nitromethane (I{sup −}·CH{sub 3}NO{sub 2}) complexes. Dipole-bound anions are created by UV-initiated electron transfer to the molecule of interest from the associated iodide ion at energies just below the vertical detachment energy of the halide-molecule complex. The acetonitrile anion is observed to decay biexponentially with time constants in the range of 4–900 ps. In contrast, the dipole bound state of nitromethane decays rapidly over 400 fs to form the valence bound anion. The nitromethane valence anion species then decays biexponentially with time constants of 2 ps and 1200 ps. The biexponential decay dynamics in acetonitrile are interpreted as iodine atom loss and autodetachment from the excited dipole-bound anion, followed by slower autodetachment of the relaxed metastable ion, while the dynamics of the nitromethane system suggest that a dipole-bound anion to valence anion transition proceeds via intramolecular vibrational energy redistribution to nitro group modes in the vicinity of the iodine atom.

  12. Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water–acetonitrile mixture

    SciTech Connect

    Kasai, Yukako; Yoshida, Norio Nakano, Haruyuki

    2015-05-28

    The co-solvent effect on the proton transfer reaction of glycine in a water–acetonitrile mixture was examined using the reference interaction-site model self-consistent field theory. The free energy profiles of the proton transfer reaction of glycine between the carboxyl oxygen and amino nitrogen were computed in a water–acetonitrile mixture solvent at various molar fractions. Two types of reactions, the intramolecular proton transfer and water-mediated proton transfer, were considered. In both types of the reactions, a similar tendency was observed. In the pure water solvent, the zwitterionic form, where the carboxyl oxygen is deprotonated while the amino nitrogen is protonated, is more stable than the neutral form. The reaction free energy is −10.6 kcal mol{sup −1}. On the other hand, in the pure acetonitrile solvent, glycine takes only the neutral form. The reaction free energy from the neutral to zwitterionic form gradually increases with increasing acetonitrile concentration, and in an equally mixed solvent, the zwitterionic and neutral forms are almost isoenergetic, with a difference of only 0.3 kcal mol{sup −1}. The free energy component analysis based on the thermodynamic cycle of the reaction also revealed that the free energy change of the neutral form is insensitive to the change of solvent environment but the zwitterionic form shows drastic changes. In particular, the excess chemical potential, one of the components of the solvation free energy, is dominant and contributes to the stabilization of the zwitterionic form.

  13. Effect of the physicochemical parameters of benzimidazole molecules on their retention by a nonpolar sorbent from an aqueous acetonitrile solution

    NASA Astrophysics Data System (ADS)

    Shafigulin, R. V.; Safonova, I. A.; Bulanova, A. V.

    2015-09-01

    The effect of the structure of benzimidazoles on their chromatographic retention on octadecyl silica gel from an aqueous acetonitrile eluent was studied. One- and many-parameter correlation equations were obtained by linear regression analysis, and their prognostic potential in determining the retention factors of benzimidazoles under study was analyzed.

  14. Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water-acetonitrile mixture

    NASA Astrophysics Data System (ADS)

    Kasai, Yukako; Yoshida, Norio; Nakano, Haruyuki

    2015-05-01

    The co-solvent effect on the proton transfer reaction of glycine in a water-acetonitrile mixture was examined using the reference interaction-site model self-consistent field theory. The free energy profiles of the proton transfer reaction of glycine between the carboxyl oxygen and amino nitrogen were computed in a water-acetonitrile mixture solvent at various molar fractions. Two types of reactions, the intramolecular proton transfer and water-mediated proton transfer, were considered. In both types of the reactions, a similar tendency was observed. In the pure water solvent, the zwitterionic form, where the carboxyl oxygen is deprotonated while the amino nitrogen is protonated, is more stable than the neutral form. The reaction free energy is -10.6 kcal mol-1. On the other hand, in the pure acetonitrile solvent, glycine takes only the neutral form. The reaction free energy from the neutral to zwitterionic form gradually increases with increasing acetonitrile concentration, and in an equally mixed solvent, the zwitterionic and neutral forms are almost isoenergetic, with a difference of only 0.3 kcal mol-1. The free energy component analysis based on the thermodynamic cycle of the reaction also revealed that the free energy change of the neutral form is insensitive to the change of solvent environment but the zwitterionic form shows drastic changes. In particular, the excess chemical potential, one of the components of the solvation free energy, is dominant and contributes to the stabilization of the zwitterionic form.

  15. Determination of vanillin, ethyl vanillin, and coumarin in infant formula by liquid chromatography-quadrupole linear ion trap mass spectrometry.

    PubMed

    Shen, Yan; Han, Chao; Liu, Bin; Lin, Zhengfeng; Zhou, Xiujin; Wang, Chengjun; Zhu, Zhenou

    2014-02-01

    A simple, precise, accurate, and validated liquid chromatography-quadrupole linear ion trap mass spectrometry method was developed for the determination of vanillin, ethyl vanillin, and coumarin in infant formula samples. Following ultrasonic extraction with methanol/water (1:1, vol/vol), and clean-up on an HLB solid-phase extraction cartridge (Waters Corp., Milford, MA), samples were separated on a Waters XSelect HSS T3 column (150 × 2.1-mm i.d., 5-μm film thickness; Waters Corp.), with 0.1% formic acid solution-acetonitrile as mobile phase at a flow rate of 0.25 mL/min. Quantification of the target was performed by the internal standard approach, using isotopically labeled compounds for each chemical group, to correct matrix effects. Data acquisition was carried out in multiple reaction monitoring transitions mode, monitoring 2 multiple reaction monitoring transitions to ensure an accurate identification of target compounds in the samples. Additional identification and confirmation of target compounds were performed using the enhanced product ion modus of the linear ion trap. The novel liquid chromatography-quadrupole linear ion trap mass spectrometry platform offers the best sensitivity and specificity for characterization and quantitative determination of vanillin, ethyl vanillin, and coumarin in infant formula and fulfills the quality criteria for routine laboratory application. PMID:24359823

  16. Testing for ethanol markers in hair: discrepancies after simultaneous quantification of ethyl glucuronide and fatty acid ethyl esters.

    PubMed

    Kintz, P; Nicholson, D

    2014-10-01

    The hair of 97 cases were analysed for ethyl glucuronide (EtG) and fatty acid ethyl esters (FAEE, including ethyl myristate, ethyl palmitate, ethyl oleate and ethyl stearate) according to the Society of Hair Testing guidelines to examine the role of both tests in documenting chronic excessive alcohol drinking, particularly when the results are in contradiction. 27 (27.8%) results were EtG negative and FAEE positive, when applying the SoHT cut-offs, probably due to the use of alcohol-containing hair products. Four cases (4.1%) were EtG positive and FAEE negative that were attributed to the use of herbal lotions containing EtG. PMID:24794020

  17. A novel liquid/liquid extraction process composed of surfactant and acetonitrile for purification of polygalacturonase enzyme from Durio zibethinus.

    PubMed

    Amid, Mehrnoush; Manap, Yazid; Azmira, Farhana; Hussin, Muhaini; Sarker, Zaidul Islam

    2015-07-01

    Polygalacturonase is one of the important enzymes used in various industries such as food, detergent, pharmaceutical, textile, pulp and paper. A novel liquid/liquid extraction process composed of surfactant and acetonitrile was employed for the first time to purify polygalacturonase from Durio zibethinus. The influences of different parameters such as type and concentration of surfactants, concentrations of acetonitrile and composition of surfactant/acetonitrile on partitioning behavior and recovery of polygalacturonase was investigated. Moreover, the effect of pH of system and crude load on purification fold and yield of purified polygalacturonase were studied. The results of the experiment indicated the polygalacturonase was partitioned into surfactant top rich phase with impurities being partitioned into acetonitrile bottom rich phase in the novel method of liquid/liquid process composed of 23% (w/w) Triton X-100 and 19% (w/w) acetonitrile, at 55.6% of TLL (tie line length) crude load of 25% (w/w) at pH 6.0. Recovery and recycling of components also was measured in each successive step of liquid/liquid extraction process. The enzyme was successfully recovered by the method with a high purification factor of 14.3 and yield of 97.3% while phase components were also recovered and recycled above 95%. This study demonstrated that the novel method of liquid/liquid extraction process can be used as an efficient and economical extraction method rather than the traditional methods of extraction for the purification and recovery of the valuable enzyme. PMID:25973865

  18. Synthesis of New Functionalized Indoles Based on Ethyl Indol-2-carboxylate.

    PubMed

    Boraei, Ahmed T A; El Ashry, El Sayed H; Barakat, Assem; Ghabbour, Hazem A

    2016-01-01

    Successful alkylations of the nitrogen of ethyl indol-2-carboxylate were carried out using aq. KOH in acetone. The respective N-alkylated acids could be obtained without separating the N-alkylated esters by increasing the amount of KOH and water. The use of NaOMe in methanol led to transesterification instead of the alkylation, while the use of NaOEt led to low yields of the N-alkylated acids. Hydrazinolysis of the ester gave indol-2-carbohydrazide which then was allowed to react with different aromatic aldehydes and ketones in ethanol catalyzed by acetic acid. Indol-2-thiosemicarbazide was used in a heterocyclization reaction to form thiazoles. The new structures were confirmed using NMR, mass spectrometry and X-ray single crystal analysis. PMID:26978331

  19. Oxidized cellulose esters: I. Preparation and characterization of oxidized cellulose acetates--a new class of biodegradable polymers.

    PubMed

    Kumar, V; Yang, D

    2002-01-01

    Oxidized cellulose acetates (OCA), with a degree of substitution (DS) value ranging between 1.1 and 2.3 and a free carboxylic acid group content of 20% (w/w), have been prepared by reacting oxidized cellulose (OC, COOH content 20% w/w) with a mixture of acetic acid and acetic anhydride in the presence of sulfuric acid as a catalyst. The DS of OCA, in general, increased with increasing reaction temperature, reaction time, and concentration of acetic anhydride in the reaction mixture. The yield of OCA, in contrast, increased with increasing concentration of acetic anhydride and decreased with increasing reaction time and temperature. The intrinsic viscosity of OCA varied between 0.100 and 0.275, depending on the reaction conditions used during its preparation. In general, an increase in reaction temperature and the use of a prolonged reaction time decreased the intrinsic viscosity of OCA. No correlation was found between DS and intrinsic viscosity of OCA. The apparent pKa of OCA is 3.7-3.9. The new OCA polymers are practically insoluble in water and slowly dissolve in pH 7.4 phosphate buffer solution. They are, however, soluble in a range of organic solvents (e.g. ethyl acetate, acetone, acetone/water, chloroform/methylene chloride, dimethylsulfoxide, dimethylformamide, and/or chloroform/methanol). PMID:12102594

  20. Polymerization of Acetonitrile via a Hydrogen Transfer Reaction from CH3 to CN under Extreme Conditions

    DOE PAGESBeta

    Zheng, Haiyan; Li, Kuo; Cody, George D.; Tulk, Christopher A.; Dong, Xiao; Gao, Guoying; Molaison, Jamie J.; Liu, Zhenxian; Feygenson, Mikhail; Yang, Wenge; et al

    2016-08-25

    Acetonitrile (CH3CN) is the simplest and one of the most stable nitriles. Reactions usually occur on the C≡N triple bond, while the C-H bond is very inert and can only be activated by a very strong base or a metal catalyst. In this study, it is demonstrated that C-H bonds can be activated by the cyano group under high pressure, but at room temperature. The hydrogen atom transfers from the CH3 to CN along the CH···N hydrogen bond, which produces an amino group and initiates polymerization to form a dimer, 1D chain, and 2D nanoribbon with mixed sp2 and sp3more » bonded carbon. Lastly, it transforms into a graphitic polymer by eliminating ammonia. This study shows that applying pressure can induce a distinctive reaction which is guided by the structure of the molecular crystal. It highlights the fact that very inert C-H can be activated by high pressure, even at room temperature and without a catalyst.« less

  1. Polymerization of Acetonitrile via a Hydrogen Transfer Reaction from CH3 to CN under Extreme Conditions.

    PubMed

    Zheng, Haiyan; Li, Kuo; Cody, George D; Tulk, Christopher A; Dong, Xiao; Gao, Guoying; Molaison, Jamie J; Liu, Zhenxian; Feygenson, Mikhail; Yang, Wenge; Ivanov, Ilia N; Basile, Leonardo; Idrobo, Juan-Carlos; Guthrie, Malcolm; Mao, Ho-Kwang

    2016-09-19

    Acetonitrile (CH3 CN) is the simplest and one of the most stable nitriles. Reactions usually occur on the C≡N triple bond, while the C-H bond is very inert and can only be activated by a very strong base or a metal catalyst. It is demonstrated that C-H bonds can be activated by the cyano group under high pressure, but at room temperature. The hydrogen atom transfers from the CH3 to CN along the CH⋅⋅⋅N hydrogen bond, which produces an amino group and initiates polymerization to form a dimer, 1D chain, and 2D nanoribbon with mixed sp(2) and sp(3) bonded carbon. Finally, it transforms into a graphitic polymer by eliminating ammonia. This study shows that applying pressure can induce a distinctive reaction which is guided by the structure of the molecular crystal. It highlights the fact that very inert C-H can be activated by high pressure, even at room temperature and without a catalyst. PMID:27561179

  2. Quantitative determination of aflatoxin B1 concentration in acetonitrile by chemometric methods using terahertz spectroscopy.

    PubMed

    Ge, Hongyi; Jiang, Yuying; Lian, Feiyu; Zhang, Yuan; Xia, Shanhong

    2016-10-15

    Aflatoxins contaminate and colonize agricultural products, such as grain, and thereby potentially cause human liver carcinoma. Detection via conventional methods has proven to be time-consuming and complex. In this paper, the terahertz (THz) spectra of aflatoxin B1 in acetonitrile solutions with concentration ranges of 1-50μg/ml and 1-50μg/l are obtained and analyzed for the frequency range of 0.4-1.6THz. Linear and nonlinear regression models are constructed to relate the absorption spectra and the concentrations of 160 samples using the partial least squares (PLS), principal component regression (PCR), support vector machine (SVM), and PCA-SVM methods. Our results indicate that PLS and PCR models are more accurate for the concentration range of 1-50μg/ml, whereas SVM and PCA-SVM are more accurate for the concentration range of 1-50μg/l. Furthermore, ten unknown concentration samples extracted from mildewed maize are analyzed quantitatively using these methods. PMID:27173565

  3. DFT simulation, quantum chemical electronic structure, spectroscopic and structure-activity investigations of 2-benzothiazole acetonitrile.

    PubMed

    Arjunan, V; Thillai Govindaraja, S; Jose, Sujin P; Mohan, S

    2014-07-15

    The Fourier transform infrared and FT-Raman spectra of 2-benzothiazole acetonitrile (BTAN) have been recorded in the range 4000-450 and 4000-100 cm(-1) respectively. The conformational analysis of the compound has been carried out to obtain the stable geometry of the compound. The complete vibrational assignment and analysis of the fundamental modes of the compound are carried out using the experimental FTIR and FT-Raman data and quantum chemical studies. The experimental vibrational frequencies are compared with the wavenumbers derived theoretically by B3LYP gradient calculations employing the standard 6-31G(**), high level 6-311++G(**) and cc-pVTZ basis sets. The structural parameters, thermodynamic properties and vibrational frequencies of the normal modes obtained from the B3LYP methods are in good agreement with the experimental data. The (1)H (400 MHz; CDCl3) and (13)C (100 MHz;CDCl3) nuclear magnetic resonance (NMR) spectra are also recorded. The electronic properties, the energies of the highest occupied and lowest unoccupied molecular orbitals are measured by DFT approach. The kinetic stability of the molecule has been determined from the frontier molecular orbital energy gap. The charges of the atoms and the structure-chemical reactivity relations of the compound are determined by its chemical potential, global hardness, global softness, electronegativity, electrophilicity and local reactivity descriptors by conceptual DFT methods. The non-linear optical properties of the compound have been discussed by measuring the polarisability and hyperpolarisability tensors. PMID:24662754

  4. Surprisingly Long-Lived Ascorbyl Radicals in Acetonitrile: Concerted Proton-Electron Transfer Reactions and Thermochemistry

    PubMed Central

    Warren, Jeffrey J.; Mayer, James M.

    2008-01-01

    Proton-coupled electron transfer (PCET) reactions and thermochemistry of 5,6-isopropylidene ascorbate (iAscH−) have been examined in acetonitrile solvent.iAscH− is oxidized by 2,4,6-tBu3C6H2O• and by excess TEMPO• to give the corresponding 5,6-isopropylidene ascorbyl radical anion (iAsc•−), which persists for hours at 298 K in dry MeCN solution. The stability of iAsc•− is surprising in light of the transience of the ascorbyl radical in aqueous solutions, and is due to the lack of the protons needed for radical disproportionation. A concerted proton-electron transfer (CPET) mechanism is indicated for the reactions of iAscH−. Redox potential, pKa and equilibrium measurements define the thermochemical landscape for 5,6-isopropylidene ascorbic acid and its derivatives in MeCN. These measurements give an O–H bond dissociation free energy (BDFE) for iAscH−of 65.4 ± 1.5 kcal mol−1 in MeCN. Similar studies on underivatized ascorbate indicate a BDFE of 67.8 ± 1.2 kcal mol−1. These values are much lower than the aqueous BDFE for ascorbate of 74.0 ± 1.5 kcal mol−1 derived from reported data. PMID:18505256

  5. Surprisingly long-lived ascorbyl radicals in acetonitrile: concerted proton-electron transfer reactions and thermochemistry.

    PubMed

    Warren, Jeffrey J; Mayer, James M

    2008-06-18

    Proton-coupled electron transfer (PCET) reactions and thermochemistry of 5,6-isopropylidene ascorbate (iAscH-) have been examined in acetonitrile solvent. iAscH- is oxidized by 2,4,6-tBu3C6H2O. and by excess TEMPO. to give the corresponding 5,6-isopropylidene ascorbyl radical anion (iAsc.-), which persists for hours at 298 K in dry MeCN solution. The stability of iAsc.- is surprising in light of the transience of the ascorbyl radical in aqueous solutions and is due to the lack of the protons needed for radical disproportionation. A concerted proton-electron transfer (CPET) mechanism is indicated for the reactions of iAscH-. Redox potential, pKa and equilibrium measurements define the thermochemical landscape for 5,6-isopropylidene ascorbic acid and its derivatives in MeCN. These measurements give an O-H bond dissociation free energy (BDFE) for iAscH- of 65.4 +/- 1.5 kcal mol-1 in MeCN. Similar studies on underivatized ascorbate indicate a BDFE of 67.8 +/- 1.2 kcal mol-1. These values are much lower than the aqueous BDFE for ascorbate of 74.0 +/- 1.5 kcal mol-1 derived from reported data. PMID:18505256

  6. Retention of ionisable compounds on high-performance liquid chromatography. XV. Estimation of the pH variation of aqueous buffers with the change of the acetonitrile fraction of the mobile phase.

    PubMed

    Subirats, Xavier; Bosch, Elisabeth; Rosés, Martí

    2004-12-01

    The most commonly used mobile phases in reversed-phase high-performance liquid chromatography (RP-HPLC) are hydro-organic mixtures of an aqueous buffer and an organic modifier. The addition of this organic solvent to buffered aqueous solutions involves a variation of the buffer properties (pH and buffer capacity). In this paper, the pH variation is studied for acetic acid-acetate, phosphoric acid-dihydrogenphosphate-hydrogenphosphate, citric acid-dihydrogencitrate-citrate, and ammonium-ammonia buffers. The proposed equations allow pH estimation of acetonitrile-water buffered mobile phases up to 60% (v/v) of organic modifier and initial aqueous buffer concentrations between 0.001 and 0.1 mol L(-1), from the initial aqueous pH. The estimated pH variation of the mobile phase and the pKa variation of the analytes allow us to predict the degree of ionisation of the analytes and from this and analyte hydrophobicities, to interpret the relative retention and separation of analyte mixtures. PMID:15628122

  7. Cellulose esters synthesized using a tetrabutylammonium acetate and dimethylsulfoxide solvent system

    NASA Astrophysics Data System (ADS)

    Yu, Yongqi; Miao, Jiaojiao; Jiang, Zeming; Sun, Haibo; Zhang, Liping

    2016-07-01

    Cellulose acetate (CA) and cellulose acetate propionate (CAP) were homogeneously synthesized in a novel tetrabutylammonium acetate/dimethyl sulfoxide (DMSO) solvent system, without any catalyst, at temperatures below 70 °C. The molecular structures of the cellulose esters (CEs) and distributions of the substituents in the anhydroglucose repeating units were determined using 13C cross-polarization magic angle spinning nuclear magnetic resonance spectroscopy, and the degree of substitution (DS) values were determined using 1H nuclear magnetic resonance spectroscopy. The structures of the CEs, regenerated cellulose (RC), and pulp were determined using Fourier transform infrared spectroscopy. The thermal properties of the products were determined using thermogravimetric analysis. The temperatures of initial decomposition of the CEs were up to 40 °C higher than those of the RC and pulp. All the CEs were highly soluble in DMSO, but were insoluble in acetone. CAs with DS values less than 2.6 swelled or were poorly dissolved in CHCl3, but those with DS values above 2.9 dissolved rapidly. CAPs with DS values above 2.6 had good solubilities in ethyl acetate.

  8. Understanding Palladium Acetate from a User Perspective.

    PubMed

    Carole, William A; Colacot, Thomas J

    2016-06-01

    The behavior of palladium acetate is reviewed with respect to its synthesis, characterization, structure (in both solution and solid state), and activation pathways. In addition, comparisons of catalytic activities between pure palladium acetate and two common byproducts, Pd3 (OAc)5 (NO2 ) and polymeric [Pd(OAc)2 ]n , typically present in commercially available material are reviewed. Hence, this minireview serves as a concise guide for the users of palladium acetate from both academia and industry. PMID:27125630

  9. 21 CFR 184.1005 - Acetic acid.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Acetic acid. 184.1005 Section 184.1005 Food and... Substances Affirmed as GRAS § 184.1005 Acetic acid. (a) Acetic acid (C2H4O2, CAS Reg. No. 64-19-7) is known as ethanoic acid. It occurs naturally in plant and animal tissues. It is produced by fermentation...

  10. 21 CFR 184.1005 - Acetic acid.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Acetic acid. 184.1005 Section 184.1005 Food and... Substances Affirmed as GRAS § 184.1005 Acetic acid. (a) Acetic acid (C2H4O2, CAS Reg. No. 64-19-7) is known as ethanoic acid. It occurs naturally in plant and animal tissues. It is produced by fermentation...

  11. 21 CFR 184.1721 - Sodium acetate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... sodium sulfate and sodium bicarbonate. (b) The ingredient meets the specifications of the Food Chemicals... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Sodium acetate. 184.1721 Section 184.1721 Food and... Substances Affirmed as GRAS § 184.1721 Sodium acetate. (a) Sodium acetate (C2H3O2Na, CAS Reg. No. 127-09-3...

  12. 21 CFR 184.1721 - Sodium acetate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... sodium sulfate and sodium bicarbonate. (b) The ingredient meets the specifications of the Food Chemicals... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Sodium acetate. 184.1721 Section 184.1721 Food and... Substances Affirmed as GRAS § 184.1721 Sodium acetate. (a) Sodium acetate (C2H3O2Na, CAS Reg. No. 127-09-3...

  13. 21 CFR 184.1721 - Sodium acetate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... sodium sulfate and sodium bicarbonate. (b) The ingredient meets the specifications of the Food Chemicals... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Sodium acetate. 184.1721 Section 184.1721 Food and... Substances Affirmed as GRAS § 184.1721 Sodium acetate. (a) Sodium acetate (C2H3O2Na, CAS Reg. No. 127-09-3...

  14. A novel aminoalcohol modifier for the enantioselective hydrogenation of ethyl pyruvate on Pt/alumina

    SciTech Connect

    Minder, B.; Mallat, T.; Baiker, A.

    1995-07-01

    A novel chiral modifier, (R)-2-(1-pyrrolidinyl)-1-(1-naphthyl) ethanol (PNE), has been synthesised and tested in the enantioselective hydrogenation of ethyl pyruvate over Pt/alumina. An enantiomeric excess in (R)-ethyl lactate of up to 75% was achieved. The influence of solvent, pressure, temperature, and concentrations of the components (reactant, modifier, catalyst) on the reaction rate and enantiodifferentiation was investigated. Among various polar and nonpolar solvents, acetic acid was found to be most suitable for reaching good enantioselectivity. Favorable reaction conditions are 1-10 bar hydrogen pressure, 0-25{degrees}C, and a catalyst loading {ge}15 g liter{sup -1}. The efficiency of PNE is demonstrated by the very low modifier:reactant molar ratio (1:30,000) which is required to obtain maximum enantioselectivity. The performance and stability of the aminoalcohol-type modifer are compared to those of cinchona alkaloids. At low hydrogen pressure, the enantiodifferentiation of PNE is comparable to that of 10,11-dihydrocinchonidine. 39 refs., 10 figs., 1 tab.

  15. Monitoring codling moth (Lepidoptera: Tortricidae) in sex phermone-treated orchards with (E)-4,8-dimethyl-1,3,7-nonatriene or pear ester in combination with codlemone and acetic acid

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Traps baited with ethyl (E,Z)-2,4-decadienoate (pear ester) or (E)-4,8-dimethyl-1,3,7-nonatriene (DMNT) in two- or three-way combinations with the sex pheromone (E,E)-8,10-dodecadien-1-ol (codlemone) and acetic acid (AA) were evaluated for codling moth, Cydia pomonella (L.). All studies were conduct...

  16. IRIS TOXICOLOGICAL REVIEW OF METHYL ETHYL KETONE (2003 Final)

    EPA Science Inventory

    EPA is announcing 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 Quickview have also been added to the IRIS Database.

  17. 46 CFR 151.50-42 - Ethyl ether.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Ethyl ether. 151.50-42 Section 151.50-42 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES BARGES CARRYING BULK LIQUID HAZARDOUS MATERIAL CARGOES Special Requirements § 151.50-42 Ethyl ether. (a)(1) Gravity...

  18. Positron scattering from vinyl acetate

    NASA Astrophysics Data System (ADS)

    Chiari, L.; Zecca, A.; Blanco, F.; García, G.; Brunger, M. J.

    2014-09-01

    Using a Beer-Lambert attenuation approach, we report measured total cross sections (TCSs) for positron scattering from vinyl acetate (C4H6O2) in the incident positron energy range 0.15-50 eV. In addition, we also report an independent atom model with screening corrected additivity rule computation results for the TCSs, differential and integral elastic cross sections, the positronium formation cross section and inelastic integral cross sections. The energy range of these calculations is 1-1000 eV. While there is a reasonable qualitative correspondence between measurement and calculation for the TCSs, in terms of the energy dependence of those cross sections, the theory was found to be a factor of ˜2 larger in magnitude at the lower energies, even after the measured data were corrected for the forward angle scattering effect.

  19. Occupational allergic contact dermatitis from ethyl cyanoacrylate.

    PubMed

    Bruze, M; Björkner, B; Lepoittevin, J P

    1995-03-01

    Glues based on cyanoacrylates are widely used as contact adhesives for metal, glass, rubber, plastics and textiles, as well for biological materials, including binding tissues and sealing wounds in surgery. In this paper, an apprentice cobbler with an occupational allergic contact dermatitis from an ethyl cyanoacrylate glue, in which the major monomer was shown to be the sensitizer, is reported. Initial patch testing with the cyanoacrylate glue dissolved in acetone with the Finn Chamber (aluminium) technique yielded false-negative reactions. Positive test reactions were obtained with the same preparations using Van der Bend chambers. With petrolatum as vehicle for the glue, there was no difference between Finn Chamber technique and Van der Bend chamber technique. The role of aluminium in the false-negative reactions is discussed. PMID:7774187

  20. Extractive fermentation of acetic acid

    SciTech Connect

    Busche, R.M.

    1991-12-31

    In this technoeconomic evaluation of the manufacture of acetic acid by fermentation, the use of the bacterium: Acetobacter suboxydans from the old vinegar process was compared with expected performance of the newer Clostridium thermoaceticum bacterium. Both systems were projected to operate as immobilized cells in a continuous, fluidized bed bioreactor, using solvent extraction to recover the product. Acetobacter metabolizes ethanol aerobically to produce acid at 100 g/L in a low pH medium. This ensures that the product is in the form of a concentrated extractable free acid, rather than as an unextractable salt. Unfortunately, yields from glucose by way of the ethanol fermentation are poor, but near the biological limits of the organisms involved. Conversely, C. thermoaceticum is a thermophilic anaerobe that operates at high fermentation rates on glucose at neutral pH to produce acetate salts directly in substantially quantitative yields. However, it is severely inhibited by product, which restricts concentration to a dilute 20 g/L. An improved Acetobacter system operating with recycled cells at 50 g/L appears capable of producing acid at $0.38/lb, as compared with a $0.29/lb price for synthetic acid. However, this system has only a limited margin for process improvement. The present Clostridium system cannot compete, since the required selling price would be $0.42/lb. However, if the organism could be adapted to tolerate higher product concentrations at acid pH, selling price could be reduced to $0.22/lb, or about 80% of the price of synthetic acid.

  1. A morphogenetic regulatory role for ethyl alcohol in Candida albicans.

    PubMed

    Chauhan, Nitin M; Raut, Jayant S; Karuppayil, S Mohan

    2011-11-01

    Regulation of morphogenesis through the production of chemical signalling molecules such as isoamyl alcohol, 2-phenylethyl alcohol, 1-dodecanol, E-nerolidol and farnesol is reported in Candida albicans. The present study focuses on the effect of ethyl alcohol on C. albicans dimorphism and biofilm development. Ethyl alcohol inhibited germ tube formation induced by the four standard inducers in a concentration-dependent manner. The germ tube inhibitory concentration (4%) did not have any effect on the growth and viability of C. albicans cells. Ethyl alcohol also inhibited the elongation of germ tubes. Four percentage of ethyl alcohol significantly inhibited biofilm development on polystyrene and silicone surfaces. We suggest a potential morphogenetic regulatory role for ethyl alcohol, which may influence dissemination, virulence and establishment of infection. PMID:21605190

  2. Fragmentation dynamics of the ethyl bromide and ethyl iodide cations: a velocity-map imaging study.

    PubMed

    Gardiner, Sara H; Karsili, Tolga N V; Lipciuc, M Laura; Wilman, Edward; Ashfold, Michael N R; Vallance, Claire

    2014-02-01

    The photodissociation dynamics of ethyl bromide and ethyl iodide cations (C2H5Br(+) and C2H5I(+)) have been studied. Ethyl halide cations were formed through vacuum ultraviolet (VUV) photoionization of the respective neutral parent molecules at 118.2 nm, and were photolysed at a number of ultraviolet (UV) photolysis wavelengths, including 355 nm and wavelengths in the range from 236 to 266 nm. Time-of-flight mass spectra and velocity-map images have been acquired for all fragment ions and for ground (Br) and spin-orbit excited (Br*) bromine atom products, allowing multiple fragmentation pathways to be investigated. The experimental studies are complemented by spin-orbit resolved ab initio calculations of cuts through the potential energy surfaces (along the RC-Br/I stretch coordinate) for the ground and first few excited states of the respective cations. Analysis of the velocity-map images indicates that photoexcited C2H5Br(+) cations undergo prompt C-Br bond fission to form predominantly C2H5(+) + Br* products with a near-limiting 'parallel' recoil velocity distribution. The observed C2H3(+) + H2 + Br product channel is thought to arise via unimolecular decay of highly internally excited C2H5(+) products formed following radiationless transfer from the initial excited state populated by photon absorption. Broadly similar behaviour is observed in the case of C2H5I(+), along with an additional energetically accessible C-I bond fission channel to form C2H5 + I(+) products. HX (X = Br, I) elimination from the highly internally excited C2H5X(+) cation is deemed the most probable route to forming the C2H4(+) fragment ions observed from both cations. Finally, both ethyl halide cations also show evidence of a minor C-C bond fission process to form CH2X(+) + CH3 products. PMID:24317740

  3. The solvation of ions in acetonitrile and acetone. II. Monte Carlo simulations using polarizable solvent models

    NASA Astrophysics Data System (ADS)

    Fischer, R.; Richardi, J.; Fries, P. H.; Krienke, H.

    2002-11-01

    Structural properties and energies of solvation are simulated for alkali and halide ions. The solvation structure is discussed in terms of various site-site distribution functions, of solvation numbers, and of orientational correlation functions of the solvent molecules around the ions. The solvent polarizability has notable effects which cannot be intuitively predicted. In particular, it is necessary to reproduce the experimental solvation numbers of small ions. The changes of solvation properties are investigated along the alkali and halide series. By comparing the solvation of ions in acetone to that in acetonitrile, it is shown that the spatial correlations among the solvent molecules around an ion result in a strong screening of the ion-solvent direct intermolecular potential and are essential to understand the changes in the solvation structures and energies between different solvents. The solvation properties derived from the simulations are compared to earlier predictions of the hypernetted chain (HNC) approximation of the molecular Ornstein-Zernike (MOZ) theory [J. Richardi, P. H. Fries, and H. Krienke, J. Chem. Phys. 108, 4079 (1998)]. The MOZ(HNC) formalism gives an overall qualitatively correct picture of the solvation and its various unexpected findings are corroborated. For the larger ions, its predictions become quantitative. The MOZ approach allows to calculate solvent-solvent and ion-solvent potentials of mean force, which shed light on the 3D labile molecular and ionic architectures in the solution. These potentials of mean force convey a unique information which is necessary to fully interpret the angle-averaged structural functions computed from the simulations. Finally, simulations of solutions at finite concentrations show that the solvent-solvent and ion-solvent spatial correlations at infinite dilution are marginally altered by the introduction of fair amounts of ions.

  4. Iron(II) catalysis in oxidation of hydrocarbons with ozone in acetonitrile

    DOE PAGESBeta

    Bataineh, Hajem; Pestovsky, Oleg; Bakac, Andreja

    2015-02-11

    Oxidation of alcohols, ethers, and sulfoxides by ozone in acetonitrile is catalyzed by submillimolar concentrations of Fe(CH3CN)62+. The catalyst provides both rate acceleration and greater selectivity toward the less oxidized products. For example, Fe(CH3CN)62+-catalyzed oxidation of benzyl alcohol yields benzaldehyde almost exclusively (>95%), whereas the uncatalyzed reaction generates a 1:1 mixture of benzaldehyde and benzoic acid. Similarly, aliphatic alcohols are oxidized to aldehydes/ketones, cyclobutanol to cyclobutanone, and diethyl ether to a 1:1 mixture of ethanol and acetaldehyde. The kinetics of oxidation of alcohols and diethyl ether are first-order in [Fe(CH3CN)62+] and [O3] and independent of [substrate] at concentrations greater thanmore » ~5 mM. In this regime, the rate constant for all of the alcohols is approximately the same, kcat = (8 ± 1) × 104 M–1 s–1, and that for (C2H5)2O is (5 ± 0.5) × 104 M–1 s–1. In the absence of substrate, Fe(CH3CN)62+ reacts with O3 with kFe = (9.3 ± 0.3) × 104 M–1 s–1. The similarity between the rate constants kFe and kcat strongly argues for Fe(CH3CN)62+/O3 reaction as rate-determining in catalytic oxidation. The active oxidant produced in Fe(CH3CN)62+/O3 reaction is suggested to be an Fe(IV) species in analogy with a related intermediate in aqueous solutions. As a result, this assignment is supported by the similarity in kinetic isotope effects and relative reactivities of the two species toward substrates.« less

  5. Mechanistic insight into alkylation of the ethyl acetoacetate anion with different ethyl halides

    NASA Astrophysics Data System (ADS)

    Marković, S.; Đurđević, J.; Vukosavljević, M.; Petrović, Z.

    2013-12-01

    The alkylation reactions of the ambident ethyl acetoacetate anion with C2H5X (X = F, Cl, Br, and I) in the O2, C3, and O4 positions of the anion were investigated at the B3LYP/6-311+G( d,p) level of theory. It was found that the ethylation reaction does not occur in the position O4, as well as with ethyl fluoride in any position of the anion, due to very high activation energies and thermodynamic instability of the hypothetic products. The activation energies for the reactions in the position O2 are lower in comparison to the position C3, but the products of the reactions in the C3 position are more stable than those in the position O4, implying that the C/O products ratio is controlled by both thermodynamic and kinetic factors, leading to the O2-product with the chloride, and C3-product with the iodide as leaving group.

  6. 21 CFR 556.380 - Melengestrol acetate.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Melengestrol acetate. 556.380 Section 556.380 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Tolerances for Residues of New Animal Drugs § 556.380 Melengestrol acetate. A tolerance of 25 parts...

  7. 21 CFR 556.380 - Melengestrol acetate.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Melengestrol acetate. 556.380 Section 556.380 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Tolerances for Residues of New Animal Drugs § 556.380 Melengestrol acetate. A tolerance of 25 parts...

  8. 21 CFR 556.380 - Melengestrol acetate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Melengestrol acetate. 556.380 Section 556.380 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Tolerances for Residues of New Animal Drugs § 556.380 Melengestrol acetate. A tolerance of 25 parts...

  9. 21 CFR 556.380 - Melengestrol acetate.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Melengestrol acetate. 556.380 Section 556.380 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Tolerances for Residues of New Animal Drugs § 556.380 Melengestrol acetate. A tolerance of 25 parts...

  10. Kinetics and mechanism of monomolecular heterolysis of framework compounds. VI. Dehydrobromination of 2-bromo-2-methyladamantane in acetonitrile

    SciTech Connect

    Ponomareva, E.A.; Vasil'kevich, A.I.; Tarsenko, P.V.; Dvorko, G.F.

    1988-08-10

    The kinetics of dehydrobromination of 2-bromo-2-methyladamantane in acetonitrile were studied in the presence of triphenylverdazyl as internal indicator; k/sub 25/ = 8.57 /times/ 10/sup /minus/5/ sec/sup /minus/1/, /Delta/H/sup /ne// 79 kJ/mole, /Delta/S/sup /ne// /minus/58 kJ/mole /times/ deg. Additions of water, phenols, lithium perchlorate, and bromides increase the reaction rate, and additions of nitrates and picrates reduce it. A similar pattern is observed in the dehydrobromination of tert-butyl bromide in acetonitrile. In the presence of tetraethylammonium chloride the heterolysis rate of 2-bromo-2-methyladamantane decreases, while that of tert-butyl bromide increases. The positive salt effect is explained by stabilization of the transition state by the salt, and the negative salt effect is explained by the reaction of the anion with the sterically separated or solvent-separated ion pair of the substrate.

  11. Fluorescence of excited charge-transfer complexes and absolute dynamics of radical-ion pairs in acetonitrile

    SciTech Connect

    Gould, I.R.; Farid, S.

    1992-09-17

    An analysis of the dynamics of the radical-ion pairs of a series of 2,6,9,10-tetracyanoanthracene acceptor/alkylbenzene donor systems in acetonitrile is described in this paper. This analysis is carried out by using a combination of time-resolved emission and absorption spectroscopies and measurements of {Phi} {sub ions} from the contact radical-ion pair (CRIP) and the solvent-separated radical-ion pair (SSRIP).

  12. Complexation dynamics of CH3SCN and Li(+) in acetonitrile studied by two-dimensional infrared spectroscopy.

    PubMed

    Kwon, YoungAh; Park, Sungnam

    2015-10-01

    Ion-molecule complexation dynamics were studied with CH3SCN and Li(+) in acetonitrile by vibrationally probing the nitrile stretching vibration of CH3SCN. The nitrile stretching vibration of CH3SCN has a long lifetime (T1 = ∼90 ps) and its frequency is significantly blue-shifted when CH3SCN is bound with Li(+) ions to form a CH3SCNLi(+) complex in acetonitrile. Such spectral properties enable us to distinguish free CH3SCN and the CH3SCNLi(+) complex in solutions and measure their dynamics occurring on hundred picosecond timescales. For the complexation between CH3SCN and Li(+) in acetonitrile, the change in enthalpy (ΔH = -7.17 kJ mol(-1)) and the change in entropy (ΔS = -34.4 J K(-1) mol(-1)) were determined by temperature-dependent FTIR experiments. Polarization-controlled infrared pump-probe (IR PP) spectroscopy was used to measure the population decay and orientational dynamics of free CH3SCN and the CH3SCNLi(+) complex. Especially, the orientational relaxation of the CH3SCNLi(+) complex was found to be almost 3 times slower than those of free CH3SCN because Li(+) ions strongly interact with the neighboring solvents. Most importantly, the complexation dynamics of CH3SCN and Li(+) in acetonitrile were successfully measured in real time by 2DIR spectroscopy for the first time and the dissociation and association time constants were directly determined by using the two-species exchange kinetic model. Our experimental results provide a comprehensive overview of the ion-molecule complexation dynamics in solutions occurring under thermal equilibrium conditions. PMID:26323322

  13. Utilization of Cyanoacetohydrazide and Oxadiazolyl Acetonitrile in the Synthesis of Some New Cytotoxic Heterocyclic Compounds.

    PubMed

    Shaker, Soheir A; Marzouk, Magda I

    2016-01-01

    A (pyridazinyl)acetate derivative was reacted with thiosemicarbazide and hydrazine hydrate to yield spiropyridazinone and acetohydrazide derivatives, respectively. The acetohydrazide derivative was used as a starting material for synthesizing some new heterocyclic compounds such as oxoindolinylidene, dimethylpyrazolyl, methylpyrazolyl, oxopyrazolyl, cyanoacetylacetohydrazide and oxadiazolylacetonitrile derivatives. The behavior of the cyanoacetylacetohydrazide and oxadiazolylacetonitrile derivatives towards nitrogen and carbon nucleophiles was investigated. The assigned structures of the prepared compounds were elucidated by spectral methods (IR, ¹H-NMR (13)C-NMR and mass spectroscopy). Some of the newly prepared compounds were tested in vitro against a panel of four human tumor cell lines, namely hepatocellular carcinoma (liver) HePG-2, colon cancer HCT-116, human prostate cancer PC3, and mammary gland breast MCF-7. Also they were tested as antioxidants. Almost all of the tested compounds showed satisfactory activity. PMID:26840279

  14. Photochemical oxidation of thiophene by O2 in an oil/acetonitrile two-phase extraction system.

    PubMed

    Li, Fa-Tang; Zhao, Di-Shun; Li, Hong-Xia; Liu, Rui-Hong

    2008-10-01

    Photochemical oxidation of thiophene in an n-octane/acetonitrile extraction system using O(2) as oxidant was studied. Results obtained here can be used as a reference for desulfurization of gasoline, because thiophene is one of the main components containing sulfur in fluid catalytic cracking gasoline. A 500-W high-pressure mercury lamp was used as a light source for irradiation, and air was introduced by a gas pump to supply O(2). Thiophene dissolved in nopolar n-octane solvent was photodecomposed and removed into the polar acetonitrile phase. The desulfurization rate of thiophene in n-octane was 65.2% under photoirradiation for 5 h under the conditions of air flow at 150 mL min(-1), and V(n-octane):V(acetonitrile) = 1:1. This can be improved to 96.5% by adding 0.15 g Na-ZSM-5 zeolite into the 100-mL reaction system, which is the absorbent for O(2) and thiophene. Under such conditions, the photooxidation kinetics of thiophene with O(2) and Na-ZSM-5 zeolite is first-order with an apparent rate constant of 0.6297 h(-1) and half-time of 1.10 h. The sulfur content can be reduced from 800 microL L(-1) to 28 microL L(-1). PMID:18991938

  15. Ethyl pyruvate protects colonic anastomosis from ischemia-reperfusion injury.

    PubMed

    Unal, B; Karabeyoglu, M; Huner, T; Canbay, E; Eroglu, A; Yildirim, O; Dolapci, M; Bilgihan, A; Cengiz, O

    2009-03-01

    Ethyl pyruvate is a simple derivative in Ca(+2)- and K(+)-containing balanced salt solution of pyruvate to avoid the problems associated with the instability of pyruvate in solution. It has been shown to ameliorate the effects of ischemia-reperfusion (I/R) injury in many organs. It has also been shown that I/R injury delays the healing of colonic anastomosis. In this study, the effect of ethyl pyruvate on the healing of colon anastomosis and anastomotic strength after I/R injury was investigated. Anastomosis of the colon was performed in 32 adult male Wistar albino rats divided into 4 groups of 8 individuals: (1) sham-operated control group (group 1); (2) 30 minutes of intestinal I/R by superior mesenteric artery occlusion (group 2); (3) I/R+ ethyl pyruvate (group 3), ethyl pyruvate was administered as a 50-mg/kg/d single dose; and (4) I/R+ ethyl pyruvate (group 4), ethyl pyruvate administration was repeatedly (every 6 hours) at the same dose (50 mg/kg). On the fifth postoperative day, animals were killed. Perianastomotic tissue hydroxyproline contents and anastomotic bursting pressures were measured in all groups. When the anastomotic bursting pressures and tissue hydroxyproline contents were compared, it was found that they were decreased in group 2 when compared with groups 1, 3, and 4 (P < .05). Both anastomotic bursting pressure (P = .005) and hydroxyproline content (P < .001) levels were found to be significantly increased with ethyl pyruvate administration when compared with group 2. When ethyl pyruvate administration doses were compared, a significant difference was not observed (P > .05). Ethyl pyruvate significantly prevents the delaying effect of I/R injury on anastomotic strength and healing independent from doses of administration. PMID:19064591

  16. The adsorption and reaction of Acetonitrile on clean and oxygen covered Ag(110) surfaces

    NASA Astrophysics Data System (ADS)

    Capote, Armand J.; Hamza, Alex V.; Canning, Nicholas D. S.; Madix, Robert J.

    1986-10-01

    The adsorption and reaction of acetonitrile (CH 3CN) on clean and oxygen covered Ag(110) surfaces has been studied using temperature programmed reaction spectroscopy (TPRS), isotope exchange, chemical displacement reactions and high resolution electron energy loss spectroscopy (EELS). On the clean Ag(110) surface, CH 3CN was reversibly adsorbed, desorbing with an activation energy of 10 kcal mol -1 at 166 K from a monolayer state and at 158 K from a multilayer state. Vibrational spectra of multilayer, monolayer and sub-monolayer CH 3CN were in excellent agreement with that of gas phase CH 3CN indicating that CH 3CN is only weakly bonded to the clean Ag(110) surface. On the partially oxidized surface CH 3CN reacts with atomic oxygen to form adsorbed CH 2CN, OH and H 2O in addition to forming another molecular adsorption state with a desorption peak at 240 K. This molecular state shows a CN stretching frequency of 1840 cm -1, which is indicative of substantial rehybridization of the CN bond and is associated with side-on coordination via the π system. The CH 2CN species is stable up to 430 K, where C-H bond breaking and reformation begins, leading to the formation of CH 3CN at 480 K and HCN at 510 K and leaving only carbon on the surface. In the presence of excess oxygen atoms C-H bond breaking and reformation is more facile leading to additional desorption peaks for CH 3CN and H 2O at 420 K. This destabilizing effect of O (a) on Ch 2CN (a) is explained in terms of an anionic (CH 2CN -1) species. Comparison of the vibrational spectra from CH 2CN (a) and CD 2CN (a) supports the following assignment for the modes of adsorbed CH 2CN: ν(Ag-C) 215: δ(CCN) 545; ϱ t(CH 2) 695; ϱ w(CH 2) 850; ν(C-C) 960; ϱ r(CH 2) 1060; δ(CH 2) 1375; ν(CN) 2075; and ν(CH 2) 2940 cm -1. These results serve to further indicate the wide applicability of the acid-base reaction concept for reactions between gas phase Brönsted acids and adsorbed oxygen atoms on solver surfaces.

  17. Iron(II) catalysis in oxidation of hydrocarbons with ozone in acetonitrile

    SciTech Connect

    Bataineh, Hajem; Pestovsky, Oleg; Bakac, Andreja

    2015-02-11

    Oxidation of alcohols, ethers, and sulfoxides by ozone in acetonitrile is catalyzed by submillimolar concentrations of Fe(CH3CN)62+. The catalyst provides both rate acceleration and greater selectivity toward the less oxidized products. For example, Fe(CH3CN)62+-catalyzed oxidation of benzyl alcohol yields benzaldehyde almost exclusively (>95%), whereas the uncatalyzed reaction generates a 1:1 mixture of benzaldehyde and benzoic acid. Similarly, aliphatic alcohols are oxidized to aldehydes/ketones, cyclobutanol to cyclobutanone, and diethyl ether to a 1:1 mixture of ethanol and acetaldehyde. The kinetics of oxidation of alcohols and diethyl ether are first-order in [Fe(CH3CN)62+] and [O3] and independent of [substrate] at concentrations greater than ~5 mM. In this regime, the rate constant for all of the alcohols is approximately the same, kcat = (8 ± 1) × 104 M–1 s–1, and that for (C2H5)2O is (5 ± 0.5) × 104 M–1 s–1. In the absence of substrate, Fe(CH3CN)62+ reacts with O3 with kFe = (9.3 ± 0.3) × 104 M–1 s–1. The similarity between the rate constants kFe and kcat strongly argues for Fe(CH3CN)62+/O3 reaction as rate-determining in catalytic oxidation. The active oxidant produced in Fe(CH3CN)62+/O3 reaction is suggested to be an Fe(IV) species in analogy with a related intermediate in aqueous solutions. As a result, this assignment is supported by the similarity in kinetic isotope effects and relative reactivities of the two species toward substrates.

  18. Structural and energetic properties of acetonitrile-Group IV (A & B) halide complexes.

    PubMed

    Helminiak, Heather M; Knauf, Robin R; Danforth, Samuel J; Phillips, James A

    2014-06-19

    We have conducted an extensive computational study of the structural and energetic properties of select acetonitrile-Group IV (A & B) tetrahalide complexes, both CH3CN-MX4 and (CH3CN)2-MX4 (M = Si, Ge, Ti; X = F, Cl). We have also examined the reactivity of CH3CN with SiF4, SiCl4, GeCl4, and TiCl4, and measured low-temperature IR spectra of thin films containing CH3CN with SiF4, GeCl4, or TiCl4. The six 1:1 complexes fall into two general structural classes. CH3CN-TiCl4, CH3CN-TiF4, and CH3CN-GeF4, exhibit relatively short M-N bonds (~2.3 Å), an intermediate degree of distortion in the MX4 subunit, and binding energies ranging from 11.0 to 13.0 kcal/mol. Conversely, CH3CN-GeCl4, CH3CN-SiF4, and CH3CN-SiCl4, are weakly bonded systems, with long M-N distances (>3.0 Å), little distortion in the MX4 subunit, and binding energies ranging from 3.0 to 4.4 kcal/mol. The structural features of analogous 2:1 systems resemble those of their 1:1 counterparts, whereas the binding energies (relative to three isolated fragments) are roughly twice as large. Calculated M-N potential curves in the gas phase and bulk, dielectric media are reported for all 1:1 complexes, and for two systems, CH3CN-GeF4 and CH3CN-SiF4, these data predict significant condensed-phase structural changes. The effect on the CH3CN-SiF4 potential is extreme; the curve becomes quite flat over a broad range in dielectric media, and at higher ε values, the global minimum shifts inward by about 1.0 Å. In bulk reactivity experiments, no reaction was observed between CH3CN and SiF4, SiCl4, or GeCl4, whereas CH3CN and TiCl4 were found to react immediately upon contact. Also, thin-film IR spectra indicate a strong interaction between CH3CN and TiCl4, yet only weak interactions between CH3CN and GeCl4 or SiF4 in the solid state. PMID:24852185

  19. Undergraduate Analytical Chemistry Experiment: The Determination of Formation Constants for Acetate and Mono-and Dichloroacetate Salts of Primary, Secondary, and Tertiary Methyl-and Ethylamines

    ERIC Educational Resources Information Center

    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…

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

    PubMed Central

    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

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

    PubMed

    Mortén, Magnus; Hennum, Martin; Bonge-Hansen, Tore

    2016-01-01

    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

  2. Molecular interactions in the ionic liquid emim acetate and water binary mixtures probed via NMR spin relaxation and exchange spectroscopy.

    PubMed

    Allen, Jesse J; Bowser, Sage R; Damodaran, Krishnan

    2014-05-01

    Interactions of ionic liquids (ILs) with water are of great interest for many potential IL applications. 1-Ethyl-3-methylimidazolium (emim) acetate, in particular, has shown interesting interactions with water including hydrogen bonding and even chemical exchange. Previous studies have shown the unusual behavior of emim acetate when in the presence of 0.43 mole fraction of water, and a combination of NMR techniques is used herein to investigate the emim acetate-water system and the unusual behavior at 0.43 mole fraction of water. NMR relaxometry techniques are used to describe the effects of water on the molecular motion and interactions of emim acetate with water. A discontinuity is seen in nuclear relaxation behavior at the concentration of 0.43 mole fraction of water, and this is attributed to the formation of a hydrogen bonded network. EXSY measurements are used to determine the exchange rates between the H2 emim proton and water, which show a complex dependence on the concentration of the mixture. The findings support and expand our previous results, which suggested the presence of an extended hydrogen bonding network in the emim acetate-water system at concentrations close to 0.50 mole fraction of H2O. PMID:24654003

  3. The pharmacology of nomegestrol acetate.

    PubMed

    Ruan, Xiangyan; Seeger, Harald; Mueck, Alfred O

    2012-04-01

    Nomegestrol acetate (NOMAC) is a 19-norprogesterone derivative with high biological activity at the progesterone receptor, a weak anti-androgenic effect, but with no binding to estrogen, glucocorticoid or mineralocorticoid receptors. At dosages of 1.5mg/day or more, NOMAC effectively suppresses gonadotropic activity and ovulation in women of reproductive age. Hemostasis, lipids and carbohydrate metabolism remain largely unchanged. In normal and cancerous human breast cells, NOMAC has shown favorable effects on estrogen metabolism. Like natural progesterone (but in contrast to some other synthetic progestogens), it does not appear stimulate the proliferation of cancerous breast cells. While there has been some experience of the use of NOMAC in combination with estrogens as a hormone replacement therapy, most of the data on the compound are reported in the context of its inclusion as a component of a new contraceptive pill comprising 2.5mg NOMAC combined with 1.5mg estradiol. Because of its strong endometrial efficacy, and due to its high antigonadotropic activity and long elimination half-life (about 50h), the contraceptive efficacy of the new pill is maintained even when dosages are missed. Furthermore, for the first time with a monophasic 24/4 regimen containing estradiol, cyclical stability can be achieved comparable with that obtained using pills containing ethinyl estradiol and progestogens like levonorgestrel or drospirenone. The addition of NOMAC to estradiol means that the beneficial effects of estrogen are not lost, which is of especial importance in relation to the cardiovascular system. On the basis both of its pharmacology and of studies performed during the development of the NOMAC/estradiol pill, involving some 4000 women in total, good long-term tolerability can be expected for NOMAC, although its safety profile is still to be fully ascertained, as the clinical endpoint studies are yet to be completed. PMID:22364709

  4. Conversion to eslicarbazepine acetate monotherapy

    PubMed Central

    French, Jacqueline; Jacobson, Mercedes P.; Pazdera, Ladislav; Gough, Mallory; Cheng, Hailong; Grinnell, Todd; Blum, David

    2016-01-01

    Objective: To assess the efficacy and safety of eslicarbazepine acetate (ESL) monotherapy. Methods: This post hoc pooled analysis of 2 randomized double-blind studies (093-045 and -046) included adults with partial-onset seizures medically uncontrolled by 1 or 2 antiepileptic drugs (AEDs). Following the baseline period (8 weeks), eligible patients were randomized 2:1 to receive ESL 1,600 mg or 1,200 mg once daily for 18 weeks; the primary endpoint was study exit by meeting predefined exit criteria (signifying worsening seizure control). In each study, treatment was considered effective if the upper 95% confidence limit for exit rate was lower than the historical control threshold (65.3%). Results: Pooled exit rates were as follows: ESL 1,600 mg = 20.6% (95% confidence interval: 15.6%–26.8%); ESL 1,200 mg = 30.8% (23.0%–40.5%). Use of 2 baseline AEDs or rescue medication, US location, epilepsy duration ≥20 years, and higher maximum baseline seizure frequency were associated with higher exit risks. Median percent reductions in standardized seizure frequency between baseline and the 18-week double-blind period were as follows: ESL 1,600 mg = 43.2%; ESL 1,200 mg = 35.7%; baseline carbamazepine use was associated with smaller reductions. Safety profiles were similar between ESL doses. Conclusions: Exit rates for ESL monotherapy (1,600 mg and 1,200 mg once daily) were lower than the historical control threshold, irrespective of baseline AED use and region, with no additional safety concerns identified. Clinical factors and location clearly influence treatment responses in conversion-to-monotherapy trials. Classification of evidence: This pooled analysis provides Class IV evidence that for adults with medically uncontrolled partial-onset seizures, ESL monotherapy is well tolerated and effective. PMID:26911639

  5. Ethyl Lithiodiazoacetate: Extremely Unstable Intermediate Handled Efficiently in Flow.

    PubMed

    Müller, Simon T R; Hokamp, Tobias; Ehrmann, Svenja; Hellier, Paul; Wirth, Thomas

    2016-08-16

    Ethyl diazoacetate (EDA) is one of the most prominent diazo reagents. It is frequently used in metal-carbene-type reactions. However, EDA can also be used as a nucleophile under base catalysis. Whilst the addition of EDA to aldehydes can be performed using organic bases, the addition of EDA to other carbonyl electrophiles requires the use of organometallics such as lithium diisopropylamide (LDA). The generated ethyl lithiodiazoacetate is highly reactive and decomposes rapidly, even at low temperatures. Herein, we report a continuous flow protocol that overcomes the problems associated with the instantaneous decomposition of ethyl lithiodiazoacetate. The addition of ethyl lithiodiazoacetate to ketones provides direct access to tertiary diazoalcohols in good yields. PMID:27339757

  6. [Reaction of 1,8-naphthyridine azides with ethyl acrylate].

    PubMed

    Livi, O; Ferrarini, P L; Bertini, D; Tonetti, I

    1975-12-01

    The reaction of 1,8-naphthyridine azides with ethyl acrylate leads to the formation of 2-pyrazolines instead of 1,2,3-triazolines. Some of the compounds obtained have undergone pharmacological and microbiological (antibacterial) testing. PMID:1204828

  7. [μ2-trans-1,2-Bis-(pyridin-4-yl)ethene-κ(2) N:N']bis-{[1,2-bis-(pyridin-4-yl)ethene-κN]bis-[N-(2-hydroxy-eth-yl)-N-iso-propyl-dithio-carbamato-κ(2) S,S']cadmium} aceto-nitrile tetra-solvate: crystal structure and Hirshfeld surface analysis.

    PubMed

    Jotani, Mukesh M; Poplaukhin, Pavel; Arman, Hadi D; Tiekink, Edward R T

    2016-08-01

    The asymmetric unit of the title compound, [Cd2(C12H10N2)3(C6H12NOS2)4]·4C2H3N, comprises a Cd(II) atom, two di-thio-carbamate (dtc) anions, one and a half trans-1,2-dipyridin-4-yl-ethyl-ene (bpe) mol-ecules and two aceto-nitrile solvent mol-ecules. The full binuclear complex is generated by the application of a centre of inversion. The dtc ligands are chelating, one bpe mol-ecule coordinates in a monodentate mode while the other is bidentate bridging. The resulting cis-N2S4 coordination geometry is based on an octa-hedron. Supra-molecular layers, sustained by hy-droxy-O-H⋯O(hy-droxy) and hy-droxy-O-H⋯N(bpe) hydrogen bonding, inter-penetrate to form a three-dimensional architecture; voids in this arrangement are occupied by the aceto-nitrile solvent mol-ecules. Additional inter-molecular inter-actions falling within the specified framework have been analysed by Hirshfeld surface analysis, including π-π inter-actions. PMID:27536388

  8. INHIBITION OF GROWTH AND INDUCTION OF APOPTOSIS IN HUMAN CANCER CELL LINES BY AN ETHYL ACETATE FRACTION FROM SHIITAKE MUSHROOMS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Shiitake mushrooms have been reported to have cancer preventing properties, and polysaccharides isolated from shiitake mushrooms are being used in some parts of the world as an adjuvant in cancer chemtherapy. However, little research has been conducted verifying the antitumor activities of "mycoche...

  9. Ethyl 2-(5-meth­oxy-2-methyl-1H-indol-3-yl)acetate

    PubMed Central

    Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.

    2013-01-01

    In the title compound, C14H17NO3, the nine-membered 1H-indole ring system is essentially planar [maximum deviation = 0.019 (1) Å]. In the crystal, mol­ecules are linked via N—H⋯O hydrogen bonds, forming chains along [001]. These chains are linked via C—H⋯O hydrogen bonds and C—H⋯π inter­actions, forming a two-dimensional network lying parallel to the ac plane. PMID:24109332

  10. Discovering Green, Aqueous Suzuki Coupling Reactions: Synthesis of Ethyl (4-Phenylphenyl)Acetate, a Biaryl with Anti-Arthritic Potential

    ERIC Educational Resources Information Center

    Costa, Nancy E.; Pelotte, Andrea L.; Simard, Joseph M.; Syvinski, Christopher A.; Deveau, Amy M.

    2012-01-01

    Suzuki couplings are powerful chemical reactions commonly employed in academic and industrial research settings to generate functionalized biaryls. We have developed and implemented a discovery-based, microscale experiment for the undergraduate organic chemistry laboratory that explores green Suzuki coupling using water as the primary solvent.…

  11. Measurements of Acetic Acid and its Relationships with Trace Gases on Appledore Island, ME during the ICARTT Campaign

    NASA Astrophysics Data System (ADS)

    Haase, K. B.; Sive, B. C.; White, M. L.; Russo, R. S.; Ambrose, J. L.; Zhou, Y.; Talbot, R. W.

    2011-12-01

    sources. Evidence of anthropogenic sources of acetic acid is shown by correlations with acetaldehyde, ethane, ethyne, dichloroethene, and carbon monoxide. Combustion emissions of carbon monoxide show the possibility of using carbon monoxide as tracer of acetic acid levels, yielding an enhancement ratio of 8.71 ± 0.54 pptv ppbv-1 of carbon monoxide. Acetic acid mixing ratios were also higher when acetonitrile mixing ratios were elevated, indicating contributions from a biomass combustion source. Mixing ratios of alkyl nitrates also trended with acetic acid at times, indicating periods when contributions from photochemical production and transport in aged air masses were likely. Major Funding: NOAA Office of Oceanic and Atmospheric Research under grant # NA04OAR4600154, and the USGS for the opportunity to present the data.

  12. Pyrazolylamidino ligands from coupling of acetonitrile and pyrazoles: a systematic study.

    PubMed

    Gómez-Iglesias, Patricia; Arroyo, Marta; Bajo, Sonia; Strohmann, Carsten; Miguel, Daniel; Villafañe, Fernando

    2014-12-01

    Mixed pyrazole-acetonitrile complexes, both neutral fac-[ReBr(CO)3(NCMe)(pz*H)] (pz*H = pzH, pyrazole; dmpzH, 3,5-dimethylpyrazole; or indzH, indazole) and cationic fac-[Re(CO)3(NCMe)(pz*H)2]A (A = BF4, ClO4, or OTf), are described. Their role as the only starting products to obtain final pyrazolylamidino complexes fac-[ReBr(CO)3(NH═C(Me)pz*-κ(2)N,N)] and fac-[Re(CO)3(pz*H)(NH═C(Me)pz*-κ(2)N,N)]A, respectively, is examined. Other products involved in the processes, such as fac-[ReBr(CO)3(pz*H)2], fac-[Re(CO)3(NCMe)(NH═C(Me)pz*-κ(2)N,N)]A, and fac-[Re(CO)3(pz*H)2(OTf)] are also described. Warming CD3CN solutions of fac-[Re(CO)3(NCMe)(pz*H)2]A at 40 °C gives cleanly the pyrazolylamidino complexes [Re(CO)3(pz*H)(NH═C(Me)pz*-κ(2)N,N)]A as the only products, pointing to an intramolecular process. This is confirmed by carrying out reactions in the presence of one equivalent of a pyrazole different from that coordinated, which affords complexes where the pyrazolylamidino ligand contains only the pyrazole previously coordinated. When the reactions lead to an equilibrium mixture of the final and starting products, the reverse reaction gives the same equilibrium mixture, which indicates that the coupling reaction of pyrazoles and nitriles to obtain pyrazolylamidino ligands is a reversible intramolecular process. A systematic study of the possible factors which may affect the reaction gives the following results: (a) the yields of the direct reactions are higher for lower temperatures; (b) the tendency of the pyrazoles to give pyrazolylamidino complexes follows the sequence indzH > pzH > dmpzH; and (c) the reaction rates do not depend on the nature of the anion even when a large excess is added. The presence of a small amount of aqueous solution of NaOH catalyzes the reaction. Thus, addition of 0.5-1% of NaOH (aq) to solutions of fac-[ReBr(CO)3(NCMe)(pz*H)] (in CD3CN) or fac-[Re(CO)3(NCMe)(pz*H)2]A (in CD3CN, CD3NO2 or (CD3)2CO) allowed the syntheses of the

  13. Clostridium thermosaccharolyticum strain deficient in acetate production

    SciTech Connect

    Rothstein, D.M.

    1986-01-01

    A mutant of Clostridium thermosaccharolyticum that is blocked in acetate production was isolated after treatment with nitrosoguanidine and selection for fluoroacetate resistance. The mutant produced more ethanol than the parent strain did.

  14. Acetate Causes Alcohol Hangover Headache in Rats

    PubMed Central

    Maxwell, Christina R.; Spangenberg, Rebecca Jay; Hoek, Jan B.; Silberstein, Stephen D.; Oshinsky, Michael L.

    2010-01-01

    Background The mechanism of veisalgia cephalgia or hangover headache is unknown. Despite a lack of mechanistic studies, there are a number of theories positing congeners, dehydration, or the ethanol metabolite acetaldehyde as causes of hangover headache. Methods We used a chronic headache model to examine how pure ethanol produces increased sensitivity for nociceptive behaviors in normally hydrated rats. Results Ethanol initially decreased sensitivity to mechanical stimuli on the face (analgesia), followed 4 to 6 hours later by inflammatory pain. Inhibiting alcohol dehydrogenase extended the analgesia whereas inhibiting aldehyde dehydrogenase decreased analgesia. Neither treatment had nociceptive effects. Direct administration of acetate increased nociceptive behaviors suggesting that acetate, not acetaldehyde, accumulation results in hangover-like hypersensitivity in our model. Since adenosine accumulation is a result of acetate formation, we administered an adenosine antagonist that blocked hypersensitivity. Discussion Our study shows that acetate contributes to hangover headache. These findings provide insight into the mechanism of hangover headache and the mechanism of headache induction. PMID:21209842

  15. Mafenide acetate allergy presenting as recurrent chondritis.

    PubMed

    Pickus, Evan J; Lionelli, Gerald T; Charles, E Woodall; Korentager, Richard A

    2002-02-01

    Acute chondritis has a strong predilection for recurrence. Mafenide acetate has been implicated in causing reactions that mimic this condition; however, these hypersensitivity reactions lack fever, fluctuance, and pain. The authors report a case of mafenide acetate allergy presenting as recurrent chondritis in a patient who had previously been treated successfully for this condition. In this patient, the allergic response resolved within 3 days after cessation of mafenide acetate. If unappreciated, it may have led to unnecessary operative intervention. Therefore, auricular edema and erythema, without fever, fluctuance, and pain, must be recognized by surgeons as a possible mafenide acetate allergy and must be considered in the differential diagnosis for patients who present with recurrent acute suppurative chondritis. PMID:11910229

  16. Catalytic Deprotection of Acetals In Strongly Basic Solution Usinga Self-Assembled Supramolecular 'Nanozyme'

    SciTech Connect

    Pluth, Michael D.; Bergman, Robert G.; Raymond, Kenneth N.

    2007-07-26

    Acetals are among the most commonly used protecting groups for aldehydes and ketones in organic synthesis due to their ease of installation and resistance to cleavage in neutral or basic solution.[1] The common methods for hydrolyzing acetals almost always involve the use of either Broensted acid or Lewis acid catalysts.[2] Usually aqueous acids or organic solutions acidified with organic or inorganic acids have been used for reconversion of the acetal functionality to the corresponding carbonyl group; however, recently a number of reports have documented a variety of strategies for acetal cleavage under mild conditions. These include the use of Lewis acids such as bismuth(III)[3] or cerium(IV),[4, 5] functionalized silica gel, such as silica sulfuric acid[6] or silica-supported pyridinium p-toluene sulfonate,[7] or the use of silicon-based reagents such as TESOTf-2,6-Lutidine.[8] Despite these mild reagents, all of the above conditions require either added acid or overall acidic media. Marko and co-workers recently reported the first example of acetal deprotection under mildly basic conditions using catalytic cerium ammonium nitrate at pH 8 in a water-acetonitrile solution.[5] Also recently, Rao and co-workers described a purely aqueous system at neutral pH for the deprotection of acetals using {beta}-cyclodextrin as the catalyst.[9] Herein, we report the hydrolysis of acetals in strongly basic aqueous solution using a self-assembled supramolecular host as the catalyst. During the last decade, we have used metal-ligand interactions for the formation of well-defined supramolecular assemblies with the stoichiometry M{sub 4}L{sub 6}6 (M = Ga{sup III} (1 refers to K{sub 12}[Ga{sub 4}L{sub 6}]), Al{sup III}, In{sup III}, Fe{sup III}, Ti{sup IV}, or Ge{sup IV}, L = N,N{prime}-bis(2,3-dihydroxybenzoyl)-1,5-diaminonaphthalene) (Figure 1).[10] The metal ions occupy the vertices of the tetrahedron and the bisbidentate catecholamide ligands span the edges. The strong

  17. Nomegestrol acetate/estradiol: in oral contraception.

    PubMed

    Yang, Lily P H; Plosker, Greg L

    2012-10-01

    Nomegestrol acetate/estradiol is a combined oral contraceptive with approval in many countries. This fixed-dose combination tablet contains nomegestrol acetate, a highly selective progestogen, and estradiol, a natural estrogen. It is the first monophasic combined oral contraceptive to contain estradiol, and is taken in 28-day cycles, consisting of 24 active therapy days with 4 placebo days (i.e. 24/4-day cycles). In two large, 1-year, randomized, open-label, multicentre, phase III trials in healthy adult women (aged 18-50 years), nomegestrol acetate/estradiol was at least as effective as drospirenone/ethinylestradiol as contraceptive therapy, as the pregnancy rates in women aged 18-35 years (primary efficacy population) in terms of the Pearl Index (primary endpoint) were numerically lower with nomegestrol acetate/estradiol, although the between-group difference was not statistically significant. In both trials, nomegestrol acetate/estradiol was given in a 24/4-day cycle, and drospirenone/ethinylestradiol was given in a 21/7-day cycle. The criteria for using condoms in case of forgotten doses were less stringent in the nomegestrol acetate/estradiol group than in the drospirenone/ethinylestradiol group. Nomegestrol acetate/estradiol therapy for up to 1 year was generally well tolerated in healthy adult women, with an acceptable tolerability profile in line with that expected for a combined oral contraceptive. The most commonly reported adverse events were acne and abnormal withdrawal bleeding (most often shorter, lighter or absent periods). Overall, compared with drospirenone/ethinylestradiol, nomegestrol acetate/estradiol appeared to be associated with less favourable acne-related outcomes, and shorter, lighter or absent periods. PMID:22950535

  18. Methanogenesis from acetate: a nonmethanogenic bacterium from an anaerobic acetate enrichment.

    PubMed

    Ward, D M; Mah, R A; Kaplan, I R

    1978-06-01

    A methanogenic acetate enrichment was initiated by inoculation of an acetate-mineral salts medium with domestic anaerobic digestor sludge and maintained by weekly transfer for 2 years. The enrichment culture contained a Methanosarcina and several obligately anaerobic nonmethanogenic bacteria. These latter organisms formed varying degrees of association with the Methanosarcina, ranging from the nutritionally fastidious gram-negative rod called the satellite bacterium to the nutritionally nonfastidious Eubacterium limosum. The satellite bacterium had growth requirements for amino acids, a peptide, a purine base, vitamin B12, and other B vitamins. Glucose, mannitol, starch, pyruvate, cysteine, lysine, leucine, isoleucine, arginine, and asparagine stimulated growth and hydrogen production. Acetate was neither incorporated nor metabolized by the satellite organism. Since acetate was the sole organic carbon source in the enrichment culture, organism(s) which metabolize acetate (such as the Methanosarcina) must produce substrates and growth factors for associated organisms which do not metabolize acetate. PMID:677881

  19. Analysis of sucrose acetates in a crude 6-O-acetyl sucrose product by on-line hydrolysis-high-performance liquid chromatography with pulsed amperometric detection.

    PubMed

    Yan, Wenwu; Wang, Nani; Zhang, Peimin; Zhang, Jiajie; Wu, Shuchao; Zhu, Yan

    2016-06-01

    A standard-free and sensitive method was developed for analysis of sucrose acetates in a crude 6-O-acetyl sucrose (S-6-a) product by on-line hydrolysis-high-performance liquid chromatography with pulsed amperometric detection (PAD). Sucrose, three regio-isomers of acetyl sucrose and five regio-isomers of diacetyl sucrose were separated on a C18 column using 3% (v/v) acetonitrile in water as eluent within 25min. After purification with LC followed by semi-preparative HPLC, their chemical structures were identified by 1D, 2D NMR and LC-MS. Moreover, quantification of those regio-isomers was achieved by on-line alkaline hydrolysis to liberate sucrose using a post-column delivery system, and then detected by PAD for indirect estimation of the sucrose acetate content. Under optimal conditions, the linear ranges were from 0.03 to 150μmolL(-1) for sucrose corresponding to sucrose acetates with coefficient of determination as 0.9997 and detection limit as 0.01μmolL(-1) (S/N=3). Good repeatability was obtained (RSD<3%, n=6). Furthermore, this method has been successfully applied to the analysis of sucrose and sucrose acetates in a crude S-6-a product during synthesis, purification and structure elucidation studies. The recoveries were from 94.89% to 102.31% for sucrose and sucrose acetates. PMID:27139218

  20. Validation (in-house and collaboratory) of the quantification method for ethyl carbamate in alcoholic beverages and soy sauce by GC-MS.

    PubMed

    Huang, Zhu; Pan, Xiao-Dong; Wu, Ping-Gu; Chen, Qing; Han, Jian-Long; Shen, Xiang-Hong

    2013-12-15

    A method for ethyl carbamate (EC) determination in alcoholic beverages and soy sauce was developed by GC-MS. We adopted the diatomaceous earth solid-phase extraction (SPE) column and elution solvent of ethyl acetate/diethyl ether (5:95 v/v) for sample cleaning. The in-house validation showed the limit of quantification (LOQ) was 5.0 μg/kg. In the accuracy assay, the total average recovery for was 96.7%. The relative standard deviations (RSDs) were <5%. Subsequently, a collaborative trial was organized for the further validation. The RSDs for repeatability and reproducibility were 1.2-7.8% and 2.3-9.6% respectively. It indicated that the present method performed well in different laboratories. PMID:23993600

  1. Vapor-phase esterification of acetic acid with ethanol catalyzed by a macroporous sulfonated styrene-divinylbenzene (20%) resin

    SciTech Connect

    Gimenez, J.; Costa, J.; Cervera, S.

    1987-02-01

    The kinetics of the vapor-phase (85-120/sup 0/C) esterification of acetic acid with ethyl alcohol, at atmospheric pressure, catalyzed by a macroporous sulfonated styrene-divinylbenzene (DVB;20%) resin, has been studied. A simple first-order model (r = kp/sub 1/) fits experimental kinetic data properly for a constant reactants ratio. Discussion by means of L-H-H-W models shows that the rate-controlling step is the surface reaction with a single-site mechanism. The apparent activation energy is 4000 cal/mol.

  2. Electrolyte Solvation and Ionic Association. V. Acetonitrile-Lithium Bis(fluorosulfonyl)imide (LiFSI) Mixtures

    SciTech Connect

    Han, Sang D.; Borodin, Oleg; Seo, D. M.; Zhou, Zhi B.; Henderson, Wesley A.

    2014-09-30

    Electrolytes with the salt lithium bis(fluorosulfonyl)imide (LiFSI) have been evaluated relative to comparable electrolytes with other lithium salts. Acetonitrile (AN) has been used as a model electrolyte solvent. The information obtained from the thermal phase behavior, solvation/ionic association interactions, quantum chemical (QC) calculations and molecular dynamics (MD) simulations (with an APPLE&P many-body polarizable force field for the LiFSI salt) of the (AN)n-LiFSI mixtures provides detailed insight into the coordination interactions of the FSI- anions and the wide variability noted in the electrolyte transport property (i.e., viscosity and ionic conductivity).

  3. Antinociceptive Effect of Tephrosia sinapou Extract in the Acetic Acid, Phenyl-p-benzoquinone, Formalin, and Complete Freund's Adjuvant Models of Overt Pain-Like Behavior in Mice

    PubMed Central

    Martinez, Renata M.; Zarpelon, Ana C.; Domiciano, Talita P.; Georgetti, Sandra R.; Baracat, Marcela M.; Moreira, Isabel C.; Andrei, Cesar C.; Verri, Waldiceu A.; Casagrande, Rubia

    2016-01-01

    Tephrosia toxicaria, which is currently known as Tephrosia sinapou (Buc'hoz) A. Chev. (Fabaceae), is a source of compounds such as flavonoids. T. sinapou has been used in Amazonian countries traditional medicine to alleviate pain and inflammation. The purpose of this study was to evaluate the analgesic effects of T. sinapou ethyl acetate extract in overt pain-like behavior models in mice by using writhing response and flinching/licking tests. We demonstrated in this study that T. sinapou extract inhibited, in a dose (1–100 mg/kg) dependent manner, acetic acid- and phenyl-p-benzoquinone- (PBQ-) induced writhing response. Furthermore, it was active via intraperitoneal, subcutaneous, and peroral routes of administration. T. sinapou extract also inhibited formalin- and complete Freund's adjuvant- (CFA-) induced flinching/licking at 100 mg/kg dose. In conclusion, these findings demonstrate that T. sinapou ethyl acetate extract reduces inflammatory pain in the acetic acid, PBQ, formalin, and CFA models of overt pain-like behavior. Therefore, the potential of analgesic activity of T. sinapou indicates that it deserves further investigation. PMID:27293981

  4. Adrenocortical suppression in cats given megestrol acetate.

    PubMed

    Chastain, C B; Graham, C L; Nichols, C E

    1981-12-01

    Megestrol acetate was given orally to 8 cats at a dose of 2.5 mg every other day for 2 weeks and to 8 cats at a dose of 5.0 mg every day for 2 weeks. Four cats were designated nontreated controls. Pre-ACTH-stimulated plasma concentrations of cortisol (hydrocortisone) and ACTH-stimulated cortisol and tolerance to large-dose glucose infusion (IV) were determined on each of the 20 cats given megestrol acetate. Cats were restrained with acepromazine maleate and ketamine hydrochloride during blood sample collection and large-dose glucose infusion. Adrenocortical function and tolerance to large-dose glucose infusion were reevaluated for 4 weeks--after 1st and 2nd weeks of megestrol acetate treatment of the treated groups, and after 1st and 2nd weeks when treatment was stopped (ie, experiment weeks 3 and 4). Each week a cat from the control group and 2 cats from the 2 treated groups were selected to determine the changes occurring during the experiment for that week; after collection of plasma samples, each week's 5 selected cats were euthanatized and necropsied. Significant impairment of adrenocortical function and alteration of adrenocortical morphology occurred with both treated groups. The most severe adrenocortical alterations occurred in the cats 1 week after megestrol acetate was no longer given (ie, experiment week 3). Megestrol acetate-induced adrenocortical suppression contributed to the death of 1 cat. It was concluded that if stress occurs to cats on treatment or soon after treatment with megestrol acetate, glucocorticoids should be supplemented. The effects of megestrol acetate on glucose tolerance were overshadowed by the unforeseen intolerance caused by chemical restraint with acepromazine maleate and ketamine hydrochloride. PMID:6280517

  5. Acetate Transport and Utilization in the Rat Brain

    PubMed Central

    Deelchand, Dinesh K.; Shestov, Alexander A.; Koski, Dee M.; Uğurbil, Kâmil; Henry, Pierre-Gilles

    2009-01-01

    Acetate, a glial-specific substrate, is an attractive alternative to glucose for the study of neuronal-glial interactions. The present study investigates the kinetics of acetate uptake and utilization in the rat brain in vivo during infusion of [2-13C]acetate using NMR spectroscopy. When plasma acetate concentration was increased, the rate of brain acetate utilization (CMRace) increased progressively and reached close to saturation for plasma acetate concentration > 2-3 mM, whereas brain acetate concentration continued to increase. The Michaelis-Menten constant for brain acetate utilization ( KMutil=0.01±0.14mM) was much smaller than for acetate transport through the blood-brain barrier ( KMt=4.18±0.83mM). The maximum transport capacity of acetate through the blood-brain barrier ( Vmaxt=0.96±0.18μmol/g/min) was nearly two-fold higher than the maximum rate of brain acetate utilization ( Vmaxutil=0.50±0.08μmol/g/min). We conclude that, under our experimental conditions, brain acetate utilization is saturated when plasma acetate concentrations increase above 2-3 mM. At such high plasma acetate concentration, the rate-limiting step for glial acetate metabolism is not the blood-brain barrier, but occurs after entry of acetate into the brain. PMID:19393008

  6. On-column nitrosation of amines observed in liquid chromatography impurity separations employing ammonium hydroxide and acetonitrile as mobile phase.

    PubMed

    Myers, David P; Hetrick, Evan M; Liang, Zhongming; Hadden, Chad E; Bandy, Steven; Kemp, Craig A; Harris, Thomas M; Baertschi, Steven W

    2013-12-01

    The availability of high performance liquid chromatography (HPLC) columns capable of operation at pH values up to 12 has allowed a greater selectivity space to be explored for method development in pharmaceutical analysis. Ammonium hydroxide is of particular value in the mobile phase because it is compatible with direct interfacing to electrospray mass spectrometers. This paper reports an unexpected N-nitrosation reaction that occurs with analytes containing primary and secondary amines when ammonium hydroxide is used to achieve the high pH and acetonitrile is used as the organic modifier. The nitrosation reaction has generality. It has been observed on multiple columns from different vendors and with multiple amine-containing analytes. Ammonia was established to be the source of the nitroso nitrogen. The stainless steel column frit and metal ablated from the frit have been shown to be the sites of the reactions. The process is initiated by removal of the chromium oxide protective film from the stainless steel by acetonitrile. It is hypothesized that the highly active, freshly exposed metals catalyze room temperature oxidation of ammonia to NO but that the actual nitrosating agent is likely N(2)O(3). PMID:24182763

  7. Isomerization and fragmentation of acetonitrile upon interaction with N(4S) atoms: the chemistry of nitrogen in dense molecular clouds

    NASA Astrophysics Data System (ADS)

    Mencos, Alejandro; Krim, Lahouari

    2016-08-01

    We experimentally show that the reaction between ground state nitrogen atoms N(4S) and acetonitrile CH3CN can lead to two distinct chemical pathways that are both thermally activated at very low temperatures. First is CH3CN isomerization which produces CH3NC and H2CCNH. Second is CH3CN decomposition which produces HNC and CH3CNH+CN- fragments, with the possible release of H2. Our results reveal that the mobility of N(4S)-atoms is stimulated in the 3-11 K temperature range, and that its subsequent encounter with one acetonitrile molecule is sufficient for the aforementioned reactions to occur without the need for additional energy to be supplied to the CH3CN + N(4S) system. These findings shed more light on the nitrogen chemistry that can possibly take place in dense molecular clouds, which until now was thought to only involve high-energy processes and therefore be unlikely to occur in such cold and dark interstellar regions. The reaction pathways we propose in this study have very important astrochemical implications, as it was shown recently that the atomic nitrogen might be more abundant, in many interstellar icy grain mantles, than previously thought. Also, these reaction pathways can now be considered within dense molecular clouds, and possibly affect the branching ratios for N-bearing molecules computed in astrochemical modelling.

  8. Structure of and hydrogen bonding in a 3:2 inclusion compound of N-methylmorpholine betaine hydrochloride with acetonitrile

    NASA Astrophysics Data System (ADS)

    Dega-Szafran, Z.; Szafran, M.; Antkowiak, A.; Grundwald-Wyspianska, M.; Nowak, E.; Gdaniec, M.; Kosturkiewicz, Z.

    2002-03-01

    N-Methylmorpholine betaine hydrochloride (MMB·HCl) forms a 3:2 inclusion compound with acetonitrile. The crystal structure of the compound has been determined at 100 K from a twinned crystal to be trigonal with the space group Poverline3; a= b=16.767(2), c=6.996(1) Å, γ=120°. The host framework is constructed from the ionic pairs formed by the chlorine anion and the protonated, at the carboxylate group, betaine cation. The cation and anion are joined by the O-H⋯Cl - hydrogen bond of the length 2.974(2) Å and angle 173(3)°. The guest molecules are included in two kinds of channels formed in the host matrix. The narrow channel runs parallel to the z axis at x=2/3, y=1/3 and is filled with acetonitrile molecules situated at the three-fold axis. The second channel, also parallel to the z axis, joins large cavities with the center at 0,0,1/2 of overline3 symmetry. The cavity accommodates two guest molecules which exhibit disorder in the crystal. There are only van der Waals interactions between the host and the guest. FTIR spectra of MMB·HCl and its deuterated analog have been discussed.

  9. Infrared spectra and structure of isomeric (cyanophenyl)acetonitriles and their carbanions: an ab initio force field treatment

    NASA Astrophysics Data System (ADS)

    Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Radomirska, V. B.; Juchnovski, I. N.

    1996-05-01

    The structures of o-, m- and p-(cyanophenyl)acetonitrile molecules and their carbanions were studied on the basis of infrared spectroscopic data and ab initio force field calculations. The assignment was given for the 3100-1100 cm -1 bands of the substances studied. The scaled theoretical infrared band frequencies agree well with those measured experimentally. An excellent linear correlation ( R = 0.999) was found between the theoretical and experimental vCN frequencies of both molecules and carbanions. The calculations predict well the strong increase in intensity (1.5- to 70-fold) of the vCN, v8 and v19 bands, which accompanies the conversion of the isomeric (cyanophenyl)acetonitrile molecules into the corresponding carbanions. The structures of the lithium, sodium and potassium derivatives of the nitriles studied in dimethyl sulphoxide are close to those of the kinetically free carbanions. The carbanionic centres are practically planar; the cyano groups carry considerable negative charges, but their influences on the carbanionic centres are mainly inductive. The carbanionic charges are delocalized over the phenylene rings (0.35-0.40 e-), methide (0.22-0.29 e-), α-cyano (0.24-0.27 e-) and ring-cyano (0.08-0.14 e-) groups.

  10. Direct Determination of Equilibrium Potentials for Hydrogen Oxidation/Production by Open Circuit Potential Measurements in Acetonitrile

    SciTech Connect

    Roberts, John A. S.; Bullock, R. Morris

    2013-04-01

    Open circuit potentials were measured for acetonitrile solutions of a variety of acids and their conjugate bases under 1 atm H2. Acids examined were triethylammonium, dimethylformamidium, 2,6-dichloroanilinium, 4-cyanoanilinium, 4-bromoanilinium, and 4-anisidinium salts. These potentials, along with the pKa values of the acids, establish the value of the standard hydrogen electrode (SHE) potential in acetonitrile as -0.028(4) V vs the ferrocenium/ferrocene couple. Dimethylformamidium forms homoconjugates and other aggregates with dimethylformamide; open circuit potentials (OCPs) were used to quantify the extent of these reactions. Overpotentials for electrocatalytic hydrogen production and oxidation were determined from open circuit potentials and voltammograms of acidic or basic catalyst solutions under H2. For these solutions, agreement between OCP values and potentials calculated using the Nernst equation is within 12 mV. Finally, use of the measured equilibrium potential allows direct comparison of catalytic systems in different media; it requires neither pKa values, homoconjugation constants, nor the SHE potential.

  11. Tested Demonstrations: Buffer Capacity of Various Acetic Acid-Sodium Acetate Systems: A Lecture Experiment.

    ERIC Educational Resources Information Center

    Donahue, Craig J.; Panek, Mary G.

    1985-01-01

    Background information and procedures are provided for a lecture experiment which uses indicators to illustrate the concept of differing buffer capacities by titrating acetic acid/sodium acetate buffers with 1.0 molar hydrochloric acid and 1.0 molar sodium hydroxide. A table with data used to plot the titration curve is included. (JN)

  12. Acetylation of Starch with Vinyl Acetate in Imidazolium Ionic Liquids and Characterization of Acetate Distribution

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Starch was acetylated with vinyl acetate in different 1-butyl-3-methylimidazolium (BMIM) salts as solvent in effort to produce starches with different acetylation patterns. Overall degree of substitution was much higher for basic anions such as acetate and dicyanimide (dca) than for neutral anions ...

  13. 40 CFR 721.10001 - 2-Ethoxyethanol, 2-ethoxyethanol acetate, 2-methoxyethanol, and 2-methoxyethanol acetate.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... new uses subject to reporting. (1) The chemical substances identified as 2-ethoxyethanol (CAS No. 110-80-5), 2-ethoxyethanol acetate (CAS No. 111-15-9), 2-methoxyethanol (CAS No. 109-86-4), and 2-methoxyethanol acetate (CAS No. 110-49-6) are subject to reporting under this section for the significant new...

  14. 40 CFR 721.10001 - 2-Ethoxyethanol, 2-ethoxyethanol acetate, 2-methoxyethanol, and 2-methoxyethanol acetate.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... new uses subject to reporting. (1) The chemical substances identified as 2-ethoxyethanol (CAS No. 110-80-5), 2-ethoxyethanol acetate (CAS No. 111-15-9), 2-methoxyethanol (CAS No. 109-86-4), and 2-methoxyethanol acetate (CAS No. 110-49-6) are subject to reporting under this section for the significant new...

  15. [Formation of ethyl carbamate in umeshu (plum liqueur)].

    PubMed

    Suzuki, K; Kamimura, H; Ibe, A; Tabata, S; Yasuda, K; Nishijima, M

    2001-12-01

    Samples of umeshu, a Japanese plum liqueur made from unripe plums, shochu and crystal sugar, were stored under fluorescent light, in the dark and in the refrigerator. The amount of ethyl carbamate formed in umeshu exposed to light or room temperature was larger than that in the dark or at low temperature. The amount of ethyl carbamate formed in umeshu to which cyanide had been added was larger than that in the absence of added cyanide. Thus, the amount of ethyl carbamate formed in the umeshu was increased by not only light and higher temperature, but also cyanide. Samples of model alcoholic beverages were stored under various conditions using red, yellow and blue cellophanes. The amount of ethyl carbamate formed in the model alcoholic beverage with blue cellophane was larger than in the cases of red and yellow cellophanes. It was found that the amount of ethyl carbamate formed in the model alcoholic beverage was increased by light in the wavelength range of 375-475 nm. PMID:11875819

  16. Zn(II) and Cu(II) complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione.

    PubMed

    Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin

    2013-07-01

    A new 1,3,4-oxadiazole-containing bispyridyl ligand, namely 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione (L), has been used to create the novel complexes tetranitratobis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione}zinc(II), [Zn2(NO3)4(C14H12N4OS)2], (I), and catena-poly[[[dinitratocopper(II)]-bis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3H)-thione}] nitrate acetonitrile sesquisolvate dichloromethane sesquisolvate], {[Cu(NO3)(C14H12N4OS)2]NO3·1.5CH3CN·1.5CH2Cl2}n, (II). Compound (I) presents a distorted rectangular centrosymmetric Zn2L2 ring (dimensions 9.56 × 7.06 Å), where each Zn(II) centre lies in a {ZnN2O4} coordination environment. These binuclear zinc metallocycles are linked into a two-dimensional network through nonclassical C-H···O hydrogen bonds. The resulting sheets lie parallel to the ac plane. Compound (II), which crystallizes as a nonmerohedral twin, is a coordination polymer with double chains of Cu(II) centres linked by bridging L ligands, propagating parallel to the crystallographic a axis. The Cu(II) centres adopt a distorted square-pyramidal CuN4O coordination environment with apical O atoms. The chains in (II) are interlinked via two kinds of π-π stacking interactions along [0-11]. In addition, the structure of (II) contains channels parallel to the crystallographic a direction. The guest components in these channels consist of dichloromethane and acetonitrile solvent molecules and uncoordinated nitrate anions. PMID:23832028

  17. Development and characterization of poly(1-vinylpyrrolidone-co-vinyl acetate) copolymer based polymer electrolytes.

    PubMed

    Sa'adun, Nurul Nadiah; Subramaniam, Ramesh; Kasi, Ramesh

    2014-01-01

    Gel polymer electrolytes (GPEs) are developed using poly(1-vinylpyrrolidone-co-vinyl acetate) [P(VP-co-VAc)] as the host polymer, lithium bis(trifluoromethane) sulfonimide [LiTFSI] as the lithium salt and ionic liquid, and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide [EMImTFSI] by using solution casting technique. The effect of ionic liquid on ionic conductivity is studied and the optimum ionic conductivity at room temperature is found to be 2.14 × 10(-6) S cm(-1) for sample containing 25 wt% of EMImTFSI. The temperature dependence of ionic conductivity from 303 K to 353 K exhibits Arrhenius plot behaviour. The thermal stability of the polymer electrolyte system is studied by using thermogravimetric analysis (TGA) while the structural and morphological properties of the polymer electrolyte is studied by using Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction analysis (XRD), respectively. PMID:25431781

  18. Chemistry of enol ethers. LXXVII. Synthesis of acetals of phenyl-substituted glutaconaldehydes

    SciTech Connect

    Makin, S.M.; Kruglikova, R.I.; Lonina, N.N.

    1987-10-10

    The condensation of the acetals of acetophenone and acetaldehyde with enol ethers, as a result of which 2- and 3-phenyl-1,1,3-trialkoxybutanes were obtained, was studied. The acid hydrolysis of the products leads to the formation of 2- and 3-phenylbutenals, from which 2- and 3-phenyl-1-trimethylsilyloxy-1,3-butadienes were obtained by the action of trimethylchlorosilane and triethylamine. The reaction of the silyloxydienes with ethyl orthoformate in the presence of zinc chloride as catalyst gave the monoacetals of ..cap alpha..- and ..beta..-phenylglutaconaldehydes, which were converted into the corresponding bisacetals by the further action of the orthoformate. The /sup 1/H NMR spectra of 50% solutions of the substances being analyzed in deuterochloroform or deuteroacetone were recorded on Bruker WH-90 and Bruker WM-250 instruments at 90 and 250 MHz respectively.

  19. Megestrol acetate for treatment of endometriosis.

    PubMed

    Schlaff, W D; Dugoff, L; Damewood, M D; Rock, J A

    1990-04-01

    Between 1977-1989, 29 women with symptomatic endometriosis were treated with megestrol acetate by the Johns Hopkins Division of Reproductive Endocrinology. All had previously received one or more alternative medical treatments for endometriosis, in each case discontinued because of poor response or development of unacceptable side effects. Treatment consisted of a daily dose of 40 mg megestrol acetate orally for up to 24 months. Disease-related symptoms (dysmenorrhea, noncyclic pelvic pain, and dyspareunia) were relieved in 86% of the subjects treated with an adequate course of therapy. Side effects were fairly well tolerated, although eight women discontinued treatment within 2 months and two others stopped the drug by 4 months. These preliminary findings suggest that megestrol acetate may be an effective treatment for patients with endometriosis, even those who have been unresponsive to other modes of therapy. PMID:2314784

  20. Experimental and theoretical study of urea and thiourea based new colorimetric chemosensor for fluoride and acetate ions

    NASA Astrophysics Data System (ADS)

    Saikia, Eramoni; Borpuzari, Manash Protim; Chetia, Bolin; Kar, Rahul

    2016-01-01

    Two new anion receptors 1,1-(4-nitro-1,2-phenylene) bis(3-phenylurea) (1) and 1,1-(4-nitro-1,2-phenylene) bis(3-phenylthiourea) (2) have been reported here. The binding and colorimetric sensing properties of receptors 1 and 2 with different anions were investigated by naked-eye, 1H-NMR and UV-Vis spectroscopy. They showed effective and selective binding with two biologically important anions F- and CH3COO-, in presence of other anions, such as Cl-, Br-, I-, NO2-, ClO4-, HSO4-, H2PO4-, N3-, CN- in acetonitrile. The relative binding mode of fluoride and acetate anions towards receptors 1 and 2 were studied using density functional theory (DFT), in gas phase and in acetonitrile solvent. Computational studies revealed that receptor 1 formed complexes by two intermolecular hydrogen bonds while receptor 2 by three intermolecular hydrogen bonds. In addition, time dependent DFT (TD-DFT) calculations qualitatively match the experimental UV-Vis spectra.

  1. NEW GROUND-STATE MEASUREMENTS OF ETHYL CYANIDE

    SciTech Connect

    Brauer, Carolyn S.; Pearson, John C.; Drouin, Brian J.; Yu, Shanshan

    2009-09-01

    The spectrum of ethyl cyanide, or propionitrile (CH{sub 3}CH{sub 2}CN), has been repeatedly observed in the interstellar medium with large column densities and surprisingly high temperatures in hot core sources. The construction of new, more sensitive, observatories accessing higher frequencies such as Herschel, ALMA, and SOFIA have made it important to extend the laboratory data for ethyl cyanide to coincide with the capabilities of the new instruments. We report extensions of the laboratory measurements of the rotational spectrum of ethyl cyanide in its ground vibrational state to 1.6 THz. A global analysis of the ground state, which includes all of the previous data and 3356 newly assigned transitions, has been fitted to within experimental error to J = 132, K = 36, using both Watson A-reduced and Watson S-reduced Hamiltonians.

  2. Nitrosamine-induced carcinogenesis. The alkylation of N-7 of guanine of nucleic acids of the rat by diethylnitrosamine, N-ethyl-N-nitrosourea and ethyl methanesulphonate

    PubMed Central

    Swann, P. F.; Magee, P. N.

    1971-01-01

    1. The extent of ethylation of N-7 of guanine in the nucleic acids of rat tissue in vivo by diethylnitrosamine, N-ethyl-N-nitrosourea and ethyl methanesulphonate was measured. 2. All compounds produced measurable amounts of 7-ethyl-guanine. 3. A single dose of diethylnitrosamine or N-ethyl-N-nitrosourea produced tumours of the kidney in the rat. Three doses of ethyl methanesulphonate produced kidney tumours, but a single dose did not. 4. A single dose of diethylnitrosamine produced twice as much ethylation of N-7 of guanine in DNA of kidney as did N-ethyl-N-nitrosourea. A single dose of both compounds induced kidney tumours, although of a different histological type. 5. A single dose of ethyl methanesulphonate produced ten times as much ethylation of N-7 of guanine in kidney DNA as did N-ethyl-N-nitrosourea without producing tumours. 6. The relevance of these findings to the hypothesis that alkylation of a cellular component is the mechanism of induction of tumours by nitroso compounds is discussed. PMID:5145908

  3. Distribution of pesticides in n-hexane/water and n-hexane/acetonitrile systems and estimation of possibilities of their extraction isolation and preconcentration from various matrices.

    PubMed

    Zayats, M F; Leschev, S M; Petrashkevich, N V; Zayats, M A; Kadenczki, L; Szitás, R; Szemán Dobrik, H; Keresztény, N

    2013-04-24

    Distribution of 150 most widely used pesticides of different chemical classes (amides, anilinopirimidines, aromatics, benzenesulfonates, carbamates, dicarboximides, organophosphorus compounds, phenyl esters, phenylureas, pyrazoles, pyrethroids, pyrimidines, strobilurins, sulfamides, triazines, triazoles, etc.) in n-hexane/water and n-hexane/acetonitrile systems was investigated at 25°C. Distribution constants of pesticides (P) have been calculated as ratio of pesticide concentration in n-hexane to its concentration in water or acetonitrile phase. HPLC and GC methods were used for pesticides determination in phases. It was found that the overwhelming majority of pesticides are hydrophobic, i.e. in n-hexane/water system LgP≫0, and the difference in LgP values can reach 9.1 units. Replacement of water for acetonitrile leads to dramatic fall of LgP values reaching 9.5 units. The majority of LgP values in this case are negative and their differences is strongly leveled in comparison with a hexane/water system. Thus, maximal difference in pesticides LgP values for n-hexane/acetonitrile system is 3.2 units. It is shown that n-hexane can be used for selective and efficient extraction and preconcentration of pesticides from water matrices. On the other hand, acetonitrile is effective for the isolation and preconcentration of pesticides from hydrocarbon and vegetable oil matrices. The distribution constants described in the paper may be effectively used for the estimation of possibilities of extraction isolation, preconcentration and separation of pesticides. PMID:23567114

  4. Assistance of ethyl glucuronide and ethyl sulfate in the interpretation of postmortem ethanol findings.

    PubMed

    Krabseth, Hege; Mørland, Jørg; Høiseth, Gudrun

    2014-09-01

    Postmortem ethanol formation is a well-known problem in forensic toxicology. The aim of this study was to interpret findings of ethanol in blood, in a large collection of forensic autopsy cases, by use of the nonoxidative ethanol metabolites, ethyl glucuronide (EtG), and ethyl sulfate (EtS). In this study, according to previously published literature, antemortem ethanol ingestion was excluded in EtS-negative cases. Among 493 ethanol-positive forensic autopsy cases, collected during the study period, EtS was not detected in 60 (12 %) of the cases. Among cases with a blood alcohol concentration (BAC) of ≤ 0.54 g/kg, antemortem ethanol ingestion was excluded in 38 % of the cases, while among cases with a BAC of ≥ 0.55 g/kg, antemortem ethanol ingestion was excluded in 2.2 % of the cases. For all cases where ethanol was measured at a concentration >1.0 g/kg, EtS was detected. The highest blood ethanol concentration in which EtS was not detected was 1.0 g/kg. The median concentrations of EtG and EtS in blood were 9.5 μmol/L (range: not detected (n.d.) 618.1) and 9.2 μmol/L (range: n.d. 182.5), respectively. There was a statistically significant positive correlation between concentration levels of ethanol and of EtG (Spearman's rho=0.671, p<0.001) and EtS (Spearman's rho=0.670, p<0.001), respectively. In conclusion, this study showed that in a large number of ethanol-positive forensic autopsy cases, ethanol was not ingested before the time of death, particularly among cases where ethanol was present in lower blood concentrations. Routine measurement of EtG and EtS should therefore be recommended, especially in cases with BAC below 1 g/kg. PMID:24935750

  5. Blood kinetics of ethyl glucuronide and ethyl sulphate in heavy drinkers during alcohol detoxification.

    PubMed

    Høiseth, Gudrun; Morini, Luca; Polettini, Aldo; Christophersen, Asbjørg; Mørland, Jørg

    2009-07-01

    Studies of ethyl glucuronide (EtG) blood kinetics have so far been performed on healthy volunteers with ingestion of low to moderate doses of ethanol. These data are not necessarily transferable to heavy drinkers where the consumed doses of ethanol are much higher. The aim of this study was to investigate the pharmacokinetics of EtG and ethyl sulphate (EtS) in blood in heavy drinkers after termination of alcohol ingestion. Sixteen patients from an alcohol withdrawal clinic were included directly after admission. Time of end of drinking, estimated daily intake of ethanol (EDI) and medical history were recorded. Three to five blood samples over 20-43 h were collected from each patient subsequent to admission. The median EDI was 172 g (range 60-564). The first sample was collected median 2.5 h after end of drinking (range 0.5-23.5). Two patients had levels of EtG and EtS below LOQ in all samples, the first collected 19.25 and 23.5 h after cessation of drinking, respectively. Of the remaining 14 patients, one subject, suffering from both renal and hepatic disease, showed concentrations of EtG and EtS substantially higher than the rest of the material. This patient's initial value of EtG was 17.9 mg/L and of EtS 5.9 mg/L, with terminal elimination half lives of 11.9 h for EtG and 12.5 h for EtS. Among the remaining 13 patients, the initial median values were 0.7 g/L (range 0-3.7) for ethanol, 1.7 mg/L (range 0.1-5.9) for EtG and 0.9 mg/L (range 0.1-1.9) for EtS. Elimination occurred with a median half-life of 3.3 h for EtG (range 2.6-4.3) and 3.6 h for EtS (range 2.7-5.4). In conclusion, elimination of EtG in heavy drinkers did not significantly differ from healthy volunteers, and EtS appeared to have similar elimination rate. In the present work, there was one exception to this, and we propose that this could be explained by the patient's renal disease, which would delay excretion of these conjugated metabolites. PMID:19395207

  6. Bacillus coagulans tolerance to 1-ethyl-3-methylimidazolium-based ionic liquids in aqueous and solid-state thermophilic culture.

    PubMed

    Simmons, Christopher W; Reddy, Amitha P; Vandergheynst, Jean S; Simmons, Blake A; Singer, Steven W

    2014-01-01

    The use of ionic liquids (ILs) to disrupt the recalcitrant structure of lignocellulose and make polysaccharides accessible to hydrolytic enzymes is an emerging technology for biomass pretreatment in lignocellulosic biofuel production. Despite efforts to reclaim and recycle IL from pretreated biomass, residual IL can be inhibitory to microorganisms used for downstream fermentation. As a result, pathways for IL tolerance are needed to improve the activity of fermentative organisms in the presence of IL. In this study, microbial communities from compost were cultured under high-solids and thermophilic conditions in the presence of 1-ethyl-3-methylimidazolium-based ILs to enrich for IL-tolerant microorganisms. A strain of Bacillus coagulans isolated from an IL-tolerant community was grown in liquid and solid-state culture in the presence of the ILs 1-ethyl-3-methylimidazolium acetate ([C2mim][OAc]) or 1-ethyl-3-methylimidazolium chloride ([C2mim][Cl]) to gauge IL tolerance. Viability and respiration varied with the concentration of IL applied and the type of IL used. B. coagulans maintained growth and respiration in the presence of 4 wt% IL, a concentration similar to that present on IL-pretreated biomass. In the presence of both [C2mim][OAc] and [C2mim][Cl] in liquid culture, B. coagulans grew at a rate approximately half that observed in the absence of IL. However, in solid-state culture, the bacteria were significantly more tolerant to [C2mim][Cl] compared with [C2mim][OAc]. B. coagulans tolerance to IL under industrially relevant conditions makes it a promising bacterium for understanding mechanisms of IL tolerance and discovering IL tolerance pathways for use in other microorganisms, particularly those used in bioconversion of IL-pretreated plant biomass. PMID:24376258

  7. Sources of propionate for the biogenesis of ethyl-braced insect juvenile hormones: role of isoleucine and valine

    SciTech Connect

    Brindle, P.A.; Baker, F.C.; Tsai, L.W.; Reuter, C.C.; Schooley, D.A.

    1987-11-01

    Corpora allata from adult female Manduca sexta biosynthesis the sesquiterpenoid juvenile hormone (JH) III and the unusual ethyl-branched homologue JH II in vitro. The authors maintained corpora allata in medium 199 using (methyl-/sup 3/H)methionine as the source of the JH methyl ester moiety and as a mass marker. This allowed measurement of the relative contributions of /sup 14/C-labeled precursors to the biogenesis of JH II and III carbon skeletons. They showed efficient incorporation of a propionate equivalent, from isoleucine or valine catabolism, into the ethyl-branched portion of JH II, using double-label liquid scintillation counting of isolated JHs and gas chromatography/mass spectrometry with selected ion monitoring of JH deuteromethoxyhydrin derivatives. Methionine was a poor source of propionate for JH II biosynthesis, while glucose, succinate, threonine, and ..beta..-alanine did not contribute propionate at all. Leucine, isoleucine, and glucose incorporated into JH III and the acetate-derivative portion of JH II.

  8. Determination of the antihypertensive drug 1-[2-ethoxy-2-(3'-pyridyl)ethyl]-4-(2'-methoxyphenyl) piperazine (IP/66) in rat and human plasma by high-performance liquid chromatography and isotope dilution mass spectrometry.

    PubMed

    Agostini, O; Moneti, G; Bonacchi, G; Fedi, M; Manzini, S

    1989-02-24

    In connection with pharmacokinetic studies on the antihypertensive drug 1-[2-ethoxy-2-(3'-pyridyl)ethyl]-4-(2'-methoxyphenyl)piperazine (IP/66) (I), appropriate high-performance liquid chromatographic (HPLC) and gas chromatographic-mass spectrometric isotope dilution (GC-MS-ID) methods for its determination in rat and human plasma, respectively, were developed. In both techniques, deproteinized and basified plasma samples were extracted and purified by adsorption on an Extrelut-1 column, then the drug was eluted with dichloromethane. Quantitative HPLC analysis was performed on a C8 reversed-phase column. The mobile phase was phosphate buffer (0.02 M, pH 2.8)-acetonitrile (65:35), with UV detection at 208 nm. The internal standard was 1-[2-butoxy-2-(3'-pyridyl)ethyl]-4-(2'-methoxyphenyl)piperazine, a homologue of I. The inter-assay coefficient of variation (C.V.) was 9.9% for a drug level of 2 micrograms/ml. Quantitative GC-MS-ID analysis was performed with a DB-17 fused-silica capillary column using the selected-ion monitoring technique. The deuterated form of I, 1-[2-ethoxy-2-(3'-pyridyl)ethyl]-4-2'-trideuteromethoxyphenyl)pipe razine, utilized as internal standard, was synthesized. The inter-assay C.V. was 7.36% for a drug level of 1 ng/ml. PMID:2723000

  9. Ethyl glucuronide and ethyl sulfate in meconium and hair-potential biomarkers of intrauterine exposure to ethanol.

    PubMed

    Morini, L; Marchei, E; Vagnarelli, F; Garcia Algar, O; Groppi, A; Mastrobattista, L; Pichini, S

    2010-03-20

    This study investigated ethyl glucuronide (EtG) and ethyl sulfate (EtS) concentration in meconium and in maternal and neonatal hair (HEtG and HFAEEs, respectively) as potential markers of intrauterine exposure to ethanol together with meconium fatty acid ethyl esters (FAEEs) in a cohort of 99 mother-infant dyads, 49 coming from the Arcispedale of Reggio Emilia (Italy) and 50 from the Hospital del Mar of Barcelona (Spain). FAEEs, EtG and EtS were measured in meconium samples using liquid chromatography-tandem mass spectrometry. A head space-solid phase microextraction-gas chromatography-mass spectrometry was used to test HEtG and HFAEEs in hair samples from mothers and their newborns. Eighty-two meconium samples (82.8%) tested positive for EtG, 19 (19.2%) for EtS while 22 (22.2%) showed FAEEs levels higher than 2 nmol/g, the cut-off used to differentiate daily maternal ethanol consumption during pregnancy from occasional or no use. Although EtG and EtS in meconium did not correlate with total FAEEs concentration, a good correlation between EtG, EtS and ethyl stearate was observed. Moreover, EtG correlated well with ethyl palmitoleate, while EtS with ethyl laurate, myristate and linolenate. Neither maternal nor neonatal hair appears as good predictors of gestational ethanol consumption and subsequent fetal exposure in these mother-infant dyads. In conclusion, these data show that meconium is so far the best matrix in evaluating intrauterine exposure to ethanol, with EtG and EtS being potentially good alternative biomarkers to FAEEs. PMID:20060246

  10. Microchip electrospray: cone-jet stability analysis for water-acetonitrile and water-methanol mobile phases.

    PubMed

    Jung, Stephanie; Effelsberg, Uwe; Tallarek, Ulrich

    2011-03-25

    Changes in mobile phase composition during high performance liquid chromatography (HPLC) gradient elution coupled to mass spectrometry (MS) sensitively affect electrospray operation modes. In this work, we identify the influences of dynamic changes in bulk conductivity on the cone-jet stability island for aqueous acetonitrile and aqueous methanol mobile phases commonly used in reversed-phase HPLC. Bulk conductivities of the mobile phases were varied by adding different amounts of formic acid. A commercial microchip-HPLC/ESI-MS configuration was modified to enable in situ electrospray diagnostics by frequency analysis of the microchip emitter current and spray imaging. This approach facilitated the detection of different spray modes together with their onset potentials. The established spray modes are described and the differences in onset potentials and stability regions explained by the physicochemical properties of the electrosprayed liquid. PMID:21333298

  11. Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

    SciTech Connect

    Cazade, Pierre-André; Das, Akshaya K.; Tran, Halina; Kläsi, Felix; Hamm, Peter; Bereau, Tristan; Meuwly, Markus

    2015-06-07

    The solvent dynamics around fluorinated acetonitrile is characterized by 2-dimensional infrared spectroscopy and atomistic simulations. The lineshape of the linear infrared spectrum is better captured by semiempirical (density functional tight binding) mixed quantum mechanical/molecular mechanics simulations, whereas force field simulations with multipolar interactions yield lineshapes that are significantly too narrow. For the solvent dynamics, a relatively slow time scale of 2 ps is found from the experiments and supported by the mixed quantum mechanical/molecular mechanics simulations. With multipolar force fields fitted to the available thermodynamical data, the time scale is considerably faster—on the 0.5 ps time scale. The simulations provide evidence for a well established CF–HOH hydrogen bond (population of 25%) which is found from the radial distribution function g(r) from both, force field and quantum mechanics/molecular mechanics simulations.

  12. Carbon-hydrogen vs. carbon-carbon bond cleavage of 1,2-diarylethane radical cations in acetonitrile-water

    SciTech Connect

    Camaioni, D.M.; Franz, J.A.

    1984-05-04

    Radical cations of 1,2-diarylethanes and 1-phenyl-2-arylethanes (Ar = phenyl, p-tolyl, p-anisyl) were generated in acidic 70% acetonitrile-water by Cu/sup 2 +/-catalyzed peroxydisulfate oxidation. The radical cations fragment mainly by loss of benzylic protons (C-H cleavage) rather than by alkyl C-C bond cleavage. The 1,2-diarylethanol products undergo further selective oxidation to aryl aldehydes and arylmethanols via rapid equilibration of diarylethane and diarylethanol radical cations. The radical cation of 2,3-dimethyl-2,3-diphenylbutane fragments efficiently by C-C cleavage, forming cumyl radical and cumyl cation. Oxidations of bibenzyl-bicumyl mixtures show selective oxidation of bicumyl dependent on total substrate concentration, providing evidence of equilibrating radical cations and showing that bicumyl fragments faster than bibenzyl loses protons. The effects of reaction conditions and substrate structure on reactivity are discussed.

  13. IR spectra and structure of (4-nitrophenyl)acetonitrile and of its carbanion: experimental and ab initio studies

    NASA Astrophysics Data System (ADS)

    Binev, Y. I.; Petrova, R. R.; Tsenov, J. A.; Binev, I. G.

    2000-01-01

    The structures of (4-nitrophenyl)acetonitrile and of its carbanion were studied on the basis of both quantitative IR spectra and ab initio force field calculations. The spectral and structural changes, which take place in the course of the conversion of the parent molecule into the carbanion, are essential and spread over the whole species. In agreement between theory and experiment, the conversion studied causes strong frequency decreases (down to 136 cm -1) and intensity increases (up to 90-fold) of the cyano and nitro stretching bands. The molecule→carbanion conversion is accompanied by both quinoidization of the phenylene ring and a change in the configuration of the methylenic carbon atom: from tetrahedral in the molecule it becomes planar in the carbanion. The carbanionic charge is delocalized over the carbanionic center (0.40 e -), phenylene (0.24 e -), nitro (0.21 e -) and cyano (0.15 e -) groups.

  14. Effect of phase symmetry on the NMR spectrum of acetonitrile oriented in a uniaxial-biaxial-uniaxial phase

    NASA Astrophysics Data System (ADS)

    Deepak, H. S. Vinay; Yelamaggad, C. V.; Khetrapal, C. L.; Ramanathan, K. V.

    2016-09-01

    We report here the measurement of the Csbnd H and the Hsbnd H dipolar couplings of the methyl group of acetonitrile oriented in the biaxial liquid crystal potassium laurate/1-decanol/water system. These parameters show large variations when measured as a function of temperature. The variations follow the symmetry of the phase as the liquid crystal goes through the sequence of uniaxial - biaxial - uniaxial phases and show a close correspondence to the phase changes that occur in the liquid crystalline solvent coinciding with the onset of biaxiality. The Hsbnd Csbnd H bond angle calculated after incorporating vibrational corrections to the dipolar couplings is discussed in terms of contributions in the case of the biaxial liquid crystal arising from vibration-rotation interaction effects.

  15. Temperature deactivation of excited Tb{sup 3+} in the presence of 1, 2-dioxetane in acetonitrile

    SciTech Connect

    Ableeva, N.Sh.; Voloshin, A.I.; Ostakhov, S.S.

    1994-10-01

    Quenching the fluorescence (FL) of terbium perchlorate by 2,2{prime}-adamantane-2,2{prime}-dioxide (1) was shown to have a chemical character and was caused by the formation of the [1...Tb{sup 3+}] complex. The dependence of the lifetime ({tau}) of FL of Tb{sup *3+} in acetonitrile on the temperature and concentration of 1 has been studied. The temperature dependence of {tau} is caused by a rearrangement of the inner sphere of the aquasolvate complexes of Tb{sup 3+}, which leads to the replacement of H{sub 2}O with MeCN and 1. The energy of replacing the H{sub 2}O molecule in the inner sphere of complexes with a solvent molecule has been calculated.

  16. Synthesis of Cellulose Acetate from Cotton Byproducts

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cotton burr and cottonseed hull are relatively inexpensive cotton byproducts. In an effort to derive greater value out of these natural renewable materials, we have succeeded in converting part of them into cellulose acetate without prior chemical breakdown or physical separation of cellulose, ligni...

  17. Advanced Colloids Experiment (ACE-T1)

    NASA Technical Reports Server (NTRS)

    Meyer, William V.; Sicker, Ron; Brown, Dan; Eustace, John

    2015-01-01

    Increment 45 - 46 Science Symposium presentation of Advanced Colloids Experiment (ACE-T1) to RPO. The purpose of this event is for Principal Investigators to present their science objectives, testing approach, and measurement methods to agency scientists, managers, and other investigators.

  18. 21 CFR 184.1185 - Calcium acetate.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Calcium acetate. 184.1185 Section 184.1185 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) DIRECT FOOD SUBSTANCES AFFIRMED AS GENERALLY RECOGNIZED AS SAFE Listing of Specific Substances Affirmed as GRAS...

  19. 21 CFR 556.380 - Melengestrol acetate.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Melengestrol acetate. 556.380 Section 556.380 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS TOLERANCES FOR RESIDUES OF NEW ANIMAL DRUGS IN FOOD Specific Tolerances for Residues of New Animal Drugs §...

  20. Heat Bonding of Irradiated Ethylene Vinyl Acetate

    NASA Technical Reports Server (NTRS)

    Slack, D. H.

    1986-01-01

    Reliable method now available for joining parts of this difficult-tobond material. Heating fixture encircles ethylene vinyl acetate multiplesocket part, providing heat to it and to tubes inserted in it. Fixtures specially designed to match parts to be bonded. Tube-and-socket bonds made with this technique subjected to tensile tests. Bond strengths of 50 percent that of base material obtained consistently.