Sample records for related acetal benzoic

  1. The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns



    Full Text Available The temperature dependence of the retention index was studied for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns. The study was performed over various temperature ranges depending on the volatility of the ester. Two linear equations of the temperature dependence of the retention data on the column temperature and its reciprocal as variables were studied. Agood linearity of the retention index versus column temperature was found.

  2. EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF); Scientific Opinion on Flavouring Group Evaluation 20, Revision 3 (FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30

    Larsen, John Christian; Nørby, Karin Kristiane; Beltoft, Vibe Meister;

    The Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids of the European Food Safety Authority was requested to consider in this revision 3 of Flavouring Group Evaluation 20, the SCF Opinion on benzoic acid. Furthermore information on stereoisomeric composition for two substa...

  3. [Selenazoles. XII. (1) Reaction of 4-(p-tolyl)-selenosemi-carbazides of acetic, benzoic, isonicotinic, nicotinic and picolinic acid with omega-acetophenone].

    Biliński, S; Bielak, L; Chmielewski, J; Marcewicz-Rojewska, B; Musik, I


    The cyclization of 4-(p-tolyl)-selenosemicarbazides of acetic, benzoic, isonicotinic, nicotinic and picolinic acids (Ia-e) with omega-bromoacetophenone was investigated in the medium of methanol (Method A) or in methanol in the presence of anhydrous sodium acetate (Method B). Acid hydrolysis of compounds IIf-i and IVa-c, e was studied. Results of UV and IR spectrometric measurements and of the in vitro microbiological studies are presented. In contradistinction to corresponding thiosemicarbazides, the change in N4 nitrogen atom basicity of the parent selenosemicarbazide I (pKa of p-toluidine = 5.1), in comparison to that of 4-phenyl-selenosemicarbazide (pKa of aniline = 4.63), proved to influence the equilibrium of the reaction with omega-bromoacetophenone only in the methanol medium without addition of anhydrous sodium acetate (Method A).

  4. Alteration of the phospho- or neutral lipid content and fatty acid composition in Listeria monocytogenes due to acid adaptation mechanisms for hydrochloric, acetic and lactic acids at pH 5.5 or benzoic acid at neutral pH.

    Mastronicolis, Sofia K; Berberi, Anita; Diakogiannis, Ioannis; Petrova, Evanthia; Kiaki, Irene; Baltzi, Triantafillia; Xenikakis, Polydoros


    This study provides a first approach to observe the effects on Listeria monocytogenes of cellular exposure to acid stress at low or neutral pH, notably how phospho- or neutral lipids are involved in this mechanism, besides the fatty acid profile alteration. A thorough investigation of the composition of polar and neutral lipids from L. monocytogenes grown at pH 5.5 in presence of hydrochloric, acetic and lactic acids, or at neutral pH 7.3 in presence of benzoic acid, is described relative to cells grown in acid-free medium. The results showed that only low pH values enhance the antimicrobial activity of an acid. We suggest that, irrespective of pH, the acid adaptation response will lead to a similar alteration in fatty acid composition [decreasing the ratio of branched chain/saturated straight fatty acids of total lipids], mainly originating from the neutral lipid class of adapted cultures. Acid adaptation in L. monocytogenes was correlated with a decrease in total lipid phosphorus and, with the exception of cells adapted to benzoic acid, this change in the amount of phosphorus reflected a higher content of the neutral lipid class. Upon acetic or benzoic acid stress the lipid phosphorus proportion was analysed in the main phospholipids present: cardiolipin, phosphatidylglycerol, phosphoaminolipid and phosphatidylinositol. Interestingly only benzoic acid had a dramatic effect on the relative quantities of these four phospholipids.

  5. Substituent Effects on the Low-Frequency Vibrational Modes of Benzoic Acid and Related Compounds

    GE Min; ZHAO Hong-Wei; WANG Wen-Feng; YU Xiao-Han; LI Wen-Xin


    Well-resolved absorption spectra of benzoic acid and its derivatives with one hydrogen atom replaced by a substituent group CH3, OH, NH2 or NO2 were reported in the frequency region between 6 and 67 cm-1 at room temperature with terahertz time-domain spectroscopy (THz-TDS). These substances can be distinguished easily based on the terahertz absorption spectra. The measurements suggested that even minor changes in the molecular configuration and chemical composition lead to distinct differences in THz spectrum. Density functional theory (DFT)method was used to assist the analysis and assignment of the individual THz absorption spectra of benzoic acid and its methyl derivatives. Observed THz responses of samples can be assigned to the collective vibrations associated with intermolecular hydrogen bonds.

  6. Acetylcholinesterase inhibitory properties of some benzoic acid derivatives

    Yildiz, Melike; Kiliç, Deryanur; Ünver, Yaǧmur; Şentürk, Murat; Askin, Hakan; Küfrevioǧlu, Ömer Irfan


    Acetylcholinesterase (AChE) hydrolyses the neurotransmitter acetylcholine to acetic acid and choline. AChE inhibitors are used in treatment of several neurodegeneartive disorder and Alzheimer's disease. In the present study, inhibition of AChE with some benzoic acid derivatives were investigated. 3-Chloro-benzoic acid (1), 2-hydroxy-5-sulfobenzoic acid (2), 2-(sulfooxy) benzoic acid (3), 2-hydroxybenzoic acid (4), 2,3-dimethoxybenzoic (5), and 3,4,5-trimethoxybenzoic (6) were calculated IC50 values AChE enzyme. Kinetic investigations showed that similarly to AChE inhibitors. Benzoic acid derivatives (1-6) investigated are encouraging agents which may be used as lead molecules in order to derivative novel AChE inhibitors that might be useful in medical applications.

  7. 21 CFR 582.3021 - Benzoic acid.


    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Benzoic acid. 582.3021 Section 582.3021 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS SUBSTANCES GENERALLY RECOGNIZED AS SAFE Chemical Preservatives §...

  8. Heterogeneous Reactions of Acetic Acid with Oxide Surfaces: Effects of Mineralogy and Relative Humidity.

    Tang, Mingjin; Larish, Whitney A; Fang, Yuan; Gankanda, Aruni; Grassian, Vicki H


    We have investigated the heterogeneous uptake of gaseous acetic acid on different oxides including γ-Al2O3, SiO2, and CaO under a range of relative humidity conditions. Under dry conditions, the uptake of acetic acid leads to the formation of both acetate and molecularly adsorbed acetic acid on γ-Al2O3 and CaO and only molecularly adsorbed acetic acid on SiO2. More importantly, under the conditions of this study, dimers are the major form for molecularly adsorbed acetic acid on all three particle surfaces investigated, even at low acetic acid pressures under which monomers are the dominant species in the gas phase. We have also determined saturation surface coverages for acetic acid adsorption on these three oxides under dry conditions as well as Langmuir adsorption constants in some cases. Kinetic analysis shows that the reaction rate of acetic acid increases by a factor of 3-5 for γ-Al2O3 when relative humidity increases from 0% to 15%, whereas for SiO2 particles, acetic acid and water are found to compete for surface adsorption sites.

  9. Collision-induced dissociation processes of protonated benzoic acid and related compounds: competitive generation of protonated carbon dioxide or protonated benzene.

    Xu, Sihang; Pavlov, Julius; Attygalle, Athula B


    Upon activation in the gas phase, protonated benzoic acid (m/z 123) undergoes fragmentation by several mechanisms. In addition to the predictable water loss followed by a CO loss, the m/z 123 ion more intriguingly eliminates a molecule of benzene to generate protonated carbon dioxide (H - O(+)  ═ C ≡ O, m/z 45), or a molecule of carbon dioxide to yield protonated benzene (m/z 79). Experimental evidence shows that the incipient proton ambulates during the fragmentation processes. For the CO2 or benzene loss, protonated benzoic acid transfers the charge-imparting proton initially to the ortho position and then to the ipso position to generate a transient species which dissociates to form an ion-neutral complex between benzene and protonated CO2 . The formation of the m/z 45 ion is not a phenomenon unique to benzoic acid: spectra from protonated isophthalic acid, terephthalic acid, trans-cinnamic acid and some aliphatic acids also displayed a peak for m/z 45. However, the m/z 45 peak is structurally diagnostic only for certain benzene polycarboxylic acids because the spectra of compounds with two carboxyl groups on adjacent ring carbons do not produce a peak at m/z 45. For the m/z 79 ion to be formed, an intramolecular reaction should take place in which protonated CO2 within the ion-neutral complex acts as the attacking electrophile to transfer a proton to benzene. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  10. Capillary Electrophoresis of Substituted Benzoic Acids

    Mills, Nancy S.; Spence, John D.; Bushey, Michelle M.


    A series of substituted benzoic acids (SBAs) are prepared by students. The pKa shift, a result of the electron-withdrawing or electron-donating characteristics of the subsistent is examined in reference to the electrophoretic migration behavior of benzoic acid.

  11. Chemiluminescence Determination of Benzoic Acid Using A Solid-Phase Verdigris Reactor


    A new chemiluminescence flow system has been developed for sequential determina-tion of benzoic acid based on the reaction of the compound with copper carbonate entrapped in a solid-phase reactor. It was found that the unsaturated complex of Cu(II) and benzoic acid (1:1) has strong catalytic effect on the luminol-H2O2 chemiluminescence reaction. The calibration graph is linear over the range of 0.025 ~ 60 μg/mL of benzoic acid, with a relative standard deviation of less than 3.0 %, and the detection limit is 0.01μg@mL-1. The proposed method was applied to the determination of benzoic acid content in different pharmaceutical formulations.

  12. Silicone sealers, acetic acid vapours and dental erosion: a work-related risk?

    Johansson, Ann-Katrin; Johansson, Anders; Stan, Vlaicu; Ohlson, Carl-Göran


    The aim of the present study was to investigate whether the acetic acid released by some silicone sealers during the curing process poses an increased risk for dental erosion, thus constituting an occupational hazard to exposed individuals. The material comprised 13 individuals (x=30 years, 10 men and 3 women) who had been exposed to an average of 4.2 years' (range 0.6-10 years) of working with silicone. Each had comprehensive medical and dental examinations carried out. A sex- and aged-matched group of 20 healthy, unexposed workers from the same company served as controls for the medical examination, while study models from randomly selected sex- and age-matched individuals were used as controls for assessing the severity of erosion. Using a questionnaire, an assessment of the role of various possible factors related to oral and general health, and to dental erosion in particular, was made for each participant in the exposed group. Clinical examination included recordings of severity of dental erosion, presence of "cuppings", DMFT, salivary secretion rate and buffer capacity, visible plaque index and gingival bleeding index. In addition, bitewing radiographs, study casts and intraoral colour transparencies were obtained for each individual. The severity of dental erosion was significantly higher in those exposed to silicone compared to controls. There was also a significant correlation between the period of exposure to silicone in the workplace and severity of erosion. Medical problems, especially with regard to upper respiratory tract symptoms, were significantly more common among exposed individuals than controls. In conclusion, a relationship between occupational exposure to acetic acid vapours from silicone sealers and development of dental erosion would appear to exist.

  13. Relative bioavailability and bioquivalence of three different oral formulations of Eslicarbazepine Acetate

    Nunes, Teresa; Falcão, Amílcar; Almeida, Luís; Lima, Ricardo; Tavares, Susana; Neta, Carla; Fontes-Ribeiro, Carlos; Macedo, Tice; Soares-da-Silva, Patricio


    AES Proceedings of the Annual Meeting of the American Epilepsy Society To investigate the bioavailability and bioequivalence of three formulations of eslicarbazepine acetate: 50 mg/mL oral suspension (Test 1), 200 mg tablets (Test 2) and 800 mg tablets (Reference)

  14. Inhibition of microbial xylitol production by acetic acid and its relation with fermentative parameters.

    Morita, T A; Silva, S S


    Precipitated sugarcane bagasse hemicellulosic hydrolysate containing acetic acid was fermented by Candida guilliermondii FTI20037 under different operational conditions (pH 4.0 and 7.0, three aeration rates). At pH 7.0 and kLa of 10 (0.75 vvm) and 22.5/h (3.0 vvm) the acetic acid had not been consumed until the end of the fermentations, whereas at the same pH and kLa of 35/h (4.5 vvm) the acid was rapidly consumed and acetic acid inhibition was not important. On the other hand, fermentations at an initial pH of 4.0 and kLa of 22.5 and 35/h required less time for the acid uptake than fermentations at kLa of 10/h. The acetic acid assimilation by the yeast indicates the ability of this strain to ferment in partially detoxified medium, making possible the utilization of the sugarcane bagasse hydrolysate in this bio-process. The effects on xylitol yield and production are reported.

  15. New medium oxacyclic O,N-acetals and related open analogues: biological activities.

    Campos, Joaquín; Saniger, Estrella; Marchal, Juan A; Aiello, Stefania; Súarez, Inés; Boulaiz, Houria; Aránega, Antonia; A Gallo, Miguel; Espinosa, Antonio


    Attention is increasingly being focussed on the cell cycle and apoptosis as potential targets for therapeutic intervention in cancer. Taking 1-[(2-oxepanyl)]-5-fluorouracil previously prepared by us, we committed ourselves to increase the lipophilicity of this upper cyclohomologue of Ftorafur and prepared a series of bioisosteric benzannelated seven-membered 5-FU O,N-acetals to test them against the MCF-7 human breast cancer cell line. Benzo-fused seven-membered O,O-acetals or their acyclic analogues led to the expected 5-FU O,N-acetals (or aminals), in addition to six- and to 14-membered aminal structures and acyclic compounds. All the cyclic aminals provoked a G(o)/G(1)-phase cell cycle arrest, whereas Ftorafur, a known prodrug of 5-FU, and 1-[2-(2-hydroxymethyl-4-nitrophenoxy)-1-methoxyethyl]-5-fluorouracil (51) induced an S-phase cell cycle arrest. Although breast cancer is most often treated with conventional cytotoxic agents it has proved difficult to induce apoptosis in breast cancer cells and, consequently, improved clinical responses may be obtained by identifying therapies that are particularly effective in activating apoptosis. 1-(2,3-Dihydrobenzoxepin-2-yl)-5-fluorouracil (26) may be particularly useful in stimulating apoptosis in breast cancer. This compound is more potent as an apoptotic inductor than paclitaxel (Taxol). Finally, a fact that is worth emphasizing is that the cyclic and acyclic 5-FU O,N-acetals induce neither toxicity nor death in mice after one month's treatment when administered intravenously twice a week, with a 50 mg/kg dose each time. Taken together, the experimental findings provide evidence of specific anti-tumour activity of these new substances and warrant further evaluation in in vivo models of breast cancer to future clinical applications.

  16. Antiherbivore prenylated benzoic acid derivatives from Piper kelleyi.

    Jeffrey, Christopher S; Leonard, Michael D; Glassmire, Andrea E; Dodson, Craig D; Richards, Lora A; Kato, Massuo J; Dyer, Lee A


    The known prenylated benzoic acid derivative 3-geranyl-4-hydroxy-5-(3″,3″-dimethylallyl)benzoic acid (1) and two new chromane natural products were isolated from the methanolic extract of the leaves of Piper kelleyi Tepe (Piperaceae), a midcanopy tropical shrub that grows in lower montane rain forests in Ecuador and Peru. Structure determination using 1D and 2D NMR analysis led to the structure of the chromene 2 and to the reassignment of the structure of cumanensic acid as 4, an isomeric chromene previously isolated from Piper gaudichaudianum. The structure and relative configuration of new chromane 3 was determined using 1D and 2D NMR spectroscopic analysis and was found to be racemic by ECD spectropolarimetry. The biological activity of 1-3 was evaluated against a lab colony of the generalist caterpillar Spodoptera exigua (Noctuidae), and low concentrations of 2 and 3 were found to significantly reduce fitness. Further consideration of the biosynthetic relationship of the three compounds led to the proposal that 1 is converted to 2 via an oxidative process, whereas 3 is produced through hetero-[4+2] dimerization of a quinone methide derived from the chromene 2.

  17. Successful treatment of Depot Medroxyprogesterone acetate-related vaginal bleeding improves continuation rates in Adolescents

    Kristin M. Rager


    Full Text Available High discontinuation rates for depot medroxyprogesterone acetate (DMPA in adolescents may contribute to the number of unintended pregnancies. Many cite vaginal bleeding as a reason for discontinuing DMPA use. In this study, we attempted to determine if treating DMPA-associated vaginal bleeding with monophasic oral contraceptive pills (OCP raised continuation rates. A total of 131 patients who reported vaginal bleeding while on DMPA were included in this study and 83 were treated with monophasic OCP. Of those who received OCP, 38.7% reported that vaginal bleeding stopped completely, 51.8% reported that vaginal bleeding stopped temporarily, and 6.0% reported no change. Overall, 94% of enrolled patients who received OCP as a treatment for DMPA-associated vaginal bleeding continued DMPA use. Our findings indicate that vaginal bleeding due to DMPA can be successfully treated, leading to improvement in continuation rates.

  18. Absorption and metabolism of benzoic acid in growing pigs

    Kristensen, N B; Nørgaard, J V; Wamberg, S


    Dietary benzoic acid (BA) supplementation causes a pronounced reduction in urinary pH but only small changes in blood pH. The present study aimed to investigate the portal absorption profile, hepatic metabolism of BA, and renal excretion of hippuric acid (HA) underlying the relatively small impact...... of BA on systemic acid-base status. Eight growing pigs (BW = 63 ± 1 kg at sampling) fitted with permanent indwelling catheters in the abdominal aorta, hepatic portal vein, hepatic vein, and mesenteric vein were allocated to 4 sampling blocks and randomly assigned to control (CON; nonsupplemented diet...... portal flux and hepatic uptake of BA was 87 ± 5% and 89 ± 15%, respectively. The recovery of dietary BA as urinary excretion of BA and HA was 0.08 ± 0.02% and 85 ± 7%, respectively. It is concluded that the small impact of BA supplementation on systemic acid-base status was caused by a protracted BA...

  19. Dissemination and Application of New Technology Relating to Catalytic Rectification/Hydrolysis of Methyl Acetate Developed by Fuzhou University


    @@ The new process for catalytic rectification/hydrolysis of methyl acetate developed by the Chemistry and Chemical Engineering College of Fuzhou University has been dissemi-nated and applied. This process adopts the new integrated technology of catalytic rectification which not only has tack-led the problem of low rate of hydrolysis of methyl acetate obtained in the course of PVA manufacture, but is also be-ing applied in the PTA industry to realize the utilization of byproducts of methyl acetate.

  20. Roxatidine acetate. A review of its pharmacodynamic and pharmacokinetic properties, and its therapeutic potential in peptic ulcer disease and related disorders.

    Murdoch, D; McTavish, D


    Roxatidine acetate is a histamine H2-receptor antagonist which, after almost complete oral absorption (greater than 95%), is rapidly converted to its active metabolite, roxatidine, by esterases in the small intestine, plasma and liver. Roxatidine is a potent inhibitor of basal and stimulated gastric acid secretion in animals and humans and, like most other H2-receptor antagonists, has no anti-androgenic effects and does not interfere with the hepatic metabolism of other drugs. Large-scale trials have shown that roxatidine acetate 150mg per day is as effective as standard doses of cimetidine and ranitidine in the treatment of patients with duodenal or gastric ulcer, and that roxatidine acetate 75mg in the evening is likely to become a 'standard' regimen for the prevention of peptic ulcer recurrence. Preliminary data also suggest that roxatidine acetate may be useful in the treatment of reflux oesophagitis and stomal ulcer, and in the prevention of pulmonary acid aspiration. Roxatidine acetate is an H2-receptor antagonist which has been well tolerated in clinical trials. However, broader experience is required before definitive statements about tolerability relative to other H2-receptor antagonists can be made, and before the role of roxatidine acetate in the treatment of reflux oesophagitis and stomal ulcer, and the prophylaxis of acid aspiration pneumonitis, can be clearly defined.

  1. In vitro skin absorption and metabolism of benzoic acid, p-aminobenzoic acid, and benzocaine in the hairless guinea pig.

    Nathan, D; Sakr, A; Lichtin, J L; Bronaugh, R L


    The percutaneous absorption and metabolism of three structurally related compounds, benzoic acid, p-aminobenzoic acid (PABA), and ethyl aminobenzoate (benzocaine), were determined in vitro through hairless guinea pig skin. Benzocaine was also studied in human skin. Absorption of benzocaine was rapid and similar through both viable and nonviable skin. The absorption of the two acidic compounds, benzoic acid and PABA, was greater through nonviable skin. A small portion (6.9%) of absorbed benzoic acid was conjugated with glycine to form hippuric acid. Although N-acetyl-benzocaine had not been observed as a metabolite of benzocaine when studied by other routes of administration, both PABA and benzocaine were extensively N-acetylated during percutaneous absorption. Thus, the metabolism of these compounds should be considered in an accurate assessment of absorption after topical application.

  2. Estimated intake of benzoic and sorbic acids in Denmark

    Leth, Torben; Christensen, Tue; Larsen, I. K.


    for marmalade show some variation. Most foods in the categories soft drinks, dressings, fat-based salads, pickled herrings, and marmalade contain benzoic and sorbic acid, and sliced bread also contains in some cases sorbic acid. The median daily intake and intake distribution of benzoic and sorbic acids were......-old age group. Based on the average of all samples, the 95th percentile is over the acceptable daily intake for men up to 34 years and for women up to 24 years, and the 90th percentile for men up to 18 years and for women up to 10 years. Soft drinks, salads and dressings are the main contributors...... intakes of benzoic acid should not cause any concern for ill-effects. However, there must be a reason to reconsider the maximum limits especially for benzoic acid in soft drinks, dressings and salads and for sorbic acid in sliced bread....

  3. Inactivation of myeloperoxidase by benzoic acid hydrazide.

    Huang, Jiansheng; Smith, Forrest; Panizzi, Jennifer R; Goodwin, Douglas C; Panizzi, Peter


    Myeloperoxidase (MPO) is expressed by myeloid cells for the purpose of catalyzing the formation of hypochlorous acid, from chloride ions and reaction with a hydrogen peroxide-charged heme covalently bound to the enzyme. Most peroxidase enzymes both plant and mammalian are inhibited by benzoic acid hydrazide (BAH)-containing compounds, but the mechanism underlying MPO inhibition by BAH compounds is largely unknown. Recently, we reported MPO inhibition by BAH and 4-(trifluoromethyl)-BAH was due to hydrolysis of the ester bond between MPO heavy chain glutamate 242 ((HC)Glu(242)) residue and the heme pyrrole A ring, freeing the heme linked light chain MPO subunit from the larger remaining heavy chain portion. Here we probed the structure and function relationship behind this ester bond cleavage using a panel of BAH analogs to gain insight into the constraints imposed by the MPO active site and channel leading to the buried protoporphyrin IX ring. In addition, we show evidence that destruction of the heme ring does not occur by tracking the heme prosthetic group and provide evidence that the mechanism of hydrolysis follows a potential attack of the (HC)Glu(242) carbonyl leading to a rearrangement causing the release of the vinyl-sulfonium linkage between (HC)Met(243) and the pyrrole A ring.

  4. Distribution ratio, distribution constant and partition coefficient. Countercurrent chromatography retention of benzoic acid.

    Berthod, Alain; Mekaoui, Nazim


    There is some confusion in chromatography between terms such as solute distribution ratio, distribution constant and partition coefficient. These terms are very precisely defined in the field of liquid-liquid systems and liquid-liquid extraction as well as in the field of chromatography with sometimes conflicting definitions. Countercurrent chromatography (CCC) is a chromatographic technique in which the stationary phase is a support-free liquid. Since the mobile phase is also liquid, biphasic liquid systems are used. This work focuses on the exact meaning of the terms since there are consequences on experimental results. The retention volumes of solutes in CCC are linearly related to their distribution ratios. The partition coefficient that should be termed (IUPAC recommendation) distribution constant is linked to a single definite species. Using benzoic acid that can dimerize in heptane and ionize in aqueous phase and an 18 mL hydrodynamic CCC column, the role and relationships between parameters and the consequences on experimental peak position and shape are discussed. If the heptane/water distribution constant (marginally accepted to be called partition coefficient) of benzoic acid is 0.2 at 20 °C and can be tabulated in books, its CCC measured distribution ratio or distribution coefficient can change between zero (basic aqueous mobile phase) and more than 25 (acidic aqueous mobile phase and elevated concentration). Benzoic acid distribution ratio and partition coefficient coincide only when both dimerization and ionization are quenched, i.e. at very low concentration and pH 2. It is possible to quench dimerization adding butanol in the heptane/water system. However, butanol additions also affect the partition coefficient of benzoic acid greatly by increasing it.

  5. Relative Reactivity Measurements of Stabilized CH2OO, Produced by Ethene Ozonolysis, Toward Acetic Acid and Water Vapor Using Chemical Ionization Mass Spectrometry.

    Yajima, Ryoji; Sakamoto, Yosuke; Inomata, Satoshi; Hirokawa, Jun


    We investigated the relative reactivity of stabilized CH2OO, produced by ethene ozonolysis, toward acetic acid and water vapor at a temperature of 298 ± 2 K and atmospheric pressure. Hydroperoxymethyl acetate produced through the reaction between stabilized CH2OO and acetic acid was monitored using a chemical ionization mass spectrometer as a function of the acetic acid concentration at different relative humidities. The rate of the reaction between CH2OO and water vapor depended quadratically on the water vapor concentration, suggesting that CH2OO reacted with water dimers in preference to water monomers. We obtained the bimolecular rate constant for the reaction between CH2OO and water dimer relative to the rate constant for the reaction between CH2OO and acetic acid, k3/k1, of (6.3 ± 0.4) × 10(-2). The k3 value of (8.2 ± 0.8) × 10(-12) cm(3) molecule(-1) s(-1) was derived by combining with a k1 value of (1.3 ± 0.1) × 10(-10) cm(3) molecule(-1) s(-1), which has been previously reported by direct kinetic studies. The k3 value thus obtained is consistent with the absolute rate constants measured directly, suggesting that the reactivity of CH2OO is irrespective of the CH2OO generation method, namely, ethene ozonolysis or diiodomethane photolysis. We indirectly determined the yield of stabilized CH2OO from the ozonolysis of ethene of 0.59 ± 0.17 and 0.55 ± 0.16 under dry and humid (relative humidity 23-24%) conditions, respectively, suggesting that the yield is independent of the water vapor concentration. Our results suggest that hydroperoxymethyl acetate is the sole product of the reaction between stabilized CH2OO and acetic acid. The approach presented here can likely be extended to studies of the reactivities of more complicated and atmospherically relevant stabilized Criegee intermediates.



    The present invention relates to a composition comprising : a) 0.01-20% wt/wt acetic acid and b) a physiologically tolerable buffer capable of maintaining acetic acid at a pH in the range of 2-7; and use of such a composition as an antimicrobial agent.......The present invention relates to a composition comprising : a) 0.01-20% wt/wt acetic acid and b) a physiologically tolerable buffer capable of maintaining acetic acid at a pH in the range of 2-7; and use of such a composition as an antimicrobial agent....



    The present invention relates to a composition comprising : a) 0.01-20% wt/wt acetic acid and b) a physiologically tolerable buffer capable of maintaining acetic acid at a pH in the range of 2-7; and use of such a composition as an antimicrobial agent.......The present invention relates to a composition comprising : a) 0.01-20% wt/wt acetic acid and b) a physiologically tolerable buffer capable of maintaining acetic acid at a pH in the range of 2-7; and use of such a composition as an antimicrobial agent....

  8. Tramadol hydrochloride–benzoic acid (1/1

    B. P. Siddaraju


    Full Text Available In the cation of the title co-crystal salt {systematic name: [2-hydroxy-2-(3-methoxyphenylcyclohexylmethyl]dimethylazanium chloride–benzoic acid (1/1}, C16H31NO2+·Cl−·C7H6O2, the N atom is protonated and the six-membered cyclohexane ring adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the benzene rings in the cation and the benzoic acid molecule is 75.5 (9°. The crystal packing is stabilized by weak intermolecular O—H...Cl, N—H...Cl and C—H...π interactions, forming a two-dimensional chain network along the b axis. The benzoic acid molecule is not involved in the usual head-to-tail dimer bonding, but instead is linked to the ammonium cation through mutual hydrogen-bonding interactions with the chloride anion.

  9. A kinetic study on benzoic acid pungency and sensory attributes of benzoic acid.

    Otero-Losada, M E


    Aqueous solutions of benzoic acid (BA) were evaluated by two methods: (i) sensory profile: a descriptive test of sensory attributes combined with semiquantitative analysis; and (ii) pungency intensity measures as a function of time: a computerized recording using specific software. Kinetic parameters evaluated were maximal intensity (I(MAX)), total time of pungency (Ttot), rates of increase (V1) and decrease (V2), half-life (T1/2), area under curve (AUC) and time to maximal intensity (T(IMAX)). Results were analyzed by ANOVA, LSD test, iterative calculations and adjustment to equations according to mathematical models, regression analysis, principal component analysis (PCA) and clusters analysis. Pungency was the main sensory attribute of BA (3-36 mM) in the tongue and epiglottis. The seven kinetic parameters showed concentration-dependency (P pungency intensity best correlated with both concentration and persistence among kinetic parameters. Prototypical prickling of BA was observed at 12 and 18 mM.

  10. The mechanism and kinetics of the electrochemical cleavage of azo bond of 2-hydroxy-5-sulfophenyl-azo-benzoic acids

    Mandic, Zoran; Nigovic, Biljana; Simunic, Branimir


    The electrochemical reduction of 2-hydroxy-5-[(4-sulfophenyl)azo]benzoic acid, 2-hydroxy-5-[(3-sulfophenyl)azo]benzoic acid, 2-hydroxy-5-[(2-sulfophenyl)azo]benzoic acid and 2-hydroxy-5-azo-benzoic acid has been carried out in aqueous solutions at glassy carbon electrode using cyclic voltammetry and chronoamperometry. The position of sulfo substituent relative to azo bridge as well as pH of the solution have significant impact on the electrochemical behavior of these compounds. It has been proposed that these compounds are reduced predominantly as hydrazone tautomers resulting in corresponding hydrazo compounds. The overall electrochemical reduction follows DISP2 mechanism, ultimately leading to the 5-amino salicylic acid and sulfanilic acid. The rate determining step is the homogenous redox reaction between intermediate hydrazo compound and 5-amino salicylic acid quinoneimine. The mechanism is proposed in which activated complex of 5-amino salicylic acid quinoneimine and intermediate hydrazo compound is formed with the simultaneous loss of one proton.

  11. Antiparasitic activity of prenylated benzoic acid derivatives from Piper species.

    Flores, Ninoska; Jiménez, Ignacio A; Giménez, Alberto; Ruiz, Grace; Gutiérrez, David; Bourdy, Genevieve; Bazzocchi, Isabel L


    Fractionation of dichloromethane extracts from the leaves of Piper heterophyllum and P. aduncum afforded three prenylated hydroxybenzoic acids, 3-[(2E,6E,10E)-11-carboxy-3,7,15-trimethyl-2,6,10,14-hexadecatetraenyl)-4,5-dihydroxybenzoic acid, 3-[(2E,6E,10E)-11-carboxy-13-hydroxy-3,7,15-trimethyl-2,6,10,14-hexadecatetraenyl]-4,5-dihydroxybenzoic acid and 3-[(2E,6E,10E)-11-carboxy-14-hydroxy-3,7,15-trimethyl-2,6,10,15-hexadecatetraenyl]-4,5-dihydroxybenzoic acid, along with the known compounds, 4,5-dihydroxy-3-(E,E,E-11-formyl-3,7,15-trimethyl-hexadeca-2,6,10,14-tetraenyl)benzoic acid (arieianal), 3,4-dihydroxy-5-(E,E,E-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenyl)benzoic acid, 4-hydroxy-3-(E,E,E-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenyl)benzoic acid, 3-(3,7-dimethyl-2,6-octadienyl)-4-methoxy-benzoic acid, 4-hydroxy-3-(3,7-dimethyl-2,6-octadienyl)benzoic acid and 4-hydroxy-3-(3-methyl-1-oxo-2-butenyl)-5-(3-methyl-2-butenyl)benzoic acid. Their structures were elucidated on the basis of spectroscopic data, including homo- and heteronuclear correlation NMR experiments (COSY, HSQC and HMBC) and comparison with data reported in the literature. Riguera ester reactions and optical rotation measurements established the compounds as racemates. The antiparasitic activity of the compounds were tested against three strains of Leishmania spp., Trypanosoma cruzi and Plasmodium falciparum. The results showed that 3-(3,7-dimethyl-2,6-octadienyl)-4-methoxy-benzoic acid exhibited potent and selective activity against L. braziliensis (IC(50) 6.5 microg/ml), higher that pentamidine used as control. Moreover, 3-[(2E,6E,10E)-11-carboxy-3,7,15-trimethyl- 2,6,10,14-hexadecatetraenyl)-4,5-dihydroxybenzoic acid and 4-hydroxy-3-(3-methyl-1-oxo-2-butenyl)-5-(3-methyl-2-butenyl)benzoic acid showed moderate antiplasmodial (IC(50) 3.2 microg/ml) and trypanocidal (16.5 microg/ml) activities, respectively.

  12. Thrombocyte function in relation to the long term application of medroxyprogesterone acetate as a female contraceptive agent

    Mettler L


    Full Text Available In two hundred and twenty eight parous women between thirty and forty years o f age, Medroxyprogesterone acetate 150 mg depot injection every three months proved to be a one hundred per cent contraceptive agent. Minimal side effects were noted with some spotting and amenorrhoea. No significant increase in blood coagula-tion and tendency to thrombosis was noted as tested by the platelet aggregation test during medication.

  13. Interaction Mechanism of Anthracene with Benzoic Acid and Its Derivatives

    HE Ying-Ying; WANG Xiao-Chang; FAN Xiao-Yuan; ZHAO Bo; JIN Peng-Kang


    Interaction mechanism of anthracene, one of the typical polycyclic aromatic hydrocarbons, with benzoic acid and its hydroxyl-substituted derivatives, o-hydroxylbenzoic acid and p-hydroxylbenzoic acid, were studied using FFIR, UV and fluorescence spectra. The experiments confirmed that there was a specific and oriented interaction between anthracene and the aromatic carboxylic acids, and the bonding mode depended on both the chemical struc- ture of reactants and acidity of solution. The π-H hydrogen bond played a main role in the interaction between an-thracene and the aromatic carboxylic proton of benzoic acid or o-hydroxylbenzoic acid when pH≤pK, and the π-π electron donor-acceptor (EDA) interaction increasingly became the main binding mode when pH>pK. The de-crease of interaction intensity of benzoic acid was observed by introducing hydroxyl at its ortho position. The spe-cial D-π-A structure of p-hydroxylbenzoic acid made it easy to form the planar multi-molecule congeries that could interact with anthracene, so the interaction between anthracene and p-hydroxylbenzoic acid always followed the π-π EDA model no matter the solution acidity. For p-hydroxylbenzoic acid, the π-π interaction mode remained un-changed when pH increased from 2.0 to 10.0, and the binding intensity was higher than that between benzoic acid and anthracene because of the formation of the multi-molecule congeries.

  14. Topical use of tea tree oil reduces the dermal absorption of benzoic acid and methiocarb.

    Nielsen, Jesper Bo; Nielsen, Flemming


    Tea tree oil (TTO) is a complex mixture of terpene hydrocarbons. Intensive topical use of TTO in different cosmetics and investigations into its potential as an antimicrobial or anti-inflammatory agent has accentuated the need for studies on the toxicity of TTO. We have applied an experimental in vitro model using static diffusion cells with human skin to study penetration characteristics of terpinen-4-ol and the way TTO affects the barrier integrity of the skin and the percutaneous penetration of two chemicals covering a range of solubilities from 0.03 g/l (methiocarb) to 3.0 g/l (benzoic acid). Through GC-MS analysis we identified the major constituents of TTO. In our experimental set-up with full-thickness skin, only the least lipophilic ingredients of TTO penetrated the skin. Barrier integrity was evaluated through measurement of percutaneous penetration of tritiated water. Data indicate that 1% TTO does not affect barrier conditions. The Kp value for tritiated water was increased significantly at 5% TTO, which demonstrate that the barrier integrity is affected at this relatively low concentration of TTO. The barrier integrity is, however, not seriously damaged, but our data indicate an initiated and concentration-dependent effect on the barrier integrity. TTO changed the penetration characteristics for benzoic acid as well as for methiocarb. The general effect was that TTO reduced the maximal flux. For methiocarb, the lag-time was also prolonged by increasing the TTO concentration in the donor phase to 5%. Thus, TTO reduced the overall amount of benzoic acid as well as methiocarb entering the receptor chamber.

  15. Suitability of the methylene blue test for determination of cation exchange capacity of clay minerals related to ammonium acetate method

    Milošević, Maja; Logar, Mihovil; Dojčinović, Biljana; Erić, Suzana


    Cation exchange capacity (CEC) represents one of the most important parameters of clay minerals which reflects their ability to exchange cations with liquid phases in near contact. Measurement of CEC is used for characterizing sample plasticity, adsorbing and swelling properties which later define their usage in industrial purposes. Several methods have been developed over the years for determination of layer charge, charge density, charge distribution, etc. and have been published in numerous papers (Czimerova et al., 2006; Yukselen and Kaya, 2008). The main goal of present study is comparison of suitability of more recent method - methylene blue test in regard to older method - ammonium acetate for determination of CEC. For this study, we selected one montmorillonite clay (Bogovina, Serbia) and two mainly kaolinite clays (Miličinica, Serbia). Chemicals used for CEC determinations were solution of methylene blue (MB)(14*10-6M/ml) and ammonium acetate (AA) solution (1M). The obtained results are showing generally lower values in case of MB method. The main difference is due to molecular aggregation of MB on the clay surface. AA method is highly sensitive to the presence of CaO. Release of Ca ion from the sample into the solution can limit the saturation of exchange sites by the ammonium ion. This is clearly visible in case of montmorillonite clay. Fe2+ and Mg ions are difficult to move by the ammonium ion because of their ion radius, but in case of MB molecule there is no such restriction in removing them from the exchange sites. MB solution, even in a low concentration (2*10-6M/ml), is showing preferable results in moving the ions from their positions which is already visible after adding a small quantity of solution (25cm3). Both MB-titration and MB-spot test yield similar results and are much simpler methods than AA and they also give other information such as specific surface area (external and internal) whereas AA method only provides information about

  16. Involvement of snapdragon benzaldehyde dehydrogenase in benzoic acid biosynthesis.

    Long, Michael C; Nagegowda, Dinesh A; Kaminaga, Yasuhisa; Ho, Kwok Ki; Kish, Christine M; Schnepp, Jennifer; Sherman, Debra; Weiner, Henry; Rhodes, David; Dudareva, Natalia


    Benzoic acid (BA) is an important building block in a wide spectrum of compounds varying from primary metabolites to secondary products. Benzoic acid biosynthesis from L-phenylalanine requires shortening of the propyl side chain by two carbons, which can occur via a beta-oxidative pathway or a non-beta-oxidative pathway, with benzaldehyde as a key intermediate. The non-beta-oxidative route requires benzaldehyde dehydrogenase (BALDH) to convert benzaldehyde to BA. Using a functional genomic approach, we identified an Antirrhinum majus (snapdragon) BALDH, which exhibits 40% identity to bacterial BALDH. Transcript profiling, biochemical characterization of the purified recombinant protein, molecular homology modeling, in vivo stable isotope labeling, and transient expression in petunia flowers reveal that BALDH is capable of oxidizing benzaldehyde to BA in vivo. GFP localization and immunogold labeling studies show that this biochemical step occurs in the mitochondria, raising a question about the role of subcellular compartmentalization in BA biosynthesis.

  17. Synthesis of p-(Di-n-propylsulphamyl Benzoic Acid

    S. K. Shukla


    Full Text Available A process for the synthesis of p-carboxybenzene sulphonylchloride by oxidation of toluene-p-sulphonylchloride as well as toluene-p-sulphonic acid has been developed. p-carboxybenzene sulphonylchloride on condensation with di-n-propylamine yield p-(di-n-propylsulphamyl -benzoic acid, an uricusuric agent employed in chronic gouty arthritis and used as an antiuric adjuvant known in trade as "Benemid, Probenecid".

  18. HPLC测定醋酸泼尼松片中的有关物质%Determination of the related substances in Prednisone acetate tablet by HPLC

    韩学静; 刘红莉; 闫凯


    目的 采用HPLC法测定醋酸泼尼松片的有关物质.方法 采用DIONEX Acclaim C18色谱柱(250 mm ×4.6 mm,5μm),流动相为乙腈-水(42∶58),检测波长240 nm.结果 泼尼松0.5~30 μg·mL-1与峰面积呈良好线性关系(r=0.9999),最低检测限为0.25 ng;醋酸可的松0.5 ~30 μg·mL-1与峰面积呈良好线性关系(r =0.9999),最低检测限为0.25 ng.结论 所建方法准确、简便、快速,适用于醋酸泼尼松片的质量控制.%OBJECTIVE To determine the related substances in Prednisone acetate tablet by HPLC. METHODS The separation was performed on a DIONEX Acclaim C18 column(250 mm ×4.6 mm,5 μm). The mobile phase was acetonitrile -water(42 : 58). The detection wavelength was set at 240 nm. RESULTS The calibration curve of prednisone showed a good linearity over the range of 0. 5 -30.0 μg-mL-1 (r =0.9999) and the LOD was 0.25 ng. The calibration curve of cortisone acetate showed a good linearity over the range of 0.5 - 30.0 μg · mL-1 ( r = 0. 9999 ) and the LOD was 0. 25 ng. CONCLUSION The method is simple, rapid, accurate and suitable for testing the related substances in Prednisone acetate tablets.

  19. Variable Temperature Infrared Spectroscopy Investigations of Benzoic Acid Desorption from Sodium and Calcium Montmorillonite Clays.

    Nickels, Tara M; Ingram, Audrey L; Maraoulaite, Dalia K; White, Robert L


    Processes involved in thermal desorption of benzoic acid from sodium and calcium montmorillonite clays are investigated by using variable temperature diffuse reflection Fourier transform infrared spectroscopy (DRIFTS). By monitoring the temperature dependence of infrared absorbance bands while heating samples, subtle changes in molecular vibrations are detected and employed to characterize specific benzoic acid adsorption sites. Abrupt changes in benzoic acid adsorption site properties occur for both clay samples at about 125 °C. Difference spectra absorbance band frequency variations indicate that adsorbed benzoic acid interacts with interlayer cations through water bridges and that these interactions can be disrupted by the presence of organic anions, in particular, benzoate.

  20. QSBR study of substituted phenols and benzoic acids


    The biodegradability of 30 substituted phenols and benzoic acids was determined by BOD technique. The molecular weight (MW), heat of formation (Hf) and the energy of the highest occupied molecular orbital (EHOMO) of the studied compounds were calculated by the quantum chemical method MOPAC6.0-AM1. The quantitative structure-biodegradability relationships (QSBRs) were developed by the linear regression method and neural network approach, respectively. It has been shown that the neural network method is able to provide a superior fit to the training set data and test se t data and produce a lower prediction error than the linear regression method.

  1. Benzoic Acid and Chlorobenzoic Acids: Thermodynamic Study of the Pure Compounds and Binary Mixtures With Water.

    Reschke, Thomas; Zherikova, Kseniya V; Verevkin, Sergey P; Held, Christoph


    Benzoic acid is a model compound for drug substances in pharmaceutical research. Process design requires information about thermodynamic phase behavior of benzoic acid and its mixtures with water and organic solvents. This work addresses phase equilibria that determine stability and solubility. In this work, Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) was used to model the phase behavior of aqueous and organic solutions containing benzoic acid and chlorobenzoic acids. Absolute vapor pressures of benzoic acid and 2-, 3-, and 4-chlorobenzoic acid from literature and from our own measurements were used to determine pure-component PC-SAFT parameters. Two binary interaction parameters between water and/or benzoic acid were used to model vapor-liquid and liquid-liquid equilibria of water and/or benzoic acid between 280 and 413 K. The PC-SAFT parameters and 1 binary interaction parameter were used to model aqueous solubility of the chlorobenzoic acids. Additionally, solubility of benzoic acid in organic solvents was predicted without using binary parameters. All results showed that pure-component parameters for benzoic acid and for the chlorobenzoic acids allowed for satisfying modeling phase equilibria. The modeling approach established in this work is a further step to screen solubility and to predict the whole phase region of mixtures containing pharmaceuticals.

  2. An Optical Test Strip for the Detection of Benzoic Acid in Food

    Fatimah Abu Bakar


    Full Text Available Fabrication of a test strip for detection of benzoic acid was successfully implemented by immobilizing tyrosinase, phenol and 3-methyl-2-benzothiazolinone hydrazone (MBTH onto filter paper using polystyrene as polymeric support. The sensing scheme was based on the decreasing intensity of the maroon colour of the test strip when introduced into benzoic acid solution. The test strip was characterized using optical fiber reflectance and has maximum reflectance at 375 nm. It has shown a highly reproducible measurement of benzoic acid with a calculated RSD of 0.47% (n = 10. The detection was optimized at pH 7. A linear response of the biosensor was obtained in 100 to 700 ppm of benzoic acid with a detection limit (LOD of 73.6 ppm. At 1:1 ratio of benzoic acid to interfering substances, the main interfering substance is boric acid. The kinetic analyses show that, the inhibition of benzoic is competitive inhibitor and the inhibition constant (Ki is 52.9 ppm. The activity of immobilized tyrosinase, phenol, and MBTH in the test strip was fairly sustained during 20 days when stored at 3 °C. The developed test strip was used for detection of benzoic acid in food samples and was observed to have comparable results to the HPLC method, hence the developed test strip can be used as an alternative to HPLC in detecting benzoic acid in food products.

  3. Benzoic acid derivatives from Piper species and their fungitoxic activity against Cladosporium cladosporioides and C. sphaerospermum.

    Lago, João Henrique G; Ramos, Clécio Sousa; Casanova, Diego Campos C; Morandim, Andreia de A; Bergamo, Debora Cristina B; Cavalheiro, Alberto J; Bolzani, Vanderlan da S; Furlan, Maysa; Guimarães, Elsie F; Young, Maria Claudia M; Kato, Massuo J


    Piper crassinervium, P. aduncum, P. hostmannianum, and P. gaudichaudianum contain the new benzoic acid derivatives crassinervic acid (1), aduncumene (8), hostmaniane (18), and gaudichaudianic acid (20), respectively, as major secondary metabolites. Additionally, 19 known compounds such as benzoic acids, chromenes, and flavonoids were isolated and identified. The antifungal activity of these compounds was evaluated by bioautographic TLC assay against Cladosporium cladosporioides and C. sphaerospermum.

  4. Obtaining of inulin acetate

    Khusenov, Arslonnazar; Rakhmanberdiev, Gappar; Rakhimov, Dilshod; Khalikov, Muzaffar


    In the article first obtained inulin ester inulin acetate, by etherification of inulin with acetic anhydride has been exposed. Obtained product has been studied using elementary analysis and IR spectroscopy.

  5. Infrared Spectroscopy of Hydrogen Bonds in Benzoic Acid Derivatives

    Tolstorozhev, G. B.; Bel‧kov, M. V.; Skornyakov, I. V.; Bazyl, O. K.; Artyukhov, V. Ya.; Mayer, G. V.; Shadyro, O. I.; Kuzovkov, P. V.; Brinkevich, S. D.; Samovich, S. N.


    We have measured the Fourier transform IR spectra of CCl4 solutions of benzoic acid and its biologically active derivatives. We investigated the proton-acceptor properties of the studied molecules theoretically by the molecular electrostatic potential method. The calculations are compared with experimental results. Based on an estimate of the proton-acceptor properties, we give an interpretation of the specific features of the IR spectra of benzoic acid and its derivatives in the region of the O-H and C = O vibrations. The mechanisms for interactions of the molecules are determined by the nature of substituents which are added to the benzene ring in positions para and meta to the carboxyl group. We identify the conditions for appearance of intermolecular hydrogen bonds of O-H · · · O = C, O-H · · · O-H types with formation of cyclic and linear dimers. We show that intramolecular hydrogen bonds of the type O-H · · · O-CH3 prevent the hydroxyl groups from participating in intermolecular interactions.

  6. Effects of benzoic acid and cadmium toxicity on wheat seedlings

    Kavita Yadav


    Full Text Available Benzoic acid (BA and Cd exhibit cumulative effects on plants due to their accumulation in the soil. The present study reports the effects of BA an allelochemical, Cd and their combinations on seed germination, seedling growth, biochemical parameters, and response of antioxidant enzymes in Triticum aestivum L. The experiment was conducted in sand supplemented with Hoagland nutrient solution. Benzoic acid was applied at concentrations of 0.5, 1.0, and 1.5 mM with or without Cd (7 mg L-1 to observe effects of allelochemical and Cd alone and in combination on wheat. Both stresses exhibited inhibitory effect on growth and metabolism of wheat seedlings. The allelochemical in single and combined treatments with Cd decreased seedling growth as compared to Cd stress. The two stresses significantly enhanced malondialdehyde content of wheat seedlings. The activity of other antioxidant enzymes, viz. superoxide dismutase (SOD, catalase (CAT, ascorbate peroxidase (APX, and guaiacol peroxidase (POX were also recorded. SOD increased in seedlings under the two stresses. CAT more prominently ameliorates the toxic effects of H2O2 as compared with APX and POX and protected wheat seedlings from oxidative stress. Allelochemical buttressed the toxic effect of Cd on wheat seedlings.

  7. Synthesis of Polysubstituted Benzoic Esters from 1,2-Dihydropyridines and Its Application to the Synthesis of Fluorenones.

    Tejedor, David; Prieto-Ramírez, Mary Cruz; Ingold, Mariana; Chicón, Margot; García-Tellado, Fernando


    A convenient, instrumentally simple, and efficient methodology to transform 1,2-dihydropyridines into benzoic esters is described. The generated multisubstituted benzoic esters feature different topologies spanning from simple aromatic rings to fused benzocycloalkane systems. As an extension of this methodology, these benzoic esters are efficiently transformed into an array of fluorenone frameworks featuring interesting and novel topological patterns.

  8. Determination of combined p-hydroxy benzoic acid preservatives in a liquid pharmaceutical formulation by HPLC.

    Shabir, Ghulam A


    This paper describes a reversed-phase high performance liquid chromatographic (RP-HPLC) assay method for the determination of combined p-hydroxy benzoic acid (ethylparaben (EP), methylparaben (MP) and propylparaben (PP)) preservatives in a liquid pharmaceutical formulation. The chromatographic separation was achieved with potassium phosphate buffer (pH 7.05)-methanol (47.5:52.5, v/v) as mobile phase, a Spherisorb C(18) column (250 mm x 4.6mm) and UV detection at 254 nm. The analysis time was 0.9999 in each case. The relative standard deviation (R.S.D.) values for intra- and inter-day precision studies were <1%. The procedure describe here is simple, selective and is suitable for routine quality control analysis and stability tests.

  9. Probe depth matters in dermal microdialysis sampling of benzoic acid after topical application

    Holmgaard, R; Benfeldt, E; Bangsgaard, N


    Microdialysis (MD) in the skin - dermal microdialysis (DMD) - is a unique technique for sampling of topically as well as systemically administered drugs at the site of action, e.g. sampling of dermatological drug concentrations in the dermis. Debate has concerned the existence of a correlation...... between the depth of the sampling device - the probe - in the dermis and the amount of drug sampled following topical drug administration. This study evaluates the relation between probe depth and drug sampling using dermal DMD sampling ex vivo in human skin. We used superficial (...-2 mm) and deep (>2 mm) positioning of the linear MD probe in the dermis of human abdominal skin, followed by topical application of 4 mg/ml of benzoic acid (BA) in skin chambers overlying the probes. Dialysate was sampled every hour for 12 h and analysed for BA content by high-performance liquid...

  10. Simultaneous determination of preservatives (benzoic acid, sorbic acid, methylparaben and propylparaben) in foodstuffs using high-performance liquid chromatography.

    Saad, Bahruddin; Bari, Md Fazlul; Saleh, Muhammad Idiris; Ahmad, Kamarudzaman; Talib, Mohd Khairuddin Mohd


    A reversed-phased HPLC method that allows the separation and simultaneous determination of the preservatives benzoic (BA) and sorbic acids (SA), methyl- (MP) and propylparabens (PP) is described. The separations were effected by using an initial mobile phase of methanol-acetate buffer (pH 4.4) (35:65) to elute BA, SA and MP and changing the mobile phase composition to methanol-acetate buffer (pH 4.4) (50:50) thereafter. The detector wavelength was set at 254 nm. Under these conditions, separation of the four components was achieved in less than 23 min. Analytical characteristics of the separation such as limit of detection, limit of quantification, linear range and reproducibility were evaluated. The developed method was applied to the determination of 67 foodstuffs (mainly imported), comprising soft drinks, jams, sauces, canned fruits/vegetables, dried vegetables/fruits and others. The range of preservatives found were from not detected (nd)--1260, nd--1390, nd--44.8 and nd--221 mg kg(-1) for BA, SA, MP and PP, respectively.

  11. C11-acetate and F-18 FDG PET for men with prostate cancer bone metastases: relative findings and response to therapy.

    Yu, Evan Y; Muzi, Mark; Hackenbracht, Joy A; Rezvani, Brian B; Link, Jeanne M; Montgomery, Robert Bruce; Higano, Celestia S; Eary, Janet F; Mankoff, David A


    This study tested the feasibility of C11-acetate (acetate) positron emission tomography (PET) imaging to assess response to therapy in men with bone metastatic prostate cancer and compared results for disease detection and response evaluation with F-18 fluorodeoxyglucose (FDG) PET. Men with ≥3 prostate cancer bone metastases identified by Tc-99m methylene diphosphonate (MDP) bone scintigraphy and/or computed tomography were enrolled in a prospective study of serial acetate and FDG PET imaging. Patients were imaged before and 6 to 12 weeks after initial androgen deprivation therapy for new metastatic prostate cancer or first-line chemotherapy with docetaxel for castration-resistant prostate cancer. Qualitative assessment and changes in the tumor:normal uptake ratio were used to assess response by both acetate and FDG PET. In addition, the detection of bone metastases pretherapy was compared for acetate and FDG PET. A total of 8 patients with documented bone metastases were imaged, of which 6 were imaged both pre- and post-therapy. Acetate PET detected bone metastases in all 8 patients, whereas FDG PET detected lesions in 6 of the 7 imaged patients. Acetate PET generally detected more metastases with a higher tumor:normal uptake ratio. Qualitative and quantitative assessments of post-treatment response correlated with composite clinical designations of response, stable disease, or progression in 6 of 6 and 5 of 6 by acetate and 4 of 5 and 3 of 5 by FDG PET, respectively. In this pilot study, results indicate that acetate PET holds promise for response assessment of prostate cancer bone metastases and is complementary to FDG PET in bone metastasis detection.

  12. Effect of Magnetite Nano Particles on p-n-Alkyl Benzoic Acid Mesogens

    S. Sreehari Sastry


    Full Text Available The magnetite (Fe3O4 nanoparticles (0.5 wt% of size less than 20 nm doped in p-n-alkyl benzoic acids where n varies from heptyl (7 to nonyl (9 are prepared and the presence of Fe+3 is confirmed through UV-Visible spectrophotometer. Textural and phase transition temperature studies are carried out using polarizing optical microscopy on pure and nano doped p-n-alkyl benzoic acids. These results are further confirmed by DSC at a scan rate of 5ºC/min and dielectric studies. Dielectric studies are carried out, in which the variation of dielectric constant, loss and the conductivity are analyzed with respect to temperatures and frequencies. Increment of relaxation times for nano doped heptyl and nonyl benzoic acids are observed which implies that the dielectric nature is strengthened for the nano doped mesogens. The preference of nano doped p-n-alkyl benzoic acids is discussed.

  13. Desmopressin Acetate in Intracranial Haemorrhage

    Thomas Kapapa


    Full Text Available 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.



    A number of prenylated benzoic acids derivatives with interesting biological activities have been previously isolated and characterized from different species of piperaceae family. Several Piper species contained structurally similar compounds with diverse biological activities such as anti-bacterial, anti-fungal, insecticidal as well as anti-parasitic all of which produces compounds that can be classified as prenylated benzoic acid derivatives. Piper sp has proven to serve as a source of pot...

  15. Acetic acid fermentation of acetobacter pasteurianus: relationship between acetic acid resistance and pellicle polysaccharide formation.

    Kanchanarach, Watchara; Theeragool, Gunjana; Inoue, Taketo; Yakushi, Toshiharu; Adachi, Osao; Matsushita, Kazunobu


    Acetobacter pasteurianus strains IFO3283, SKU1108, and MSU10 were grown under acetic acid fermentation conditions, and their growth behavior was examined together with their capacity for acetic acid resistance and pellicle formation. In the fermentation process, the cells became aggregated and covered by amorphous materials in the late-log and stationary phases, but dispersed again in the second growth phase (due to overoxidation). The morphological change in the cells was accompanied by changes in sugar contents, which might be related to pellicle polysaccharide formation. To determine the relationship between pellicle formation and acetic acid resistance, a pellicle-forming R strain and a non-forming S strain were isolated, and their fermentation ability and acetic acid diffusion activity were compared. The results suggest that pellicle formation is directly related to acetic acid resistance ability, and thus is important to acetic acid fermentation in these A. pasteurianus strains.

  16. Performance of a growth-no growth model for Listeria monocytogenes developed for mayonnaise-based salads: influence of strain variability, food matrix, inoculation level, and presence of sorbic and benzoic acid.

    Vermeulen, A; Smigic, N; Rajkovic, A; Gysemans, K; Bernaerts, K; Geeraerd, A; Van Impe, J; Debevere, J; Devlieghere, F


    A previously developed growth-no growth model for Listeria monocytogenes, based on nutrient broth data and describing the influence of water activity (a(w)), pH, and acetic acid concentrations, was validated (i) for a variety of L. monocytogenes strains and (ii) in a laboratory-made, mayonnaise-based surimi salad (as an example of a mayonnaise-based salad). In these challenge tests, the influence of the inoculation level was tested as well. Also, the influence of chemical preservatives on the growth probability of L. monocytogenes in mayonnaise-based salads was determined. To evaluate the growth-no growth model performance on the validation data, four quantitative criteria are determined: concordance index, % correct predictions, % fail-dangerous, and % fail-safe. First, the growth probability of 11 L. monocytogenes strains, not used for model development, was assessed in nutrient broth under conditions within the interpolation region. Experimental results were compared with model predictions. Second, the growth-no growth model was assessed in a laboratory-made, sterile, mayonnaise-based surimi salad to identify a possible model completeness error related to the food matrix, making use of the above-mentioned validation criteria. Finally, the effect on L. monocytogenes of common chemical preservatives (sorbic and benzoic acid) at different concentrations under conditions typical of mayonnaise-based salads was determined. The study showed that the growth-no growth zone was properly predicted and consistent for all L. monocytogenes strains. A larger prediction error was observed under conditions within the transition zone between growth-no growth. However, in all cases, the classification between no growth (P = 0) and any growth (P > 0) occurred properly, which is most important for the food industry, where outgrowth needs to be prevented in all instances. The results in the sterile mayonnaise-based salad showed again that the growth-no growth zone was well predicted

  17. Disruption of the acetate kinase (ack) gene of Clostridium acetobutylicum results in delayed acetate production.

    Kuit, Wouter; Minton, Nigel P; López-Contreras, Ana M; Eggink, Gerrit


    In microorganisms, the enzyme acetate kinase (AK) catalyses the formation of ATP from ADP by de-phosphorylation of acetyl phosphate into acetic acid. A mutant strain of Clostridium acetobutylicum lacking acetate kinase activity is expected to have reduced acetate and acetone production compared to the wild type. In this work, a C. acetobutylicum mutant strain with a selectively disrupted ack gene, encoding AK, was constructed and genetically and physiologically characterized. The ack (-) strain showed a reduction in acetate kinase activity of more than 97% compared to the wild type. The fermentation profiles of the ack (-) and wild-type strain were compared using two different fermentation media, CGM and CM1. The latter contains acetate and has a higher iron and magnesium content than CGM. In general, fermentations by the mutant strain showed a clear shift in the timing of peak acetate production relative to butyrate and had increased acid uptake after the onset of solvent formation. Specifically, in acetate containing CM1 medium, acetate production was reduced by more than 80% compared to the wild type under the same conditions, but both strains produced similar final amounts of solvents. Fermentations in CGM showed similar peak acetate and butyrate levels, but increased acetoin (60%), ethanol (63%) and butanol (16%) production and reduced lactate (-50%) formation by the mutant compared to the wild type. These findings are in agreement with the proposed regulatory function of butyryl phosphate as opposed to acetyl phosphate in the metabolic switch of solventogenic clostridia.

  18. Acetobacter pasteurianus metabolic change induced by initial acetic acid to adapt to acetic acid fermentation conditions.

    Zheng, Yu; Zhang, Renkuan; Yin, Haisong; Bai, Xiaolei; Chang, Yangang; Xia, Menglei; Wang, Min


    Initial acetic acid can improve the ethanol oxidation rate of acetic acid bacteria for acetic acid fermentation. In this work, Acetobacter pasteurianus was cultured in ethanol-free medium, and energy production was found to increase by 150% through glucose consumption induced by initial acetic acid. However, oxidation of ethanol, instead of glucose, became the main energy production pathway when upon culturing ethanol containing medium. Proteome assay was used to analyze the metabolism change induced by initial acetic acid, which provided insight into carbon metabolic and energy regulation of A. pasteurianus to adapt to acetic acid fermentation conditions. Results were further confirmed by quantitative real-time PCR. In summary, decreased intracellular ATP as a result of initial acetic acid inhibition improved the energy metabolism to produce more energy and thus adapt to the acetic acid fermentation conditions. A. pasteurianus upregulated the expression of enzymes related to TCA and ethanol oxidation to improve the energy metabolism pathway upon the addition of initial acetic acid. However, enzymes involved in the pentose phosphate pathway, the main pathway of glucose metabolism, were downregulated to induce a change in carbon metabolism. Additionally, the enhancement of alcohol dehydrogenase expression promoted ethanol oxidation and strengthened the acetification rate, thereby producing a strong proton motive force that was necessary for energy production and cell tolerance to acetic acid.

  19. Syntheses and fluorescent properties of complexes of Eu(Ⅲ) with HTTA,TPPO and benzoic acid

    ZHAN Xuehui; XIAO Zhongliang; ZHAN Hanhui; ZHAO Xuehui; ZHOU Suian; LI Fei


    A series of Eu(Ⅲ) complexes of α-thenoyltrifluoroacetone(HTTA) with trioctylphosphine oxide(TPPO) and benzoic acid(BA) or its two derivatives, p-toluic acid(PTA) and p-methoxybenzoic acid(POA) were synthesized and were characterized with elemental analysis, IR spectroscopy, scanning electronic microscopy and fluorescent spectra. The complexes were revealed to be Eu(BA)(TTA)2TPPO2, Eu(PTA)(TTA)2TPPO2 and Eu(POA)(TTA)2TPPO2. The excitation and absorption spectra of the complex Eu(POA)(TTA)2TPPO2 in MeOH solution were investigated in detail. The experimental result showed that relatively cheap materials with sharp red luminescence could be pre-pared, when benzoic acid or its two derivatives were added in Eu(Ⅲ) complexes of α-thenoyltdfluoroacetone with trioctylphosphine oxide. The relative fluorescence intensity of the Eu(Ⅲ) complexes decreased in the following order: Eu(POA)(TTA)2TPPO2> Eu(PTA)(TTA)2TPPO2>Eu(BA)(TTA)2TPPO2.

  20. Isoniazid cocrystals with anti-oxidant hydroxy benzoic acids

    Mashhadi, Syed Muddassir Ali; Yunus, Uzma; Bhatti, Moazzam Hussain; Tahir, Muhammad Nawaz


    Isoniazid is the primary constituent of “triple therapy” used to effectively treat tuberculosis. In tuberculosis and other diseases, tissue inflammation and free radical burst from macrophages results in oxidative stress. These free radicals cause pulmonary inflammation if not countered by anti-oxidants. Therefore, in the present study cocrystals of isoniazid with four anti-oxidant hydroxy benzoic acids have been reported. Gallic acid, 2,3-dihydroxybenzoic acid, 3,5-dihydroxybenzoic acid, and 3-hydroxybenzoic acid resulted in the formation of cocrystals when reacted with isoniazid. Cocrystal structure analysis confirmed the existence of pyridine-carboxylic acid synthon in the cocrystals of isoniazid with Gallic acid, 2,3-dihydroxybenzoic acid and 3-hydroxybenzoic acid. While cocrystal of 3,5-dihydroxybenzoic acid formed the pyridine-hydroxy group synthon. Other synthons of different graph sets are formed between hydrazide group of isoniazid and coformers involving Nsbnd H⋯O and Osbnd H⋯N bonds. All the cocrystals were in 1:1 stoichiometric ratio.


    YUAN Guoqing; CHEN Yuying; CHEN Rongyao


    A series of porous microspheres of linear and ethylene diacrylate (M ') cross-linked copolymers of 2 - vinylpyridine (V) and methyl acrylate (M) reacted with tetracarbonyldichlorodirhodium to form a series of cis-dicarbonylrhodium chelate complex (MVRh and MVM 'Rh). They are thermally stable yet very reactive in the carbonylation of methanol to acetic acid, and of methanol - acetic acid mixture to acetic acid and acetic anhydride with a selectivity of 100% under relatively mild and anhydrous conditions.

  2. Highly selective and effective solid phase microextraction of benzoic acid esters using ionic liquid functionalized multiwalled carbon nanotubes-doped polyaniline coating.

    Ai, Youhong; Wu, Mian; Li, Lulu; Zhao, Faqiong; Zeng, Baizhao


    The present work reports the electrochemical fabrication of an ionic liquid functionalized multiwalled carbon nanotubes-polyaniline (MWCNT@IL/PANI) nanocomposite coating and its application in the headspace-solid phase microextraction (HS-SPME) and gas chromatography (GC) determination of benzoic acid esters (i.e., methyl benzoate, ethyl benzoate, propyl benzoate and butyl benzoate). The MWCNTs was firstly functionalized with amine-terminated IL (MWCNT@IL) through chemical reduction, and then was doped in PANI during the electropolymerization of aniline. The resulting coating was characterized by infrared spectroscopy, field emission scanning electron microscopy and thermo gravimetry. It showed net-like structure and had high thermal stability (up to 330°C). Furthermore, it presented high selectivity for the four benzoic acid esters and thus suited for their HS-SPME-GC determination. Results showed that under optimized extraction conditions, the detection limits were less than 6.1ngL(-1) (S/N=3) and the linear detection ranges were 0.012-50μgL(-1) (R≥0.9957) for these analytes. The relative standard deviations (RSDs) were lower than 6.4% for five successive measurements with one fiber, and the RSDs for fiber-to-fiber were 4.4-9.6% (n=5). The developed method was successfully applied to the determination of these benzoic acid esters in perfume samples.

  3. Acetate Kinase Isozymes Confer Robustness in Acetate Metabolism

    Chan, Siu Hung Joshua; Nørregaard, Lasse; Solem, Christian


    strains reveal that AckA1 has a higher capacity for acetate production which allows faster growth in an environment with high acetate concentration. Meanwhile, AckA2 is important for fast acetate-dependent growth at low concentration of acetate. The results demonstrate that the two ACKs have complementary...

  4. Expression of acetate permease-like (apl) genes in subsurface communities of Geobacter species under fluctuating acetate concentrations

    Elifantz, H.; N' Guessan, L.A.; Mouser, P.J.; Williams, K H.; Wilkins, M J.; Risso, C.; Holmes, D.E.; Long, P.E.; Lovley, D.R.


    The addition of acetate to uranium-contaminated aquifers in order to stimulate the growth and activity of Geobacter species that reduce uranium is a promising in situ bioremediation option. Optimizing this bioremediation strategy requires that sufficient acetate be added to promote Geobacter species growth. We hypothesized that under acetate-limiting conditions, subsurface Geobacter species would increase the expression of either putative acetate symporters genes (aplI and aplII). Acetate was added to a uranium-contaminated aquifer (Rifle, CO) in two continuous amendments separated by 5 days of groundwater flush to create changing acetate concentrations. While the expression of aplI in monitoring well D04 (high acetate) weakly correlated with the acetate concentration over time, the transcript levels for this gene were relatively constant in well D08 (low acetate). At the lowest acetate concentrations during the groundwater flush, the transcript levels of aplII were the highest. The expression of aplII decreased 2-10-fold upon acetate reintroduction. However, the overall instability of acetate concentrations throughout the experiment could not support a robust conclusion regarding the role of apl genes in response to acetate limitation under field conditions, in contrast to previous chemostat studies, suggesting that the function of a microbial community cannot be inferred based on lab experiments alone.

  5. Metabolic engineering of Pseudomonas putida KT2440 for the production of para-hydroxy benzoic acid

    Shiqin Yu


    Full Text Available para-hydroxy benzoic acid (PHBA is the key component for preparing parabens, a common preservatives in food, drugs and personal care products, as well as high performance bioplastics such as liquid crystal polymers (LCP. Pseudomonas putida KT2440 was engineered to produce PHBA from glucose via the shikimate pathway intermediate chorismate. To obtain the PHBA production strain, chorismate lyase UbiC from Escherichia coli and a feedback resistant 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase encoded by gene aroGD146N were overexpressed individually and simultaneously. In addition, genes related to product degradation (pobA or competing for the precursor chorismate (pheA and trpE were deleted from the genome. To further improve PHBA production, the glucose metabolism repressor hexR was knocked out in order to increase erythrose-4- phosphate and NAPH supply. The best strain achieved a maximum titre of 1.73 g L-1 and a carbon yield of 18.1 % (C-mol C-mol-1 in a non-optimized fed-batch fermentation. This is to date the highest PHBA concentration produced by P. putida using a chorismate lyase.

  6. Reactions of supercritical water with benzaldehyde, benzylidenebenzylamine, benzyl alcohol and benzoic acid

    Tsao, C.C.; Zhou, Y.; Liu, X.; Houser, T.J. (Western Michigan University, Kalamazoo, MI (USA). Dept. of Chemistry)


    This paper describes the results of reaction of benzaldehyde, benzyl alcohol, benzoic acid, and benzylidenebenzylamine with supercritical water (SW) since these compounds were determined or assumed to be major intermediates in the reaction of benzylamine with SW. Supplementary information was obtained from the benzyl benzoate-SW reaction. The kinetics of the benzaldehyde-SW reaction were found to be complex, second-order in benzaldehyde, and inhibited by product(s). The Arrhenius parameters for the second-order rate constant are an activation energy of 179 kJ mol[sup -1] and preexponential factor of 1.6 x 10 (10) M[sup -1]s[sup -1]. In addition, the influences of ammonia and dihydroanthracene on some of the product distributions and extents of reaction were determined. Of particular interest is the reaction pathway leading to the formation of benzene and related products which requires an oxidation/hydrolysis sequence, terminated by decarboxylation to form hydrocarbons. The mechanistic significance of the benzene/tpluene product-yield ratios is discussed.

  7. Metabolic Engineering of Pseudomonas putida KT2440 for the Production of para-Hydroxy Benzoic Acid

    Yu, Shiqin; Plan, Manuel R.; Winter, Gal; Krömer, Jens O.


    para-Hydroxy benzoic acid (PHBA) is the key component for preparing parabens, a common preservatives in food, drugs, and personal care products, as well as high-performance bioplastics such as liquid crystal polymers. Pseudomonas putida KT2440 was engineered to produce PHBA from glucose via the shikimate pathway intermediate chorismate. To obtain the PHBA production strain, chorismate lyase UbiC from Escherichia coli and a feedback resistant 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase encoded by gene aroGD146N were overexpressed individually and simultaneously. In addition, genes related to product degradation (pobA) or competing for the precursor chorismate (pheA and trpE) were deleted from the genome. To further improve PHBA production, the glucose metabolism repressor hexR was knocked out in order to increase erythrose 4-phosphate and NADPH supply. The best strain achieved a maximum titer of 1.73 g L−1 and a carbon yield of 18.1% (C-mol C-mol−1) in a non-optimized fed-batch fermentation. This is to date the highest PHBA concentration produced by P. putida using a chorismate lyase. PMID:27965953

  8. Photoelectrocatalytic degradation of benzoic acid using Au doped TiO2 thin films.

    Mohite, V S; Mahadik, M A; Kumbhar, S S; Hunge, Y M; Kim, J H; Moholkar, A V; Rajpure, K Y; Bhosale, C H


    Highly transparent pure and Au doped TiO2 thin films are successfully deposited by using simple chemical spray pyrolysis technique. The effect of Au doping onto the structural and physicochemical properties has been investigated. The PEC study shows that, both short circuit current (Isc) and open circuit voltage (Voc) are (Isc=1.81mA and Voc=890mV) relatively higher at 3at.% Au doping percentage. XRD study shows that the films are nanocrystalline in nature with tetragonal crystal structure. FESEM images show that the film surface covered with a smooth, uniform, compact and rice shaped nanoparticles. The Au doped thin films exhibit indirect band gap, decreases from 3.23 to 3.09eV with increase in Au doping. The chemical composition and valence states of pure and Au doped TiO2 films are studied by using X-ray photoelectron spectroscopy. The photocatalytic degradation effect is 49% higher in case 3at.% Au doped TiO2 than the pure TiO2 thin film photoelectrodes in the degradation of benzoic acid. It is revealed that Au doped TiO2 can be reused for five cycles of experiments without a requirement of post-treatment while the degradation efficiency was retained.

  9. A Direct, Biomass-Based Synthesis of Benzoic Acid: Formic Acid-Mediated Deoxygenation of the Glucose-Derived Materials Quinic Acid and Shikimic Acid

    Arceo, Elena; Ellman, Jonathan; Bergman, Robert


    An alternative biomass-based route to benzoic acid from the renewable starting materials quinic acid and shikimic acid is described. Benzoic acid is obtained selectively using a highly efficient, one-step formic acid-mediated deoxygenation method.


    Ibrahim Malami


    Full Text Available A number of prenylated benzoic acids derivatives with interesting biological activities have been previously isolated and characterized from different species of piperaceae family. Several Piper species contained structurally similar compounds with diverse biological activities such as anti-bacterial, anti-fungal, insecticidal as well as anti-parasitic all of which produces compounds that can be classified as prenylated benzoic acid derivatives. Piper sp has proven to serve as a source of potential anti-infective agents by developing a biosynthetic route to the synthesis of prenylated benzoic acids derivative natural products as their chemical defense system. Despite the frequent isolation of these interesting compounds with strong biological activity, yet none have been taking into consideration for development into therapeutic agents.

  11. Preliminary Study on Benzoic Acid Adsorption from Crude Active Coals and Bentonite

    Abbes Boucheta


    Full Text Available We studied the adsorption of pollutant benzoic acid by the modified bentonite of Maghnia (west of Algeria, and coal (Coal from the mines, southwest of Algeria, Bechar area under three forms, crude and activated. Kinetic data show that the balance of bentonite (as amended adsorbs organic acids better than activated and raw coal. Indeed, the intercalation of bentonite with benzoic acid causes an improvement in the texture of porous material, which allows its use in the adsorption of organic compounds. The adsorption isotherms (Langmuir and Freundlich indicate that the adsorption of benzoic acid by the coal and bentonite yielded results favorably. The results obtained showed the practical value of using the activated coal and bentonite (as amended in the field of remediation of water contaminated with organic pollutants

  12. Transcriptome analysis of acetic-acid-treated yeast cells identifies a large set of genes whose overexpression or deletion enhances acetic acid tolerance.

    Lee, Yeji; Nasution, Olviyani; Choi, Eunyong; Choi, In-Geol; Kim, Wankee; Choi, Wonja


    Acetic acid inhibits the metabolic activities of Saccharomyces cerevisiae. Therefore, a better understanding of how S. cerevisiae cells acquire the tolerance to acetic acid is of importance to develop robust yeast strains to be used in industry. To do this, we examined the transcriptional changes that occur at 12 h post-exposure to acetic acid, revealing that 56 and 58 genes were upregulated and downregulated, respectively. Functional categorization of them revealed that 22 protein synthesis genes and 14 stress response genes constituted the largest portion of the upregulated and downregulated genes, respectively. To evaluate the association of the regulated genes with acetic acid tolerance, 3 upregulated genes (DBP2, ASC1, and GND1) were selected among 34 non-protein synthesis genes, and 54 viable mutants individually deleted for the downregulated genes were retrieved from the non-essential haploid deletion library. Strains overexpressing ASC1 and GND1 displayed enhanced tolerance to acetic acid, whereas a strain overexpressing DBP2 was sensitive. Fifty of 54 deletion mutants displayed enhanced acetic acid tolerance. Three chosen deletion mutants (hsps82Δ, ato2Δ, and ssa3Δ) were also tolerant to benzoic acid but not propionic and sorbic acids. Moreover, all those five (two overexpressing and three deleted) strains were more efficient in proton efflux and lower in membrane permeability and internal hydrogen peroxide content than controls. Individually or in combination, those physiological changes are likely to contribute at least in part to enhanced acetic acid tolerance. Overall, information of our transcriptional profile was very useful to identify molecular factors associated with acetic acid tolerance.

  13. Optical Dephasing in a Glass-like System : A Photon Echo Study of Pentacene in Benzoic Acid

    Duppen, Koos; Molenkamp, Laurens W.; Morsink, Jos B.W.; Wiersma, Douwe A.; Trommsdorff, H.P.


    Optical absorption and picosecond photon echo experiments are used to study the dephasing of pentacene in benzoic acid. It is shown that, while the absorption spectrum of pentacene is effected by proton transfer in the benzoic acid dimer, the dephasing is caused by elastic and inelastic phonon scatt

  14. Placental passage of benzoic acid, caffeine, and glyphosate in an ex vivo human perfusion system

    Mose, Tina; Kjaerstad, Mia Birkhoej; Mathiesen, Line


    group of compounds. Benzoic acid, caffeine, and glyphosate were chosen as model compounds because they are small molecules with large differences in physiochemical properties. Caffeine crossed the placenta by passive diffusion. The initial transfer rate of benzoic acid was more limited in the first part...... of the perfusion compared to caffeine, but reached the same steady-state level by the end of perfusion. The transfer of glyphosate was restricted throughout perfusion, with a lower permeation rate, and only around 15% glyphosate in maternal circulation crossed to the fetal circulation during the study period....



    suspicion of poisoning are illnesses in a number of pre- viously healthy animals, at the same time, and showing. *Corresponding ... hepatocytes, the major cell type in the liver. ALT is often ... level is also increased in cases of liver cell death resulting from ...... Acetate on the Neural Development of Chick Embryos. Radostitis ...

  16. Spectroscopic studies on the interaction between norfloxacin and p-amino benzoic acid: Analytical application on determination of norfloxacin

    More, V. R.; Mote, U. S.; Patil, S. R.; Kolekar, G. B.


    Fluorescence (Förster) Resonance Energy Transfer (FRET) between norfloxacin (NF) and p-amino benzoic acid (PABA) has been investigated by fluorescence and UV-vis absorption spectroscopy. It was found that the quenching of fluorescence of PABA is followed by simultaneous sensitization of NF fluorescence. The hydrophobic and electrostatic interaction plays an important role to stabilize the complex. The binding constant ( K), binding site number ( n) and corresponding thermodynamic parameters like free energy change (Δ G), enthalpy change (Δ H) and entropy change (Δ S) were determined according to van't Hoff equation. Using FRET, the distance ( r) between donor (PABA) and acceptor (NF) was obtained. This method is simple, selective and relatively free of interference from co-existing substances. The method was successfully applied to the determination of norfloxacin from pharmaceutical tablets.

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

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


    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.

  18. Concurrent profiling of indole-3-acetic acid, abscisic acid, and cytokinins and structurally related purines by high-performance-liquid-chromatography tandem electrospray mass spectrometry

    Farrow Scott C


    Full Text Available Abstract Background Cytokinins (CKs are a group of plant growth regulators that are involved in several plant developmental processes. Despite the breadth of knowledge surrounding CKs and their diverse functions, much remains to be discovered about the full potential of CKs, including their relationship with the purine salvage pathway, and other phytohormones. The most widely used approach to query unknown facets of CK biology utilized functional genomics coupled with CK metabolite assays and screening of CK associated phenotypes. There are numerous different types of assays for determining CK quantity, however, none of these methods screen for the compendium of metabolites that are necessary for elucidating all roles, including purine salvage pathway enzymes in CK metabolism, and CK cross-talk with other phytohormones. Furthermore, all published analytical methods have drawbacks ranging from the required use of radiolabelled compounds, or hazardous derivatization reagents, poor sensitivity, lack of resolution between CK isomers and lengthy run times. Results In this paper, a method is described for the concurrent extraction, purification and analysis of several CKs (freebases, ribosides, glucosides, nucleotides, purines (adenosine monophosphate, inosine, adenosine, and adenine, indole-3-acetic acid, and abscisic acid from hundred-milligram (mg quantities of Arabidopsis thaliana leaf tissue. This method utilizes conventional Bieleski solvents extraction, solid phase purification, and is unique because of its diverse range of detectable analytes, and implementation of a conventional HPLC system with a fused core column that enables good sensitivity without the requirement of a UHPLC system. Using this method we were able to resolve CKs about twice as fast as our previous method. Similarly, analysis of adenosine, indole-3-acetic acid, and abscisic acid, was comparatively rapid. A further enhancement of the method was the utilization of a QTRAP

  19. Catalytic Ring Hydrogenation of Benzoic Acid with Supported Transition Metal Catalysts in scCO2


    The ring hydrogenation of benzoic acid to cyclohexanecarboxylic acid over charcoal-supported transition metal catalysts in supercritical CO2 medium has been studied in the present work. The cyclohexanecarboxylic acid can be produced efficiently in supercritical CO2 at the low reaction temperature of 323 K. The presence of CO2 increases the reaction rate and several parameters have been discussed.

  20. Effect of benzoic acid supplementation on acid-base status and mineralmetabolism in catheterized growing pigs

    Nørgaard, Jan Værum; Fernández, José Adalberto; Sørensen, Kristina Ulrich;


    Benzoic acid (BA) in diets for growing pigs results in urinary acidification and reduced ammonia emission. The objective was to study the impact of BA supplementation on the acid-base status and mineral metabolism in pigs. Eight female 50-kg pigs, fitted with a catheter in the abdominal aorta, were...

  1. 40 CFR 721.1728 - Benzoic acid, 2-(3-phenylbutylidene)amino-, methyl ester.


    ...)amino-, methyl ester. 721.1728 Section 721.1728 Protection of Environment ENVIRONMENTAL PROTECTION...-, methyl ester. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzoic acid, 2-(3-phenylbutylidene)amino-, methyl ester (PMN P-85-1211) is...

  2. Catalytic Ring Hydrogenation of Benzoic Acid with Supported Transition Metal Catalysts in scCO2

    Fengyu Zhao


    Full Text Available The ring hydrogenation of benzoic acid to cyclohexanecarboxylic acid overcharcoal-supported transition metal catalysts in supercritical CO2 medium has been studiedin the present work. The cyclohexanecarboxylic acid can be produced efficiently insupercritical CO2 at the low reaction temperature of 323 K. The presence of CO2 increasesthe reaction rate and several parameters have been discussed.

  3. A More Challenging Interpretative Nitration Experiment Employing Substituted Benzoic Acids and Acetanilides

    Treadwell, Edward M.; Lin, Tung-Yin


    An experiment is described involving the nitration of ortho or meta monosubstituted benzoic acids (XC[subscript 6]H[subscript 4]CO[subscript 2]H, X = Halogen, Me, OH, or OMe) and monochlorinated acetanilides with nitric acid to determine the regioselectivity of addition by [superscript 1]H NMR spectroscopy and molecular modeling. Students were…

  4. Caldensinic acid, a benzoic acid derivative and others compounds from Piper carniconnectivum

    Alves, Harley da Silva; Souza, Maria de Fatima Vanderlei de; Chaves, Maria Celia de Oliveira, E-mail: cchaves@ltf.ufpb.b [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Lab. de Tecnologia Farmaceutica


    A benzoic acid derivative - caldensinic acid, E-phythyl hexadecanoate, {beta}-sitosterol and stigmasterol mixture and phaeophytin a were isolated from the aerial parts of Piper carniconnectivum. The structures of these compounds were established unambiguously by IR, MS, 1D and 2D NMR analysis. (author)

  5. Deoxygenation of benzoic acid on metal oxides. 2. Formation of byproducts.

    de Lange, M.W.; van Ommen, J.G.; Lefferts, Leonardus


    Benzene, benzophenone, toluene and benzylalcohol are byproducts in the selective deoxygenation of benzoic acid to benzaldehyde on ZnO and ZrO2. In this paper, the pathways to the byproducts are discussed and a complete overview of the reaction network is presented. Benzene and benzophenone are produ

  6. Comparative thermodynamic study on complex formation of native and hydroxypropylated cyclodextrins with benzoic acid

    Terekhova, Irina V., E-mail: [Institute of Solution Chemistry of RAS, Ivanovo (Russian Federation)


    Highlights: Black-Right-Pointing-Pointer Comparative calorimetric study on complexation of benzoic acid by native and modified cyclodextrins was performed. Black-Right-Pointing-Pointer Van der Waals interactions are responsible for complex formation with {alpha}-cyclodextrins. Black-Right-Pointing-Pointer Complex formation of {beta}-cyclodextrins is governed by dehydration and hydrophobic interactions. Black-Right-Pointing-Pointer Binding of two benzoic acid molecules by {gamma}-cyclodextrins is driven by van der Waals interactions and solvent reorganization. Black-Right-Pointing-Pointer Hydroxypropyl groups favor binding of benzoic acid only with hydroxypropyl-{beta}-cyclodextrin. - Abstract: Complex formation of native and hydroxypropylated {alpha}-, {beta}- and {gamma}-cyclodextrins with benzoic acid in water was studied by means of calorimetry of solution at 298.15 K. The 1:1 complexes are formed with {alpha}- and {beta}-cyclodextrins, while 1:2 binding stoichiometry was observed for {gamma}-cyclodextrins. Thermodynamic parameters of complex formation of hydroxypropylated cyclodextrins were determined for the first time and analyzed. Comparison of binding affinity of native and modified cyclodextrins was carried out.

  7. 4-[(2-Hydroxy-4-pentadecyl-benzylidene-amino]-benzoic Acid Methyl Ester

    Gadada Naganagowda


    Full Text Available A new Schiff base, 4-[(2-hydroxy-4-pentadecyl-benzylidene-amino]-benzoic acid methyl ester was synthesized and its UV, IR, 1H-NMR, 13C-NMR and ESI-MS spectroscopic data are presented.

  8. Correlation between chemical structure and rodent repellency of benzoic acid derivatives

    Fearn, J.E.; DeWitt, J.B.


    Sixty-five benzoic acid derivatives were either prepared or obtained from commercial concerns, tested for rat repellency, and their indices of repellency computed. The data from these tests were considered analytically for any correlation between chemical structure and rat repellency. The results suggest a qualitative relationship which is useful in deciding probability of repellency in other compounds.

  9. A new flavonoid with a benzoic acid substituent from Selaginella uncinata

    Jun Xia Zheng; Nai Li Wang; Hao Gao; Hong Wei Liu; Hai Feng Chen; Ming Fan; Xin Sheng Yao


    6-(5-Carboxyl-2-methoxyphenyl)-apigenin (1), a new flavonoid, was isolated from the 60% ethanol extract of Selaginella uncinata (Desv.) Spring. Its structure was established by spectroscopic methods. Compound 1 represents the first example of the flavonoids possessing a benzoic acid substituent at C-6.

  10. Pharmacological Studies of p, N-(3, 4-Methylenedioxy phenyl Benzoic Acid (RRL-1364 - Part-I

    Dahanukar Sharadini


    Full Text Available Detailed pharmacological investigations of p-N-(3, 4-methylene dioxy phenyl benzoic acid revealed marked hypotensive action which was dose dependent and most marked in cats; it was absent in rats. Atropine could block this hypotensive action, thus suggest-ing cholinomimetic mechanism. Further studies indicated that the hypotension produced was central and possibly medullary in origin.

  11. Deoxygenation of benzoic acid on metal oxides. 2. Formation of byproducts.

    Lange, de M.W.; Ommen, van J.G.; Lefferts, L.


    Benzene, benzophenone, toluene and benzylalcohol are byproducts in the selective deoxygenation of benzoic acid to benzaldehyde on ZnO and ZrO2. In this paper, the pathways to the byproducts are discussed and a complete overview of the reaction network is presented. Benzene and benzophenone are produ

  12. Deoxygenation of benzoic acid on metal oxides. I. The selective pathway to benzaldehyde

    Lange, de M.W.; Ommen, van J.G.; Lefferts, L.


    The mechanism of the selective deoxygenation of benzoic acid to benzaldehyde was studied on ZnO and ZrO2. The results show conclusively that the reaction proceeds as a reverse type of Mars and van Krevelen mechanism consisting of two steps: hydrogen activates the oxide by reduction resulting in the


    A. G. Savvina


    Full Text Available The widespread use of aromatic acids (benzoic acid, salicylic as preservatives necessitates their qualitative and quantitative determination in food. Effective and common way to separation and concentration of aromatic acids liquid extraction. Biphasic system of water-soluble polymers based on (poly-N-vinyl pyrrolidone, and poly-N-vinylcaprolactam satisfy the requirements of the extraction system. When sorption concentration improved definition of the metrological characteristics, comply with the requirements for sensitivity and selectivity definition appears possible, use of inexpensive and readily available analytical equipment. When studying the adsorption of benzoic acid used as a sorbent crosslinked polymer based on N-vinyl pyrrolidone, obtained by radical polymerisation of a functional monomer and crosslinker. In the extraction of benzoic acid to maximize the allocation of water and the organic phase of the polymer used salt solutions with concentrations close to saturation. Regardless of the nature of the anion salt is used as salting-out agent, aromatic acids sorption increases with the size of the cations. In the experiment the maximum recovery rate (80% benzoic acid obtained in the PVP (0.2 weight%. Ammonium sulphate. The dependence stepepni benzoic acid extraction from time sorption sorbent mass and the pH of the aqueous phase. To establish equilibrium in the system, for 20 minutes. The dependence of the degree of extraction of the acid pH indicates that the acid is extracted into the molecular form. The maximum adsorption is reached at pH 3,5, with its efficiency decreases symbatically reduce the amount of undissociated acid molecules in solution.

  14. Preparing Process of Cerium Acetate and Rare Earth Acetate

    Qiao Jun; Ma Ying; Xu Yanhui; Zhang Jun; Chang Shu; Hao Xianku


    Preparing process was presented and the influences of concentration of acetic acid, reaction temperature, the ratio of cerium carbonate and acetic acid, heat preservation time to the yield of cerium acetate were discussed.The crystalline cerium acetate and rare earth acetate such as ( La, Ce, Pr, Nd) (Ac) 3, ( Ce, Pr, Nd) (Ac) 3, ( Pr, Nd, Er,Y) (Ac) 3 and yttrium acetate were prepared under this condition.The shape, structure and composition of the crystals were determined by the methods of SEM, TG-DTA, X-ray diffraction and chemical analysis.The optimum prepared conditions of cerium acetate were described.This prepared process has characteristics such as simple process route, low cost, high yield, good quality, no pollution to environment, etc.

  15. Photorheologically reversible micelle composed of polymerizable cationic surfactant and 4-phenylazo benzoic acid☆

    Jie Chen; Bo Fang; Hao Jin; Licheng Yu; Meng Tian; Kejing Li; Leiping Jin; Mo Yang


    A photorheologically reversible micelle composed of polymerizable cationic surfactant n-cetyl dimethylallyl am-monium chloride (CDAAC) and trans-4-phenylazo benzoic acid (trans-ACA) was prepared. The effects of molar ratio of CDAAC/trans-ACA, time of UV and visible light irradiation and temperature on the rheological properties of micellar system were investigated. The results show that before UV irradiation the system with an optimum CDAAC/trans-ACA molar ratio of 1.4 forms viscoelastic micelles at 45 °C. After 365 nm UV irradiation, the viscos-ities of micel e systems with different concentrations at fixed molar ratio of 1.4 are decreased by 85%–95%. The CDAAC/trans-ACA (14 mmol·L−1/10 mmol·L−1) micel e system exhibits shear thinning property and its viscos-ity is decreased obviously with the increases of UV irradiation time less than 1 h. The rheological process during UV irradiation for CDAAC/trans-ACA (14 mmol·L−1/10 mmol·L−1) micelle proves that viscosity, elastic modulus G′and viscous modulus G″will reduce quickly with the UV light. Furthermore, the micelle system after 1 h UV-irradiation is able to revert to its initial high viscosity with 460 nm visible light irradiation for 4 h, and the micelle can be cycled between low and high viscosity states by repetitive UV and visible light irradiations. The UV–Vis spectra of CDAAC/trans-ACA micelle indicate that its photosensitive rheological properties are related closely to photoisomerization of trans-ACA to cis-ACA.

  16. Methane-to-acetic acid synthesis matriculates at Penn State

    Rotman, D.


    Direct conversion of methane to commercially valuable chemicals remains one of the grails of industrial chemistry. But scientists at Pennsylvania State University (University Park) appear to have made a significant step forward, reporting the direct catalytic conversion of methane into acetic acid under relatively mild conditions. Commercial acetic production involves a three-step process, including steam reforming of methane to synthesis gas (syngas) and the carbonylation of methanol of acetic acid.

  17. 取代苯甲酸类化合物在正辛醇中的固液平衡%Solid-Liquid Equilibria of Benzoic Acid Derivatives in 1-Octanol

    贾青竹; 马沛生; 马少娜; 王昶


    The solid-liquid equilibrium of benzoic acid derivatives in 1-octanol was first determined in this article.Using a laser monitoring observation technique, the solubility data of o-amino-benzoic acid, p-amino-benzoic acid,o-chloro-benzoic acid, and m-nitro-benzoic acid in 1-octanol were measured by the polythermal method in the temperature range of 20-50 ℃. The experimental data were regressed with the Wilson equation and the λH equation. The experimental results showed that the solubility of the four chemicals in 1-octanol increased significantly with temperature. The results indicate that the molecular structure and interactions affect the solubility significantly.The solubility order of the benzoic acid derivatives is as follows: m-nitro-benzoic acid>o-chloro-benzoic acid>o-amino-benzoic acid>p-amino-benzoic acid. Both the Wilson equation and λH equation are in good agreement with the experimental data.

  18. 4-Carbamoylpiperidinium acetate monohydrate

    Urs D. Wermuth


    Full Text Available In the structure of the title compound, C6H13N2O+·C2H3O2−·H2O, the amide H atoms of the cations form centrosymmetric cyclic hydrogen-bonding associations incorporating two water molecules [graph set R42(8], which are conjoint with cyclic water-bridged amide–amide associations [R44(12] and larger R44(20 associations involving the water molecule and the acetate anions, which bridge through the piperidinium H-bond donors, giving an overall three-dimensional framework structure.

  19. 1'-Acetoxychavicol acetate ameliorates age-related spatial memory deterioration by increasing serum ketone body production as a complementary energy source for neuronal cells.

    Kojima-Yuasa, Akiko; Yamamoto, Tomiya; Yaku, Keisuke; Hirota, Shiori; Takenaka, Shigeo; Kawabe, Kouichi; Matsui-Yuasa, Isao


    1'-Acetoxychavicol acetate (ACA) is naturally obtained from the rhizomes and seeds of Alpinia galangal. Here, we examined the effect of ACA on learning and memory in senescence-accelerated mice prone 8 (SAMP8). In mice that were fed a control diet containing 0.02% ACA for 25 weeks, the learning ability in the Morris water maze test was significantly enhanced in comparison with mice that were fed the control diet alone. In the Y-maze test, SAMP8 mice showed decreased spontaneous alterations in comparison with senescence-accelerated resistant/1 (SAMR1) mice, a homologous control, which was improved by ACA pretreatment. Serum metabolite profiles were obtained by GC-MS analysis, and each metabolic profile was plotted on a 3D score plot. Based upon the diagram, it can be seen that the distribution areas for the three groups were completely separate. Furthermore, the contents of β-hydroxybutyric acid and palmitic acid in the serum of SAMP8-ACA mice were higher than those of SAMP8-control mice and SAMR1-control mice. We also found that SAMR1 mice did not show histological abnormalities, whereas histological damage in the CA1 region of the hippocampus in SAMP8-control mice was observed. However, SAMP8-ACA mice were observed in a similar manner as SAMR1 mice. These findings confirm that ACA increases the serum concentrations of β-hydroxybutyric acid and palmitic acid levels and thus these fuels might contribute to the maintenance of the cognitive performance of SAMP8 mice.

  20. The acetate kinase of Clostridum acetobutylicum strain P262.

    Diez-Gonzalez, F; Russell, J B; Hunter, J B


    Clostridum acetobutylicum strain P262 fermented glucose, pyruvate, or lactate, and the butyrate production was substrate-dependent. Differences in butyrate yield could not be explained by changes in butyrate kinase activities, but the butyrate production was inversely related to acetate kinase activity. The acetate kinase had a pH optimum of 8.0, a Km for acetate of 160 mM, and a kcat of 16, 800 min-1. The enyzme had a native molecular mass of 78 kDa; the size of 42 kDa on SDS-PAGE indicated that the acetate kinase of strain P262 was a homodimer.

  1. Threshold Acetate Concentrations for Acetate Catabolism by Aceticlastic Methanogenic Bacteria

    Westermann, Peter; Ahring, Birgitte K.; Mah, Robert A.


    Marked differences were found for minimum threshold concentrations of acetate catabolism by Methanosarcina barkeri 227 (1.180 mM), Methanosarcina mazei S-6 (0.396 mM), and a Methanothrix sp. (0.069 mM). This indicates that the aceticlastic methanogens responsible for the conversion of acetate to methane in various ecosystems might be different, depending on the prevailing in situ acetate concentrations.

  2. Kallolide A acetate pyrazoline.

    Rodríguez-Escudero, Idaliz; Marrero, Jeffrey; Rodríguez, Abimael D


    IN THE CRYSTAL STRUCTURE OF KALLOLIDE A ACETATE PYRAZOLINE [SYSTEMATIC NAME: 7-methyl-16-oxo-4,10-bis-(prop-1-en-2-yl)-17,18-dioxa-14,15-diaza-tetra-cyclo-[,9).0(1,12)]octa-deca-6,8,14-trien-5-yl acetate], C(23)H(28)N(2)O(5), there is a 12-member-ed carbon macrocyclic structure. In addition, there is a tris-ubstituted furan ring, an approximately planar γ-lactone ring [maximum deviation of 0.057 (3) Å] and a pyraz-oline ring, the latter in an envelope conformation. The pyrazoline and the γ-lactone rings are fused in a cis configuration. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming a two-dimensional network parallel to (001). An intra-molecular C-H⋯O hydrogen bond is also present.

  3. [Roxatidine acetate in therapy of reflux esophagitis].

    Friedrich, P; Botzler, R; Mayershofer, R; Kriech, W


    A total of 3409 patients with gastro-oesophageal reflux disease were treated with roxatidine acetate. 60.7% of the patients received a daily dose of 2 x 75 mg roxatidine acetate, and the median duration of treatment was 5 weeks. Symptoms improved in about 90% of patients. For 1687 patients, endoscopic findings were available at the beginning and end of the treatment period. The overall endoscopic healing rate was 65.3%, and, depending on the initial finding (if), decreased from 92.9% (if: Savary-Miller stage I) to 67.5% (if: stage II), 40.7% (if: stage III), and to 22.5% (if: stage IV). Twenty-one patients experienced adverse events during the course of treatment, which, however, were either only minor or not related to the use of roxatidine acetate.

  4. Prostaglandin release by cultured endometrial tissues after challenge with lipopolysaccharide and tumor necrosis factor α, in relation to the estrous cycle, treatment with medroxyprogesterone acetate, and pyometra.

    Jursza-Piotrowska, Ewelina; Socha, Piotr; Skarzynski, Dariusz Jan; Siemieniuch, Marta Jolanta


    To better understand the pathogenesis of endometrial changes in cats associated with administration of progestagen contraceptives and with pyometra, we examined local variability of the prostaglandin synthesis system after challenge with either tumor necrosis factor α (TNF-α) or lipopolysaccharide (LPS) in organ cultures of endometrial tissues derived from cyclic cats, cats treated with medroxyprogesterone acetate (MPA), or cats with pyometra, as well as in cultured endometrial epithelial and stromal cells. In addition, spontaneous prostaglandin secretion was compared in endometria from different experimental groups. Data gathered in the present study show that the concentration of PGE2 in supernatants was increased only in endometrial organ cultures from cats with pyometra (P < 0.001) compared with other groups. This was also true for PGF2α in pyometra, compared with cats treated either short- or long-term with MPA and cats during late diestrus (P < 0.001), anestrus (P < 0.01), and estrus and middiestrus (P < 0.05). Treatment with LPS and TNF-α combined stimulated PGE2 secretion in all groups compared with the control (P < 0.001 for endometria of cats during anestrus or middiestrus, cats treated short-term with MPA, and those with pyometra; P < 0.01 for endometria of cats treated long-term with MPA; and P < 0.05 for the endometria of cats during estrus and late diestrus). The combined treatment with LPS and TNF-α increased PGF2α secretion in the endometria of cats treated short-term with MPA (P < 0.001), during anestrus and pyometra (P < 0.01 for both), and estrus and middiestrus (P < 0.05 for both), compared with the control. Spontaneous secretion of prostaglandins was several times greater in the endometria of queens with pyometra, compared with other groups, which may further regulate the local inflammatory response. Data gathered from endometrial cell culture and endometrial organ culture lead to the conclusion that disturbances in prostaglandin release

  5. Syntheses,characteristics,and fluorescence properties of complexes of europium with benzoic acid and its derivatives

    ZHOU Zhongcheng; SHU Wangen; RUAN Jianming; HUANG Boyun; LIU Younian


    The binary complexes of europium with benzoic acid and its derivatives (phthalic acid, m-phthalic acid,o-aminobenzoic acid, salicylic acid, and sulfosalicylic acid) were synthesized and their compositions were identified by elemental analyses. UV and IR of the complexes have been investigated. The UV spectra indicated that the complexes' ultraviolet absorption were mainly the ligands' absorption. The IR spectra showed that the IR spectra of complexes are different from those of free ligands. The fluorescence properties of them were investigated by using luminescence spectroscopy, the results showed that only three complexes appear as better luminescence, they were Eu-benzoic acid,Eu-m-phthalic acid and Eu-phthalic acid, while the others exhibited the ligands' wideband emission.

  6. Urine acidification and mineral metabolism in growing pigs feddiets supplemented with dietary methionine and benzoic acid

    Nørgaard, Jan Værum; Fernández, José Adalberto; Eriksen, Jørgen


    Benzoic acid (BA) reduces pH of urine and thereby reduces the emission of ammonia and possibly also odorous sulphur-compounds from slurry. The effect of BA on mineral metabolism in growing pigs is not clear. The objective was therefore to study the effect of BA and methionine (Met) as a sulphur (S...... d adaptation period and a 7 d period with collection of faeces and urine. Benzoic acid was metabolized into hippuric acid which reduced urinary pH by 0.8 pH units (P ... apparent digestibility was not (P = 0.58) affected by BA, but on the 1% Met diets, S excretion into urine was reduced (P = 0.006) by BA. In conclusion, both BA and Met supplementation increased P and Ca apparent digestibility and decreased urinary pH. The increased acid load provided through dietary BA did...

  7. Mechanistic and Kinetic Insight into Spontaneous Cocrystallization of Isoniazid and Benzoic Acid.

    Sarceviča, Inese; Orola, Liana; Nartowski, Karol P; Khimyak, Yaroslav Z; Round, Andrew N; Fábián, László


    Solid-state cocrystallization is of contemporary interest because it offers an easy and efficient way to produce cocrystals, which are recognized as prospective pharmaceutical materials. Research explaining solid-state cocrystallization mechanisms is important but still too scarce to give a broad understanding of factors governing and limiting these reactions. Here we report an investigation of the mechanism and kinetics of isoniazid cocrystallization with benzoic acid. This reaction is spontaneous; however, its rate is greatly influenced by environmental conditions (humidity and temperature) and pretreatment (milling) of the sample. The acceleration of cocrystallization in the presence of moisture is demonstrated by kinetic studies at elevated humidity. The rate dependence on humidity stems from moisture facilitated rearrangements on the surface of isoniazid crystallites, which lead to cocrystallization in the presence of benzoic acid vapor. Furthermore, premilling the mixture of the cocrystal ingredients eliminated the induction time of the reaction and considerably increased its rate.

  8. Screening of organic halogens and identification of chlorinated benzoic acids in carbonaceous meteorites.

    Schöler, Heinz F; Nkusi, Gerard; Niedan, Volker W; Müller, German; Spitthoff, Bianca


    The occurrence of halogenated organic compounds measured as a sum parameter and the evidence of chlorinated benzoic acids in four carbonaceous meteorites (Cold Bokkeveld, Murray, Murchison and Orgueil) from four independent fall events is reported. After AOX (Adsorbable organic halogen) and EOX (Extractable organic halogen) screening to quantify organically bound halogens, chlorinated organic compounds were analyzed by gas chromatography. AOX concentrations varying from 124 to 209 microg Cl/g d.w. were observed in carbonaceous meteorites. Ion chromatographic analysis of the distribution of organically bound halogens performed on the Cold Bokkeveld meteorite revealed that chlorinated and brominated organic compounds were extractable, up to 70%, whereas only trace amounts of organofluorines could be extracted. Chlorinated benzoic acids have been identified in carbonaceous meteorite extracts. Their presence and concentrations raise the question concerning the origin of halogenated, especially chlorinated, organic compounds in primitive planetary matter.

  9. Benzoic Acid Production with Respect to Starter Culture and Incubation Temperature during Yogurt Fermentation using Response Surface Methodology

    Yoo, Mi-Young; Lim, Sang-Dong


    Benzoic acid is occasionally used as a raw material supplement in food products and is sometimes generated during the fermentation process. In this study, the production of naturally occurring yogurt preservatives was investigated for various starter cultures and incubation temperatures, and considered food regulations. Streptococcus thermophilus, Lactobacillus acidophilus, Lactobacillus delbrueckii subsp. bulgaricus, Lactobacillus rhamnosus, Lactobacillus casei, Lactobacillus paracasei, Lactobacillus reuteri, Lactobacillus plantarum, Bifidobacterium longum, Bifidobacterium lactis, Bifidobacterium bifidum, Bifidobacterium infantis, and Bifidobacterium breve were used as yogurt starter cultures in commercial starters. Among these strains, L. rhamnosus and L. paracasei showed the highest production of benzoic acid. Therefore, the use of L. rhamnosus, L. paracasei, S. thermophilus, and different incubation temperatures were examined to optimize benzoic acid production. Response surface methodology (RSM) based on a central composite design was performed for various incubation temperatures (35-44℃) and starter culture inoculum ratios (0-0.04%) in a commercial range of dairy fermentation processes. The optimum conditions were 0.04% L. rhamnosus, 0.01% L. paracasei, 0.02% S. thermophilus, and 38.12℃, and the predicted and estimated concentrations of benzoic acid were 13.31 and 13.94 mg/kg, respectively. These conditions maximized naturally occurring benzoic acid production during the yogurt fermentation process, and the observed production levels satisfied regulatory guidelines for benzoic acid in dairy products. PMID:27433115

  10. Benzoic Acid Production with Respect to Starter Culture and Incubation Temperature during Yogurt Fermentation using Response Surface Methodology.

    Yu, Hyung-Seok; Lee, Na-Kyoung; Jeon, Hye-Lin; Eom, Su Jin; Yoo, Mi-Young; Lim, Sang-Dong; Paik, Hyun-Dong


    Benzoic acid is occasionally used as a raw material supplement in food products and is sometimes generated during the fermentation process. In this study, the production of naturally occurring yogurt preservatives was investigated for various starter cultures and incubation temperatures, and considered food regulations. Streptococcus thermophilus, Lactobacillus acidophilus, Lactobacillus delbrueckii subsp. bulgaricus, Lactobacillus rhamnosus, Lactobacillus casei, Lactobacillus paracasei, Lactobacillus reuteri, Lactobacillus plantarum, Bifidobacterium longum, Bifidobacterium lactis, Bifidobacterium bifidum, Bifidobacterium infantis, and Bifidobacterium breve were used as yogurt starter cultures in commercial starters. Among these strains, L. rhamnosus and L. paracasei showed the highest production of benzoic acid. Therefore, the use of L. rhamnosus, L. paracasei, S. thermophilus, and different incubation temperatures were examined to optimize benzoic acid production. Response surface methodology (RSM) based on a central composite design was performed for various incubation temperatures (35-44℃) and starter culture inoculum ratios (0-0.04%) in a commercial range of dairy fermentation processes. The optimum conditions were 0.04% L. rhamnosus, 0.01% L. paracasei, 0.02% S. thermophilus, and 38.12℃, and the predicted and estimated concentrations of benzoic acid were 13.31 and 13.94 mg/kg, respectively. These conditions maximized naturally occurring benzoic acid production during the yogurt fermentation process, and the observed production levels satisfied regulatory guidelines for benzoic acid in dairy products.

  11. Molecular modeling study of para amino benzoic acids recognition by β-cyclodextrin

    Madi Fatiha


    Full Text Available AM1 and PM3 methods were applied to investigate equilibrium geometries of inclusion complexes formed between 3-CD and neutral, anionic and cationic species of PABA (Para amino benzoic acid. 3-CD can bind to these three species (two possible orientations A or B with negative binding energy, where the preference between A and Borientation of each PABA species is due to H-bond interaction. Finally, the HOMO and LUMO energies of each complex were calculated and compared.

  12. Antibiofilm Properties of Acetic Acid

    Bjarnsholt, Thomas; Alhede, Morten; Jensen, Peter Østrup;


    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....

  13. Immobilization of Tyrosinase from Avocado Crude Extract in Polypyrrole Films for Inhibitive Detection of Benzoic Acid

    André Brisolari


    Full Text Available Inhibition-based biosensors were developed by immobilizing tyrosinase (Tyr, polyphenol oxidase from the crude extract of avocado fruit on electrochemically prepared polypyrrole (PPy films. The biosensors were prepared during the electropolymerization of pyrrole in a solution containing a fixed volume of the crude extract of avocado. The dependence of the biosensor responses on the volume used from the crude extract, values of pH and temperature was studied, and a substrate, catechol, at different concentrations, was amperometrically detected by these biosensors. Benzoic acid, a competitive inhibitor of Try, was added to the catechol solutions at specific concentrations aimed at obtaining the inhibition constant, K’m, which ranged from 1.7 to 4.6 mmol∙L−1 for 0.0 and 60 µmol∙L−1 of benzoic acid, respectively. Studies on the inhibition caused by benzoic acid by using PPy/Try films, and catechol as a substrate, allowed us propose how to develop, under optimized conditions, simple and low-cost biosensors based on the use of avocado fruit.

  14. Detection of Benzoic Acid by an Amperometric Inhibitor Biosensor Based on Mushroom Tissue Homogenate

    Mustafa Kemal Sezgintürk


    Full Text Available An amperometric benzoic acid-sensing inhibitor biosensor was prepared by immobilizing mushroom (Agaricus bisporus tissue homogenate on a Clark-type oxygen electrode. The effects of the quantity of mushroom tissue homogenate, the quantity of gelatin and the effect of the crosslinking agent glutaraldehyde percent on the biosensor were studied. The optimum concentration of phenol used as substrate was 200 μM. The bioanalytical properties of the proposed biosensor, such as dependence of the biosensor response on the pH value and the temperature, were investigated. The biosensor responded linearly to benzoic acid in a concentration range of 25–100 μM. Standard deviation (s.d. was ±0.49 μM for 7 successive determinations at a concentration of 75 μM. The inhibitor biosensor based on mushroom tissue homogenate was applied for the determination of benzoic acid in fizzy lemonade, some fruits and groundwater samples. Results were compared to those obtained using AOAC method, showing a good agreement.

  15. Acetate metabolism in Methanothrix soehngenii.

    Jetten, M.S.M.


    Acetate is quantitatively the most important intermediate in the anaerobic degradation of soluble organic matter. The conversion rate of acetate by methanogenic bacteria is proposed to be the rate limiting step in this degradation The study of acetoclastic methanogens, therefore is of relevance to o

  16. Detoxification of biomass derived acetate via metabolic conversion to ethanol, acetone, isopropanol, or ethyl acetate

    Sillers, William Ryan; Van Dijken, Hans; Licht, Steve; Shaw, IV, Arthur J.; Gilbert, Alan Benjamin; Argyros, Aaron; Froehlich, Allan C.; McBride, John E.; Xu, Haowen; Hogsett, David A.; Rajgarhia, Vineet B.


    One aspect of the invention relates to a genetically modified thermophilic or mesophilic microorganism, wherein a first native gene is partially, substantially, or completely deleted, silenced, inactivated, or down-regulated, which first native gene encodes a first native enzyme involved in the metabolic production of an organic acid or a salt thereof, thereby increasing the native ability of said thermophilic or mesophilic microorganism to produce lactate or acetate as a fermentation product. In certain embodiments, the aforementioned microorganism further comprises a first non-native gene, which first non-native gene encodes a first non-native enzyme involved in the metabolic production of lactate or acetate. Another aspect of the invention relates to a process for converting lignocellulosic biomass to lactate or acetate, comprising contacting lignocellulosic biomass with a genetically modified thermophilic or mesophilic microorganism.

  17. Overview on mechanisms of acetic acid resistance in acetic acid bacteria.

    Wang, Bin; Shao, Yanchun; Chen, Fusheng


    Acetic acid bacteria (AAB) are a group of gram-negative or gram-variable bacteria which possess an obligate aerobic property with oxygen as the terminal electron acceptor, meanwhile transform ethanol and sugar to corresponding aldehydes, ketones and organic acids. Since the first genus Acetobacter of AAB was established in 1898, 16 AAB genera have been recorded so far. As the main producer of a world-wide condiment, vinegar, AAB have evolved an elegant adaptive system that enables them to survive and produce a high concentration of acetic acid. Some researches and reviews focused on mechanisms of acid resistance in enteric bacteria and made the mechanisms thoroughly understood, while a few investigations did in AAB. As the related technologies with proteome, transcriptome and genome were rapidly developed and applied to AAB research, some plausible mechanisms conferring acetic acid resistance in some AAB strains have been published. In this review, the related mechanisms of AAB against acetic acid with acetic acid assimilation, transportation systems, cell morphology and membrane compositions, adaptation response, and fermentation conditions will be described. Finally, a framework for future research for anti-acid AAB will be provided.

  18. Iron Oxide Surface Chemistry: The Effect of Chemical Structure on Binding in Benzoic Acid and Catechol Derivatives.

    Korpany, Katalin V; Majewski, Dorothy D; Chiu, Cindy T; Cross, Shoronia N; Blum, Amy Szuchmacher


    Excellent performance of functionalized iron oxide nanoparticles in nanomaterial and biomedical applications often relies on achieving attachment of ligands to the iron oxide surface both in sufficient number and with proper orientation. Towards this end, we determine relationships between ligand chemical structure and surface binding on magnetic iron oxide nanoparticles for a series of related benzoic acid and catechol derivatives. Ligand exchange was used to introduce the model ligands, and the resulting nanoparticles were characterized by FTIR-ATR, transmission electron microscopy (TEM), and nanoparticle solubility behavior. An in-depth analysis of ligand electronic effects and reaction conditions reveals that the nature of ligand binding does not solely depend on the presence of functional groups known to bind to iron oxide nanoparticles. The structure of the resulting ligand-surface complex was primarily influenced by the relative positioning of hydroxyl and carboxylic acid groups within the ligand as well as whether or not HCl(aq) was added to the ligand exchange reaction. Overall, this study will help guide future ligand design and ligand exchange strategies towards realizing truly custom-built iron oxide nanoparticles.

  19. Fragrance material review on 2-phenylpropyl acetate.

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


    A toxicologic and dermatologic review of 2-phenylpropyl acetate when used as a fragrance ingredient is presented. 2-Phenylpropyl 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-phenylpropyl acetate were evaluated, then summarized, and includes: physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, and skin sensitization data. A safety assessment of the entire AAASAE will be published simultaneously with this document. Please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all AAASAE in fragrances. Copyright © 2012 Elsevier Ltd. All rights reserved.

  20. Fragrance material review on piperonyl acetate.

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


    A toxicologic and dermatologic review of piperonyl acetate when used as a fragrance ingredient is presented. Piperonyl 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 piperonyl acetate were evaluated, then summarized, and includes: physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, skin sensitization, toxicokinetics, and genotoxicity data. A safety assessment of the entire AAASAE will be published simultaneously with this document. Please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all AAASAE in fragrances. Copyright © 2012 Elsevier Ltd. All rights reserved.

  1. Fragrance material review on 3-phenylpropyl acetate.

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


    A toxicologic and dermatologic review of 3-phenylpropyl acetate when used as a fragrance ingredient is presented. 3-Phenylpropyl 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 3-phenylpropyl acetate were evaluated, then summarized, and includes: physical properties, acute toxicity, skin irritation, skin sensitization, and toxicokinetics data. A safety assessment of the entire AAASAE will be published simultaneously with this document. Please refer to Belsito et al., 2012 for an overall assessment of the safe use of this material and all AAASAE in fragrances. Copyright © 2012 Elsevier Ltd. All rights reserved.

  2. Fragrance material review on 4-methylbenzyl acetate.

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


    A toxicologic and dermatologic review of 4-methylbenzyl acetate when used as a fragrance ingredient is presented. 4-Methylbenzyl 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 4-methylbenzyl acetate were evaluated, then summarized, and includes: physical properties, skin irritation, skin sensitization, and elicitation data. A safety assessment of the entire AAASAE will be published simultaneously with this document. Please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all AAASAE in fragrances. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. Complexation of uranium(VI) with aromatic acids in aqueous solution. A comparison of hydroxamic acids and benzoic acid

    Glorius, M.; Moll, H.; Bernhard, G. [Forschungszentrum Dresden-Rossendorf e.V., Dresden (Germany). Inst. fuer Radiochemie


    The complex formation of uranium(VI) with salicylhydroxamic,benzohydroxamic, and benzoic acid in 0.1 M NaClO{sub 4} was studied by UV-vis spectroscopy at pH 3 and 4. Uranium(VI) species of the type M{sub p}L{sub q}H{sub r} were identified from the UV-vis spectra in all three systems. An increase in the absorption combined with a blue shift of the absorption maxima in comparison to the bands of the free uranyl ion of 22.5 {+-} 2 nm was observed in the uranium (VI)-salicylhydroxamic acid-system. Besides indications for a 1:2 complex, the formation of a 1:1 complex with a stability constant of log {beta}{sub 111} = 17.12 {+-} 0.10 could be demonstrated by its individual absorption spectrum and molar absorption coefficient. Also in the uranium(VI)-benzohydroxamic acid-system a blue shift of the absorption maxima in comparison to the bands of the free uranyl ion of 27 {+-} 1.4 nm indicate the complex formation. The stability constants are log {beta}{sub 110} = 7.96 {+-} 0.05 for UO{sub 2}[C{sub 6}H{sub 4}CONHO]{sup +} and log {beta}{sub 120} = 15.25 {+-} 0.11 for UO{sub 2}[C{sub 6}H{sub 4}CONHO]{sub 2}. In contrast to the hydroxamic acids, benzoic acid shows a red shift of the absorption maxima of 2.5 {+-} 2 nm. Only the 1:1 complex UO{sub 2}[C{sub 6}H{sub 4}COO]{sup +} with a stability constant of log {beta}{sub 110} = 3.37 {+-} 0.14 is existent. An estimate is made in order to discuss the dependencies observed in the absorption spectra in relation to possible coordination modes of uranium(VI). The strength of the complex formation between uranyl and the three aromatic acids is discussed. (orig.)

  4. Ordered cleavage of myeloperoxidase ester bonds releases active site heme leading to inactivation of myeloperoxidase by benzoic acid hydrazide analogs.

    Huang, Jiansheng; Smith, Forrest; Panizzi, Peter


    Myeloperoxidase (MPO) catalyzes the breakdown of hydrogen peroxide and the formation of the potent oxidant hypochlorous acid. We present the application of the fluorogenic peroxidase substrate 10-acetyl-3,7-dihydroxyphenoxazine (ADHP) in steady-state and transient kinetic studies of MPO function. Using initial kinetic parameters for the MPO system, we characterized under the same conditions a number of gold standards for MPO inhibition, namely 4-amino benzoic acid hydrazide (4-ABAH), isoniazid and NaN3 before expanding our focus to isomers of 4-ABAH and benzoic acid hydrazide analogs. We determined that in the presence of hydrogen peroxide that 4-ABAH and its isomer 2-ABAH are both slow-tight binding inhibitors of MPO requiring at least two steps, whereas NaN3 and isoniazid-based inhibition has a single observable step. We also determined that MPO inhibition by benzoic acid hydrazide and 4-(trifluoromethyl) benzoic acid hydrazide was due to hydrolysis of the ester bond between MPO heavy chain Glu 242 residue and the heme pyrrole A ring, freeing the light chain and heme b fragment from the larger remaining MPO heavy chain. This new mechanism would essentially indicate that the benzoic acid hydrazide analogs impart inhibition through initial ejection of the heme catalytic moiety without prior loss of the active site iron.

  5. Dietary exposure of secondary school students in Hong Kong to benzoic acid in prepackaged non-alcoholic beverages.

    Ma, Ka Ming; Chan, Cheok Man; Chung, Stephen Wai Cheung; Ho, Yuk Yin; Xiao, Ying


    This study evaluated the dietary exposure of secondary school students in Hong Kong to benzoic acid from pre-packaged non-alcoholic beverages. Exposure was estimated using local food consumption data of secondary school students obtained by a semi-quantitative food frequency questionnaire in 2000 and the benzoic acid level detected in pre-packaged beverages, including soft drink (both diet/light and regular types), fruit juice, soy milk, Chinese tea and coffee/tea) available locally in late 2006. The estimated dietary exposure to benzoic acid from pre-packaged beverages of average and high consumers (95(th) percentile) was 0.31 and 0.97 mg kg(-1) bw day(-1), respectively. These exposures accounted for 6.1 and 19.3% of the acceptable daily intake (ADI: 0-5 mg kg(-1) bw) of benzoic acid for average and high consumers, respectively. As in other countries, soft drinks contributed most to dietary exposure to benzoic acid from pre-packaged beverages in Hong Kong.

  6. A continuous acetic acid system for polyacrylamide gel electrophoresis of gliadins and other prolamines.

    Clements, R L


    A polyacrylamide gel electrophoresis system buffered by acetic acid alone was developed for electrophoresis of prolamines. When applied to gliadin electrophoresis, the acetic acid system produces more bands than does a conventional aluminum lactate-lactic acid system (using 12% acrylamide gels). The acetic acid system is relatively simple, requiring a single buffer component that is universally available in high purity.

  7. Exposure assessment of food preservatives (sulphites, benzoic and sorbic acid) in Austria.

    Mischek, Daniela; Krapfenbauer-Cermak, Christine


    An exposure assessment was performed to estimate the potential intake of preservatives in the Austrian population. Food consumption data of different population groups, such as preschool children aged 3-6 years, female and male adults aged 19-65 years were used for calculation. Levels of the preservatives in food were derived from analyses conducted from January 2007 to August 2010. Dietary intakes of the preservatives were estimated and compared to the respective acceptable daily intakes (ADIs). In the average-intake scenario, assuming that consumers randomly consume food products that do or do not contain food additives, estimated dietary intakes of all studied preservatives are well below the ADI for all population groups. Sulphite exposure accounted for 34%, 84% and 89% of the ADI in preschool children, females and males, respectively. The mean estimated daily intake of benzoic acid was 32% (preschool children), 31% (males) and 36% (females) of the ADI. Sorbic acid intakes correspond to 7% of the ADI in preschool children and 6% of the ADI in adults. In the high-intake scenario assuming that consumers always consume food products that contain additives and considering a kind of brand loyalty of consumers, the ADI is exceeded for sulphites among adults (119 and 124%, respectively). Major contributors to the total intake of sulphites were wine and dried fruits for adults. Mean estimated dietary intakes of benzoic acid exceeded the ADI in all population groups, 135% in preschool children, 124% in females and 118% of the ADI in males, respectively. Dietary intakes of sorbic acid are well below the ADI, accounting for a maximum of 30% of the ADI in preschool children. The highest contributors to benzoic and sorbic acid exposure were fish and fish products mainly caused by high consumption data of this large food group, including also mayonnaise-containing fish salads. Other important sources of sorbic acid were bread, buns and toast bread and fruit and vegetable

  8. A benzoic acid derivative and flavokawains from Piper species as schistosomiasis vector controls.

    Rapado, Ludmila N; Freitas, Giovana C; Polpo, Adriano; Rojas-Cardozo, Maritza; Rincón, Javier V; Scotti, Marcus T; Kato, Massuo J; Nakano, Eliana; Yamaguchi, Lydia F


    The search of alternative compounds to control tropical diseases such as schistosomiasis has pointed to secondary metabolites derived from natural sources. Piper species are candidates in strategies to control the transmission of schistosomiasis due to their production of molluscicidal compounds. A new benzoic acid derivative and three flavokawains from Piper diospyrifolium, P. cumanense and P. gaudichaudianum displayed significant activities against Biomphalaria glabrata snails. Additionally, "in silico" studies were performed using docking assays and Molecular Interaction Fields to evaluate the physical-chemical differences among the compounds in order to characterize the observed activities of the test compounds against Biomphalaria glabrata snails.

  9. Alkaline earth layered benzoates as reusable heterogeneous catalysts for the methyl esterification of benzoic acid

    Swamy Arêa Maruyama


    Full Text Available This paper describes the synthesis and characterization of layered barium, calcium and strontium benzoates and evaluates the potential of these materials as catalysts in the synthesis of methyl benzoate. The methyl esterification of benzoic acid was investigated, where the effects of temperature, alcohol:acid molar ratio and amount of catalyst were evaluated. Ester conversions of 65 to 70% were achieved for all the catalysts under the best reaction conditions. The possibility of recycling these metallic benzoates was also demonstrated, evidenced by unaltered catalytic activity for three consecutive reaction cycles.

  10. Antibiofilm Properties of Acetic Acid

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


    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

  11. Acetate/acetyl-CoA metabolism associated with cancer fatty acid synthesis: overview and application.

    Yoshii, Yukie; Furukawa, Takako; Saga, Tsuneo; Fujibayashi, Yasuhisa


    Understanding cancer-specific metabolism is important for identifying novel targets for cancer diagnosis and therapy. Induced acetate/acetyl CoA metabolism is a notable feature that is related to fatty acid synthesis supporting tumor growth. In this review, we focused on the recent findings related to cancer acetate/acetyl CoA metabolism. We also introduce [1-¹¹C]acetate positron emission tomography (PET), which is a useful tool to visualize up-regulation of acetate/acetyl CoA metabolism in cancer, and discuss the utility of [1-¹¹C]acetate PET in cancer diagnosis and its application to personalized medicine.

  12. Using a Simulated Industrial Setting for the Development of an Improved Solvent System for the Recrystallization of Benzoic Acid: A Student-Centered Project

    Hightower, Timothy R.; Heeren, Jay D.


    Recrystallization of benzoic acid is an excellent way to remove insoluble impurities. In a traditional organic laboratory experiment, insoluble impurities are removed through the recrystallization of benzoic acid utilizing water as the recrystallization solvent. It was our goal to develop a peer-led, problem-solving organic laboratory exercise…

  13. Effects of benzoic acid on nitrogen, phosphorus and energy balance and on ammonia emission from slurries in the heavy pig

    G. Matteo Crovetto


    Full Text Available The effects of two dietary levels of benzoic acid on nitrogen, phosphorus and energy balance were evaluated in the typical Italian heavy pig during the last phase of growth. Six Landrace x Large White barrows of 125 kg body weight (BW on average were used in a repeated 3x3 Latin Square design and housed in metabolic cages to collect faeces and urine separately, in 3 collection periods of 7 days, after 14 days of adaptation. The animals were individually housed in open circuit respiration chambers to determine the energy metabolism. The dietary treatments were as follows [% on dry matter (DM]: i diet C (control: 14.2 crude protein (CP, 3.7 EE, 13.8 NDF; ii diet B05: diet C plus 0.5% benzoic acid; iii diet B10: diet C plus 1.0% benzoic acid. DM fed was fixed at 6.8% BW0.75. Apparent digestibility was similar among treatments for all the parameters studied. Nitrogen (N retention was 35.8, 37.4, 41.6% of intake N for C, B05 and B10, respectively, with no significant difference. Energy and phosphorus balances were not influenced by dietary treatments. Ammonia nitrogen emission from the slurry, expressed as a proportion of the initial slurry nitrogen, was decreased (P=0.049 by the inclusion of benzoic acid in the diet: 35.2, 28.1, 26.2% for C, B05, B10, respectively. The addition of benzoic acid to the diet determined a numerically decrease of the urinary pH. In conclusion, the inclusion of benzoic acid in the diet of the heavy pig is beneficial to the environment without effects on N, phosphorus (P and energy balances.

  14. Emissions of sulfur-containing odorants, ammonia, and methane from pig slurry: effects of dietary methionine and benzoic acid.

    Eriksen, Jørgen; Adamsen, Anders Peter S; Nørgaard, Jan V; Poulsen, Hanne D; Jensen, Bent Borg; Petersen, Søren O


    Supplementation of benzoic acid to pig diets reduces the pH of urine and may thereby affect emissions of ammonia and other gases from slurry, including sulfur-containing compounds that are expected to play a role in odor emission. Over a period of 112 d, we investigated hydrogen sulfide (H(2)S), methanethiol (MT), dimethyl sulfide (DMS), dimethyl disulfide (DMDS), and dimethyl trisulfide (DMTS), as well as ammonia and methane emissions from stored pig slurry. The slurry was derived from a feeding experiment with four pig diets in a factorial design with 2% (w/w) benzoic acid and 1% (w/w) methionine supplementation as treatments. Benzoic acid reduced slurry pH by 1 to 1.5 units and ammonia emissions by 60 to 70% for up to 2 mo of storage, and a considerable, but transitory reduction of methane emissions was also observed after 4 to 5 wk. All five volatile sulfur (S) compounds were identified in gas emitted from the slurry of the control treatment, which came from pigs fed according to Danish recommendations for amino acids and minerals. The emission patterns of volatile S compounds suggested an intense cycling between pools of organic S in the slurries, with urinary sulfate as the main source. Diet supplementation with methionine significantly increased all S emissions. Diet supplementation with benzoic acid reduced emissions of H(2)S and DMTS compared with the control slurry and moderately increased the concentrations of MT. Sulfur gas emissions were influenced by a strong interaction between methionine and benzoic acid treatments, which caused a significant increase in emissions of especially MT, but also of DMDS. In conclusion, addition of 2% benzoic acid to pig diets effectively reduced ammonia volatilization, but interactions with dietary S may increase odor problems.

  15. The benzoic acid-water complex: a potential atmospheric nucleation precursor studied using microwave spectroscopy and ab initio calculations.

    Schnitzler, Elijah G; Jäger, Wolfgang


    The pure rotational, high-resolution spectrum of the benzoic acid-water complex was measured in the range of 4-14 GHz, using a cavity-based molecular beam Fourier-transform microwave spectrometer. In all, 40 a-type transitions and 2 b-type transitions were measured for benzoic acid-water, and 12 a-type transitions were measured for benzoic acid-D2O. The equilibrium geometry of benzoic acid-water was determined with ab initio calculations, at the B3LYP, M06-2X, and MP2 levels of theory, with the 6-311++G(2df,2pd) basis set. The experimental rotational spectrum is most consistent with the B3LYP-predicted geometry. Narrow splittings were observed in the b-type transitions, and possible tunnelling motions were investigated using the B3LYP/6-311++G(d,p) level of theory. Rotation of the water moiety about the lone electron pair hydrogen-bonded to benzoic acid, across a barrier of 7.0 kJ mol(-1), is the most likely cause for the splitting. Wagging of the unbound hydrogen atom of water is barrier-less, and this large amplitude motion results in the absence of c-type transitions. The interaction and spectroscopic dissociation energies calculated using B3LYP and MP2 are in good agreement, but those calculated using M06-2X indicate excess stabilization, possibly due to dispersive interactions being over-estimated. The equilibrium constant of hydration was calculated by statistical thermodynamics, using ab initio results and the experimental rotational constants. This allowed us to estimate the changes in percentage of hydrated benzoic acid with variations in the altitude, region, and season. Using monitoring data from Calgary, Alberta, and the MP2-predicted dissociation energy, a yearly average of 1% of benzoic acid is expected to be present in the form of benzoic acid-water. However, this percentage depends sensitively on the dissociation energy. For example, when using the M06-2X-predicted dissociation energy, we find it increases to 18%.

  16. One-pot odourless synthesis of thioesters via in situ generation of thiobenzoic acids using benzoic anhydrides and thiourea

    Mohammad Abbasi


    Full Text Available An efficient and odourless procedure for a one-pot synthesis of thioesters by the reaction of benzoic anhydrides, thiourea and various organic halides (primary, allylic, and benzylic or structurally diverse, electron-deficient alkenes (ketones, esters, and nitriles in the presence of Et3N has been developed. In this method, thiobenzoic acids were in situ generated from the reaction of thiourea with benzoic anhydrides, which were subjected to conjugate addition with electron-deficient alkenes or a nucleophilic displacement reaction with alkyl halides.

  17. Zinc Acetate Immobilized on Mesoporous Materials by Acetate Ionic Liquids as Catalysts for Vinyl Acetate Synthesis

    Hang Xu


    Full Text Available Ionic liquid containing active ingredient Zn(CH3COO2 was loaded in mesoporous silica gel to form supported ionic liquids catalyst (SILC which was used to synthesize vinyl acetate monomer (VAM. SILC was characterized by 1HNMR, FT-IR, TGA, BET, and N2 adsorption/desorption and the acetylene method was used to evaluate SILC catalytic activity and stability in fixed reactor. The result shows that 1-allyl-3-acetic ether imidazole acetate ionic liquid is successfully fixed within mesoporous channel of silica gel. The average thickness of ionic liquid catalyst layer is about 1.05 nm. When the catalytic temperature is 195°C, the acetic acid (HAc conversion is 10.9% with 1.1 g vinyl acetate yield and 98% vinyl acetate (VAc selectivity. The HAc conversion is increased by rise of catalytic temperature and molar ratio of C2H2 : HAc and decreased by mass space velocity (WHSV. The catalyst activity is not significantly reduced within 7 days and VAc selectivity has a slight decrease.

  18. Microorganisms having enhanced resistance to acetate and methods of use

    Brown, Steven D; Yang, Shihui


    The present invention provides isolated or genetically modified strains of microorganisms that display enhanced resistance to acetate as a result of increased expression of a sodium proton antiporter. The present invention also provides methods for producing such microbial strains, as well as related promoter sequences and expression vectors. Further, the present invention provides methods of producing alcohol from biomass materials by using microorganisms with enhanced resistance to acetate.

  19. Acetate Dose-Dependently Stimulates Milk Fat Synthesis in Lactating Dairy Cows.

    Urrutia, Natalie L; Harvatine, Kevin J


    Background: Acetate is a short-chain fatty acid (FA) that is especially important to cows because it is the major substrate for de novo FA synthesis. However, the effect of acetate supply on mammary lipid synthesis is not clear.Objective: The objective of this experiment was to determine the effect of increasing acetate supply on milk fat synthesis in lactating dairy cows.Methods: Six multiparous lactating Holstein cows were randomly assigned to treatments in a replicated design to investigate the effect of acetate supply on milk fat synthesis. Treatments were 0 (control), 5, 10, and 15 mol acetate/d continuously infused into the rumen for 4 d. Rumen short-chain FAs, plasma hormones and metabolites, milk fat concentration, and milk FA profile were analyzed on day 4 of each treatment. Polynomial contrasts were used to test the linear and quadratic effects of increasing acetate supply.Results: Acetate increased milk fat yield quadratically (P synthesis pathways. Apparent transfer of acetate to milk fat was 33.4%, 36.2%, and 20.6% for 5, 10, and 15 mol/d, respectively. Acetate infusion linearly increased the relative concentration of rumen acetate (P synthesis, suggesting that nutritional strategies that increase ruminal acetate absorption would be expected to increase milk fat by increasing de novo FA synthesis. © 2017 American Society for Nutrition.

  20. Overexpression of acetyl-CoA synthetase in Saccharomyces cerevisiae increases acetic acid tolerance.

    Ding, Jun; Holzwarth, Garrett; Penner, Michael H; Patton-Vogt, Jana; Bakalinsky, Alan T


    Acetic acid-mediated inhibition of the fermentation of lignocellulose-derived sugars impedes development of plant biomass as a source of renewable ethanol. In order to overcome this inhibition, the capacity of Saccharomyces cerevisiae to synthesize acetyl-CoA from acetic acid was increased by overexpressing ACS2 encoding acetyl-coenzyme A synthetase. Overexpression of ACS2 resulted in higher resistance to acetic acid as measured by an increased growth rate and shorter lag phase relative to a wild-type control strain, suggesting that Acs2-mediated consumption of acetic acid during fermentation contributes to acetic acid detoxification.

  1. Analysis of proteins responsive to acetic acid in Acetobacter: molecular mechanisms conferring acetic acid resistance in acetic acid bacteria.

    Nakano, Shigeru; Fukaya, Masahiro


    Acetic acid bacteria are used for industrial vinegar production because of their remarkable ability to oxidize ethanol and high resistance to acetic acid. Although several molecular machineries responsible for acetic acid resistance in acetic acid bacteria have been reported, the entire mechanism that confers acetic acid resistance has not been completely understood. One of the promising methods to elucidate the entire mechanism is global analysis of proteins responsive to acetic acid by two-dimensional gel electrophoresis. Recently, two proteins whose production was greatly enhanced by acetic acid in Acetobacter aceti were identified to be aconitase and a putative ABC-transporter, respectively; furthermore, overexpression or disruption of the genes encoding these proteins affected acetic acid resistance in A. aceti, indicating that these proteins are involved in acetic acid resistance. Overexpression of each gene increased acetic acid resistance in Acetobacter, which resulted in an improvement in the productivity of acetic acid fermentation. Taken together, the results of the proteomic analysis and those of previous studies indicate that acetic acid resistance in acetic acid bacteria is conferred by several mechanisms. These findings also provide a clue to breed a strain having high resistance to acetic acid for vinegar fermentation.

  2. 40 CFR 721.1725 - Benzoic acid, 3,3′-methyl-enebis [6 amino-, di-2-propenyl ester.


    ... amino-, di-2-propenyl ester. 721.1725 Section 721.1725 Protection of Environment ENVIRONMENTAL...-, di-2-propenyl ester. (a) Chemical substance and significant new uses subject to reporting. (1) The..., Benzoic acid, 3,3′-methylenebis [6 amino-, di-2-propenyl ester. (2) The significant new uses are: (i)...

  3. Influence of Bleaching on Flavor of 34% Whey Protein Concentrate and Residual Benzoic Acid Concentration in Dried Whey Proteins

    Previous studies have shown that bleaching negatively affects the flavor of 70% whey protein concentrate (WPC70), but bleaching effects on lower-protein products have not been established. Benzoyl peroxide (BP), a whey bleaching agent, degrades to benzoic acid (BA) and may elevate BA concentrations...

  4. Influence of bleaching on flavor of 34% whey protein concentrate and residual benzoic acid concentration in dried whey products

    Previous studies have shown that bleaching negatively affects the flavor of 70% whey protein concentrate (WPC70), but bleaching effects on lower-protein products have not been established. Benzoyl peroxide (BP), a whey bleaching agent, degrades to benzoic acid (BA) and may elevate BA concentrations...

  5. Dietary exposure estimates for the food preservatives benzoic acid and sorbic acid in the total diet in Taiwan.

    Ling, Min-Pei; Lien, Keng-Wen; Wu, Chiu-Hua; Ni, Shih-Pei; Huang, Hui-Ying; Hsieh, Dennis P H


    The purpose was to assess the health risk to general consumers in Taiwan associated with dietary intake of benzoic acid and sorbic acid by conducting a total diet study (TDS). The hazard index (HI) in percent acceptable daily intake (%ADI) of benzoic acid and sorbic acid for eight exposure groups classified by age were calculated. In high-intake consumers, the highest HI of benzoic acid was 54.1%ADI for males aged 1-2 years old at the 95th percentile, whereas for females, the HI was 61.7%ADI for aged over 66 years old. The highest HI of sorbic acid for male and female consumers aged 3-6 years old at the 95th percentile were 14.0%ADI and 12.2%ADI, respectively. These results indicate that the use of benzoic acid and sorbic acid as preservatives at the current level of use in the Taiwanese diet does not constitute a public health and safety concern.

  6. 5-(Chloromethylquinolin-8-yl acetate

    Ling-Qian Kong


    Full Text Available The title compound, C12H10ClNO2, crystallizes with two independent molecules in the asymmetric unit; these are approximate mirror images of each other. In each molecule, the chloromethyl and acetate groups lie on the same side of the quinoline ring system, with dihedral angles between the ring plane and the plane of the acetate group of 82.0 (1 and −79.2 (1°. The C—C—C—Cl torsion angles for the chloromethyl groups of the two molecules are 80.9 (2 and −83.1 (2°.

  7. Impact of seizure frequency reduction on health-related quality of life among clinical trial subjects with refractory partial-onset seizures: A pooled analysis of phase III clinical trials of eslicarbazepine acetate.

    Velez, Fulton F; Bond, T Christopher; Anastassopoulos, Kathryn P; Wang, Xuezhe; Sousa, Rui; Blum, David; Cramer, Joyce A


    Subjects who received eslicarbazepine acetate (ESL) as adjunctive therapy experienced significantly greater seizure frequency reduction (SFR) than placebo in three phase III, randomized, double-blind trials. This analysis compared changes in health-related quality of life (HRQOL) between treatment responders and non-responders across the pooled, per-protocol population (N=842) using the validated Quality of Life in Epilepsy Inventory-31 (QOLIE-31). QOLIE-31 scores were calculated for Total Score (TS) and seven subscales; higher scores indicate better HRQOL. Mean changes from baseline were calculated. Analysis of covariance examined least square mean (LSM) differences in final scores between responders (≥50% and ≥75% SFR) and non-responders. Clinical significance was based on established minimal clinically important differences (MCIDs). Mean changes were greater among responders for TS (5.2 versus 1.4 for ≥50% SFR; 7.5 versus 1.9 for ≥75% SFR) and all subscales. Additionally, the percentage of subjects with changes meeting or exceeding MCIDs was higher among responders for TS (48.4% versus 33.9% for ≥50% SFR; 56.9% versus 35.8% for ≥75% SFR) and all subscales. Responders had significantly higher final scores for TS (LSM difference=4.0 for ≥50% SFR; LSM difference=5.7 for ≥75% SFR) and all subscales except emotional well-being at ≥50% SFR. LSM differences exceeded MCIDs at ≥75% SFR for TS and five of seven subscales, and two subscales at ≥50% SFR. In a subgroup analysis with placebo removed, LSM differences were larger overall. In clinical trials of adjunctive ESL, higher levels of SFR were associated with greater improvements in HRQOL. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. Sorbic and benzoic acid in non-preservative-added food products in Turkey.

    Cakir, Ruziye; Cagri-Mehmetoglu, Arzu


    Sorbic acid (SA) and benzoic acid (BA) were determined in yoghurt, tomato and pepper paste, fruit juices, chocolates, soups and chips in Turkey by using high-pressure liquid chromatography (HPLC). Levels were compared with Turkish Food Codex limits. SA was detected only in 2 of 21 yoghurt samples, contrary to BA, which was found in all yoghurt samples but one, ranging from 10.5 to 159.9 mg/kg. Both SA and BA were detected also in 3 and 6 of 23 paste samples in a range of 18.1-526.4 and 21.7-1933.5 mg/kg, respectively. Only 1 of 23 fruit juices contained BA. SA was not detected in any chips, fruit juice, soup, or chocolate sample. Although 16.51% of the samples was not compliant with the Turkish Food Codex limits, estimated daily intake of BA or SA was below the acceptable daily intake.

  9. 3,5-Bis[(pyridin-4-ylmethoxy]benzoic acid

    Hong Lin


    Full Text Available Single crystals of the title compound, C19H16N2O4, were obtained under hydrothermal conditions by an unintended recrystallization of the employed microcrystalline starting material. The [(pyridin-4-ylmethoxy]benzoic acid unit is nearly planar, with a maximum deviation from the least-squares plane of 0.194 (2 Å. This plane is inclined by 35.82 (6° to that defined by the second (pyridin-4-ylmethoxy group [in which the largest deviation from the least-squares plane is 0.013 (2 Å]. In the crystal, molecules are linked by O—H...N hydrogen bonds involving the acid hydroxy group and a pyridine N atom into chains parallel to [-201].

  10. Imidazolium ionic liquid-supported sulfonic acids: Efficient and recyclable catalysts for esterification of benzoic acid

    Yue Qin Cai; Guo Qiang Yu; Chuan Duo Liu; Yuan Yuan Xu; Wei Wang


    Several imidazolium ionic liquid (IL)-supported sulfonic acids with different anions,[C3SO3Hmim]HSO4,[C3SO3Hmim]BF4,[C3SO3Hmim]PF6,and [C3SO3Hmim]CF3SO3,were synthesized and applied as catalysts for esterification reaction of benzoic acid.The experimental results indicate that imidazolium IL-supported sulfonic acid containing anion of HSO4- shows the best catalytic activity.Only when less [C3SO3Hmim]HSO4 (0.3 equiv.) applied,was the product obtained with high yield of 97%.Furthermore,the produced esters could be separated by decantation,and the catalyst could be reused after the removal of water.

  11. Associations of Pseudomonas species and forage grasses enhance degradation of chlorinated benzoic acids in soil

    Siciliano, S. D.


    Using chlorinated benzoic acid (CBA) as a model compound, this study attempted to show that microorganisms and plants can be used as bioremediation agents to clean up contaminated soil sites in a cost effective and environmentally friendly manner. CBA was used because it is present in soils contaminated with polychlorinated biphenyls (PCBs), or chlorinated pesticides. Sixteen forage grasses were screened in combination with 12 bacterial inoculants for their ability to promote the degradation of CBA in soil. Five associations of plants and bacteria were found to degrade CBA to a greater extent than plants without bacterial inoculants. Bacterial inoculants were shown to stimulate CBA degradation by altering the microbial community present on the root surface and thereby increasing the ability of this community to degrade CBA.

  12. Temperature-dependent benzoic acid elimination mechanisms in pyrolysis of (--cocaine

    Michal Novák


    Full Text Available The thermal elimination of benzoic acid from (--cocaine is shown to be temperature-dependent. In the temperature range of 200-500 °C only a trans-elimination is observed leading to methylecgonidine. Above ca. 500 °C a second mechanism, the cis-elimination, comes up yielding a novel alkaloid methylisoecgonidine which has been characterized by means of mass spectrometry. At 600 °C the cis-elimination predominates. The trans-elimination is postulated a two-step process consisting of a 1,7- and a 1,5-hydrogen shift. The chemistry of cocaine base smoking is explained using the theory of chemical activation.

  13. Synthesis and Crystal Structure of a Complex of Melamine with Benzoic Acid

    ZHANG Xiu-lian


    A new complex of melamine(MA) with benzoic acid(HBA) was prepared,affording [(HMA+)(BA-)]·2H2O.Each HBA molecule is deprotonated and one triazine nitrogen atom of MA is protonated,The adjacent HMA+ cations are hydrogen bonded to alternate sides of the (HMA+)∞ ribbons to generate indention 1D tapes,which are extended into the hydrogen bond present in the complex are anion/water and amino/water tape structures,The hydrogen-bonding patterns consist of alternate 6,10-membered rings sharing two edges,Infrared(IR) spectroscopy conforms that proton transfer has taken place in the complex.

  14. Preparation and Physical Properties of Chitosan Benzoic Acid Derivatives Using a Phosphoryl Mixed Anhydride System

    Kyu Yun Chai


    Full Text Available Direct benzoylation of the two hydroxyl groups on chitosan was achieved using a phosphoryl mixed anhydride system, derived from trifluoroacetic anhydride (TFAA, benzoic acids (BAs, and phosphoric acid (PA. The reaction is operated as a one pot process under mild conditions that does not require neither an inert atmosphere nor dry solvents. The structures of the synthesized compounds were confirmed by NMR and IR spectroscopy. Solubility tests on the products revealed that they were soluble in organic solvents such as N,N-dimethylformamide (DMF, dimethylsulfoxide (DMSO, and acetone. In the meantime, a morphological study by scanning electron microscopy (SEM evidently indicated that the chitosan benzoates underwent significant structural changes after the benzoylation.

  15. Carbon-isotopic analysis of dissolved acetate.

    Gelwicks, J T; Hayes, J M


    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. Effect of temperature and concentration on benzoyl peroxide bleaching efficacy and benzoic acid levels in whey protein concentrate.

    Smith, T J; Gerard, P D; Drake, M A


    Much of the fluid whey produced in the United States is a by-product of Cheddar cheese manufacture and must be bleached. Benzoyl peroxide (BP) is currently 1 of only 2 legal chemical bleaching agents for fluid whey in the United States, but benzoic acid is an unavoidable by-product of BP bleaching. Benzoyl peroxide is typically a powder, but new liquid BP dispersions are available. A greater understanding of the bleaching characteristics of BP is necessary. The objective of the study was to compare norbixin destruction, residual benzoic acid, and flavor differences between liquid whey and 80% whey protein concentrates (WPC80) bleached at different temperatures with 2 different benzoyl peroxides (soluble and insoluble). Two experiments were conducted in this study. For experiment 1, 3 factors (temperature, bleach type, bleach concentration) were evaluated for norbixin destruction using a response surface model-central composite design in liquid whey. For experiment 2, norbixin concentration, residual benzoic acid, and flavor differences were explored in WPC80 from whey bleached by the 2 commercially available BP (soluble and insoluble) at 5 mg/kg. In liquid whey, soluble BP bleached more norbixin than insoluble BP, especially at lower concentrations (5 and 10 mg/kg) at both cold (4°C) and hot (50°C) temperatures. The WPC80 from liquid whey bleached with BP at 50°C had lower norbixin concentration, benzoic acid levels, cardboard flavor, and aldehyde levels than WPC80 from liquid whey bleached with BP at 4°C. Regardless of temperature, soluble BP destroyed more norbixin at lower concentrations than insoluble BP. The WPC80 from soluble-BP-bleached wheys had lower cardboard flavor and lower aldehyde levels than WPC80 from insoluble-BP-bleached whey. This study suggests that new, soluble (liquid) BP can be used at lower concentrations than insoluble BP to achieve equivalent bleaching and that less residual benzoic acid remains in WPC80 powder from liquid whey

  17. 21 CFR 522.2476 - Trenbolone acetate.


    ... 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...

  18. 21 CFR 582.1005 - Acetic acid.


    ... 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...

  19. Pallidol hexaacetate ethyl acetate monosolvate

    Qinyong Mao


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

  20. Disruption of the acetate kinase (ack) gene of Clostridium acetobutylicum results in delayed acetate production

    Kuit, W.; Minton, N.P.; Lopez Contreras, A.M.; Eggink, G.


    In microorganisms, the enzyme acetate kinase (AK) catalyses the formation of ATP from ADP by de-phosphorylation of acetyl phosphate into acetic acid. A mutant strain of Clostridium acetobutylicum lacking acetate kinase activity is expected to have reduced acetate and acetone production compared to

  1. Disruption of the acetate kinase (ack) gene of Clostridium acetobutylicum results in delayed acetate production

    Kuit, W.; Minton, N.P.; Lopez Contreras, A.M.; Eggink, G.


    In microorganisms, the enzyme acetate kinase (AK) catalyses the formation of ATP from ADP by de-phosphorylation of acetyl phosphate into acetic acid. A mutant strain of Clostridium acetobutylicum lacking acetate kinase activity is expected to have reduced acetate and acetone production compared to t

  2. Determination of the limit of quantification of the calorimeter using a mixture of benzoic acid and silicon dioxide

    Krstić Vesna R.


    Full Text Available In recent years quality control has received a great attention in laboratory work. Implementation of the international standard ISO/IEC 17025 is necessary for any laboratory that wishes to establish quality control in its work. One of the important factors for meeting the requirements of this standard is the usage of the certified reference materials (CRM in laboratory work. In order to determine the performance of the calorimeter, benzoic acid as CRM, from AlliedSignal Riedelda Haen, Ref.: 33045 and SiO2, Pro analyze, in various mass ratios was used. The results showed that benzoic acid can be successfully utilized for the control of the entire technical and instrumental measuring range and resolve the problem of determination of the limit of detection and quantification of the calorimeter.

  3. Natural oils affect the human skin integrity and the percutaneous penetration of benzoic acid dose-dependently

    Nielsen, Jesper Bo


    Abstract: Natural oils are extensively used in cosmetics and as treatment for a growing number of more or less specific ailments. Skin irritation and cases of allergy have repeatedly been described in the literature following exposure to these oils. The present study evaluated the extent to which...... three natural oils (eucalyptus oil, tea tree oil, peppermint oil) would affect the skin integrity and the percutaneous penetration of benzoic acid when applied topically in relevant concentrations. An experimental in vitro model using static diffusion cells mounted with human breast or abdominal skin...... was applied. The three natural oils decreased the skin integrity dose-dependently. Concomitant dermal exposure to low concentrations of peppermint oil reduced the percutaneous penetration of benzoic acid. The present study lends support to the notion that low concentrations of peppermint oil may act...

  4. Self-assembled structure of alkyloxy substituted benzoic acid methyl ester on HOPG:An STM study

    YUAN Qunhui; LU Jun; WAN Lijun; BAI Chunli


    Self-assembled structures of 3,4,5-tris-dodecy- loxy benzoic acid methyl ester (E12), 3,4,5-tris-tetradecy- loxy-benzoic acid methyl ester (E14) and their mixture (E12/E14) have been studied on HOPG by scanning tunneling microscopy (STM). Dimer-like patterns induced by dipole-dipole interaction are observed in E12 and E14 monolayers. The molecules form close-packed rows and interdigitate with the alkyl chains in adjacent molecules. The structural differences are proposed to be from the different length of substituted alkyl chains. Owing to similar adsorption energy, phase separation is observed in the E12 and E14 mixed adlayer with different domains.

  5. Preparation, characterization and catalytic properties of MCM-48 supported tungstophosphoric acid mesoporous materials for green synthesis of benzoic acid

    Wu, Hai-Yan; Zhang, Xiao-Li; Chen, Xi; Chen, Ya; Zheng, Xiu-Cheng, E-mail:


    MCM-48 and tungstophosphoric acid (HPW) were prepared and applied for the synthesis of HPW/MCM-48 mesoporous materials. The characterization results showed that HPW/MCM-48 obtained retained the typical mesopore structure of MCM-48, and the textural parameters decreased with the increase loading of HPW. The catalytic oxidation results of benzyl alcohol and benzaldehyde with 30% H{sub 2}O{sub 2} indicated that HPW/MCM-48 was an efficient catalyst for the green synthesis of benzoic acid. Furthermore, 35 wt% HPW/MCM-48 sample showed the highest activity under the reaction conditions. Highlights: • 5–45 wt% HPW/MCM-48 mesoporous catalysts were prepared and characterized. • Their catalytic activities for the green synthesis of benzoic acid were investigated. • HPW/MCM-48 was approved to be an efficient catalyst. • 5 wt% HPW/MCM-48 exhibited the highest catalytic activity.

  6. Overexpression of acetyl-CoA synthetase in Saccharomyces cerevisiae increases acetic acid tolerance

    Ding, Jun; Holzwarth, Garrett; Penner, Michael H.; Patton-Vogt, Jana; Bakalinsky, Alan T.


    Acetic acid-mediated inhibition of the fermentation of lignocellulose-derived sugars impedes development of plant biomass as a source of renewable ethanol. In order to overcome this inhibition, the capacity of Saccharomyces cerevisiae to synthesize acetyl-CoA from acetic acid was increased by overexpressing ACS2 encoding acetyl-coenzyme A synthetase. Overexpression of ACS2 resulted in higher resistance to acetic acid as measured by an increased growth rate and shorter lag phase relative to a ...

  7. Syntrophic acetate oxidation in industrial CSTR biogas digesters.

    Sun, Li; Müller, Bettina; Westerholm, Maria; Schnürer, Anna


    The extent of syntrophic acetate oxidation (SAO) and the levels of known SAO bacteria and acetate- and hydrogen-consuming methanogens were determined in sludge from 13 commercial biogas production plants. Results from these measurements were statistically related to the prevailing operating conditions, through partial least squares (PLS) analysis. This revealed that high abundance of microorganisms involved in SAO was positively correlated with relatively low abundance of aceticlastic methanogens and high concentrations of free ammonia (>160 mg/L) and volatile fatty acids (VFA). Temperature was identified as another influencing factor for the population structure of the syntrophic acetate oxidising bacteria (SAOB). Overall, there was a high abundance of SAOB in the different digesters despite differences in their operating parameters, indicating that SAOB are an enduring and important component of biogas-producing consortia.

  8. A Green Synthesis of 2-Ethylanthraquinone by Dehydration of 2-(4'-ethylbenzoyl) benzoic Acid over Solid Acid Catalysts

    Ren Shu XU; Xin Wen GUO; Gui Ru WANG; Zhu Xia ZHANG


    The dehydration of 2-(4'-ethylbenzoyl) benzoic acid (BE acid) to 2-ethylanthraquinone(2-EAQ) was investigated over solid acid catalysts. The results showed that H-beta zeolite catalyst modified by dilute HNO3 solution exhibited an excellent performance. In our study, theconversion of BE acid can reach 96.7%, and the selectivity to 2-EAQ is up to 99.6%.

  9. Modification of Poly Ethylene Glycol with 4, 4-Azo Di Benzoic Acid and Study of Its Physical Properties

    *Z. A. AL Mousway


    Full Text Available Polyethylene glycol 20000 was modified by copolymerization with 4, 4-Azo di benzoic acid, using cold-warm esterfication. The modified copolymer has been characterized by Fourier transform infrared spectrophotometer (FT-IR which showed characteristic vibrational bands of OH, CO and N=N groups. The modified copolymer was subjected to differential scanning colorimeter (DSC, conductivity and swelling measurements. The obtained results of the thermal behavior (DSC for the different percentage of prepared copolymers were (I=10% PEG +10% 4, 4-Azo di benzoic acid= 54.2◦C, as well as (II=20% = 68.6◦C, (III=30% = 81.5◦C, (IV=40% = 93.3◦C and (V=50% = 120◦C. This means that perfect results when the polyethylene glycol 50% mixed with 50% of 4, 4-Azo di benzoic acid. While the conductivity of all copolymer in an aqueous phase with varying chain lengths of PEG reacted with 4, 4-Azo di benzoic acid, in different percentage were (I = 75.6, (II = 151.8, (III = 165.3, (IV = 226 and (V = 277 Λm(S.cm2.mol-1. In ethanol, the copolymers were observed to have electrolyte behaviors. The solubility of the prepared copolymer was tested in different solvents at 25◦C. It is highly soluble in DMSO and DMF and insoluble in other solvents. The experiment of measuring the degree of swelling under room temperature, in equal periods of time, showed good water uptake and required ~ 12 hours for reaching the equilibrium for the different percentage of prepared copolymers.

  10. Chemical and biologic characteristics of roxatidine acetate.

    Bickel, M; Herling, A W; Schoelkens, B; Scholtholt, J


    Roxatidine acetate is a specific and competitive H2-receptor antagonist, as shown in isolated rabbit gastric glands or guinea pig atria preparations. The antisecretory effect of roxatidine acetate is mediated by its main metabolite, roxatidine. In the rat, roxatidine acetate was equipotent after intraduodenal and intraperitoneal administration, indicating excellent bioavailability. Roxatidine acetate and roxatidine were equipotent in the rat after intravenous administration. In the Heidenhain-pouch dog stimulated by food ingestion or maximal histamine dosing, roxatidine acetate and roxatidine proved to be 3-6 times more potent than cimetidine in inhibiting gastric acid secretion. From in vitro experiments it can be concluded that roxatidine acetate and ranitidine are equipotent. Roxatidine acetate has no antiandrogenic effects and does not influence drug-metabolizing enzymes in the liver.


    ZHANG Gencheng; LIUFuqiang; FEI Zhenghao; LI Aimin; ZHANG Quanxing


    A comparison of the adsorption of benzoic acid and p-nitrobenzoic acid on the new hypercrosslinked polymeric adsorbent AM-I, with that by macroporous Amberlite XAD-4, including the equilibrium adsorption isotherms, the dynamic adsorption behaviors through column and the adsorption thermodynamics were studied. Results show that Freundlich equation gives a fitting adsorption isotherm. The specific surface of AM-l is only 67% of that of Amberlite XAD-4, but the adsorption capacities on AM-1 are much higher about 125%~166% than that on Amberlite XAD-4,which is contributed to the micropore mechanism and polarity. The negative values of the adsorption enthalpy are indicative of an exothermic process. Enthalpy and free energy changes of adsorption both manifest a physic-sorption process. The negative values of the adsorption entropy indicate that the adsorption is well consistent with the restricted mobilities and the configurations of the adsorbed benzoic acid molecules on the surface of studied adsorbents with superficial heterogeneity. Both adsorbents were used in mini-column experiments for adsorbing benzoic acid expecting to elucidate the higher breakthrough adsorption capacity of the new hypercrosslinked polymeric adsorbent AM-1 as compared with that of Amberlite XAD-4.

  12. Benzoic acid–2-{(E-[(E-2-(2-pyridylmethylidenehydrazin-1-ylidene]methyl}pyridine (2/1

    Hadi D. Arman


    Full Text Available The asymmetric unit of the title cocrystal, C12H10N4·2C7H6O2, comprises a single molecule of benzoic acid and one half-molecule of 2-pyridinealdazine situated about a centre of inversion. The carboxyl group is coplanar with the benzene ring to which it is connected [O—C—C—C = −172.47 (12°] and similarly, the 2-pyridinealdazine molecule is planar (r.m.s. deviation of the 16 non-H atoms = 0.017 Å. In the crystal, molecules are connected into a non-planar three-molecule aggregate [dihedral angle between the benzene and pyridyl ring connected by the hydrogen bond = 61.30 (7°] with a twisted Z-shape. Layers of 2-pyridinealdazine molecules in the ab plane are sandwiched by benzoic acid molecules being connected by O—H...N and C—H...O interactions, the latter involving the carbonyl O atom so that each benzoic acid molecule links three different 2-pyridinealdazine molecules. Interdigitated layers stack along the c axis.


    Fu-qiang Liu; Jin-long Chen; Ai-min Li; Zheng-hao Fei; Zhao-lian Zhu; Quan-xing Zhang


    The adsorption behavior of benzoic acid onto a water-compatible hypercrosslinked polymeric adsorbent NJ-8 was compared with that onto macroporous Amberlite XAD-4. This paper focuses on the static equilibrium adsorption behaviors,the adsorption thermodynamics and the column dynamic adsorption profiles. Five isotherm models are used to fit the results.This shows that the Freundlich equation can give a perfect fit. The specific surface area of NJ-8 is about as high as that of Amberlite XAD-4, but the adsorbing capacity for benzoic acid on NJ-8 is about 14.9%-64.8% higher than that on Amberlite XAD-4, which is attributed to its microporous mechanism and partial polarity. The negative values of the adsorption enthalpy are indicative of an exothermic process. Both enthalpy and free energy changes of adsorption manifest a physical sorption process. The negative values of the adsorption entropy indicate that adsorption is well consistent with the restricted mobilities and the configurations of the adsorbed molecules on the surface of the studied adsorbents with superficial heterogeneity. Both adsorbents were used in mini-column experiments to demonstrate the higher breakthrough adsorbing capacity of the hypercrosslinked polymeric adsorbent NJ-8 to benzoic acid, as compared with that of Amberlite XAD-4.

  14. Synthesis, oxygenation and catalytic performance of manganese complex with p-aminomethyl benzoic acid Schiff base


    The amino acid Schiff base complex (Sal-AMBA-Mn) was prepared with p-amino-methylbenzoic acid, salicylaldehyde N-dimethylformamide solution was investigated. The results show that lower temperature is in favor of the oxygenation, and energy,dehydroepiandrosterone acetate is effectively oxidized by molecular oxygen and the corresponding enone 7-keto-dehydroepiandrosterone acetate is obtained. The yield is 62.1% when the oxidation is carried out under the reaction conditions of 60℃C, 2 MPa of O2 pressure, C5H5N as a solvent and molar ratio of the substrate to the complex of 1:10.

  15. Spontaneous adsorption of 3,5-bis(3,5-dinitrobenzoylamino) benzoic acid onto carbon

    Paez, Julieta I.; Strumia, Miriam C. [Departamento de Quimica Organica (IMBIV-CONICET), Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, Cordoba (5000) (Argentina); Passeggi, Mario C.G. [Laboratorio de Superficies e Interfaces (INTEC-CONICET), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santa Fe (3000) (Argentina); Ferron, Julio [Laboratorio de Superficies e Interfaces (INTEC-CONICET), Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santa Fe (3000) (Argentina); Departamento de Materiales, Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Santa Fe (3000) (Argentina); Baruzzi, Ana M. [Departamento de Fisicoquimica (INFIQC-CONICET), Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, Cordoba (5000) (Argentina); Brunetti, Veronica [Departamento de Fisicoquimica (INFIQC-CONICET), Facultad de Ciencias Quimicas, Universidad Nacional de Cordoba, Cordoba (5000) (Argentina)], E-mail:


    Dendritic molecules contain multifunctional groups that can be used to efficiently control the properties of an electrode surface. We are developing strategies to generate a highly functionalized surface using multifunctional and rigid dendrons immobilized onto different substrates. In the present work, we explore the immobilization of a dendritic molecule: 3,5-bis(3,5-dinitrobenzoylamino) benzoic acid (D-NO{sub 2}) onto carbon surfaces showing a simple and rapid way to produce conductive surfaces with electroactive chemical functions. The immobilized D-NO{sub 2} layer has been characterized using atomic force microscopy and cyclic voltammetry. D-NO{sub 2} adsorbs onto carbon surfaces spontaneously by dipping the electrode in dendron solutions. Reduction of this layer generates the hydroxylamine product. The resulting redox-active layer exhibits a well-behaved redox response for the adsorbed nitroso/hydroxylamine couple. The film permeability of the derivatized surface has been analyzed employing the electrochemical response of redox probes: Ru(NH{sub 3}){sub 6}{sup 3+}/Ru(NH{sub 3}){sub 6}{sup 2+} and Fe(CN){sub 6}{sup 3-}/Fe(CN){sub 6}{sup 4-}. Electrocatalytic oxidation of nicotinamide adenine dinucleotide onto a modified carbon surface was also observed.

  16. Short communication: Change of naturally occurring benzoic acid during skim milk fermentation by commercial cheese starters.

    Han, Noori; Park, Sun-Young; Kim, Sun-Young; Yoo, Mi-Young; Paik, Hyun-Dong; Lim, Sang-Dong


    This study sought to investigate the change of naturally occurring benzoic acid (BA) during skim milk fermentation by 4 kinds of commercial cheese starters used in domestic cheese. The culture was incubated at 3-h intervals for 24h at 30, 35, and 40°C. The BA content during fermentation by Streptococcus thermophilus STB-01 was detected after 12h at all temperatures, sharply increasing at 30°C. In Lactobacillus paracasei LC431, BA was detected after 9h at all temperatures, sharply increasing until 18h and decreasing after 18h at 30 and 35°C. In the case of R707 (consisting of Lactococcus lactis ssp. lactis and Lactococcus lactis ssp. cremoris), BA increased from 6h to 15h and decreased after 15h at 40°C. The BA during STB-01 and CHN-11 (1:1; mixture of S. thermophilus, Lc. lactis ssp. lactis, Lc. lactis ssp. cremoris, Lc. lactis ssp. diacetylactis, Leuconostoc mesenteroides ssp. cremoris) fermentation was detected after 3h at 35 and 40°C, sharply increasing up to 12h and decreasing after 15h at 35°C, and after 6h, increasing up to 9h at 30°C. After 3h, it steadily decreased at 40°C. The highest amount of BA was found during the fermentation by R707 at 30°C; 15h with 12.46mg/kg.

  17. Co-culture engineering for microbial biosynthesis of 3-amino-benzoic acid in Escherichia coli.

    Zhang, Haoran; Stephanopoulos, Gregory


    3-amino-benzoic acid (3AB) is an important building block molecule for production of a wide range of important compounds such as natural products with various biological activities. In the present study, we established a microbial biosynthetic system for de novo 3AB production from the simple substrate glucose. First, the active 3AB biosynthetic pathway was reconstituted in the bacterium Escherichia coli, which resulted in the production of 1.5 mg/L 3AB. In an effort to improve the production, an E. coli-E. coli co-culture system was engineered to modularize the biosynthetic pathway between an upstream strain and an downstream strain. Specifically, the upstream biosynthetic module was contained in a fixed E. coli strain, whereas a series of E. coli strains were engineered to accommodate the downstream biosynthetic module and screened for optimal production performance. The best co-culture system was found to improve 3AB production by 15 fold, compared to the mono-culture approach. Further engineering of the co-culture system resulted in biosynthesis of 48 mg/L 3AB. Our results demonstrate co-culture engineering can be a powerful new approach in the broad field of metabolic engineering.

  18. Syntheses,characteristics and fluorescence properties of complexes of terbium with benzoic acid and its derivatives

    ZHOU Zhong-cheng; SHU Wan-gen; RUAN Jian-ming; HUANG Bai-yun; LIU You-nian


    The binary complexes of terbium with benzoic acid and its derivatives (phthalic acid,iso-phthalic acid,oaminobenzoic acid,salicylic acid,sulfosalicylic acid) were synthesized and their compositions were identified by elemental analyses.UV,IR of the complexes were investigated.The UV spectra indicate that the complexes'ultraviolet absorption is mainly the ligands' absorption,but the location of peak drifts.The IR spectra show that the IR spectra of complexes are different from those of free ligands,and the band at 400-500 cm-1,due to the stretching vibration of Tb-O,is absent for free ligands.The fluorescence properties were investigated by using luminescence spectroscope,the results show that all the six complexes of terbium exhibit excellent luminescence,due to the transition from the lowest excited state 5D4 to 7F ground state manifold,the complexes of terbium with sulfosalicylic acid have the strongest fluorescence intensity,and is stronger than o-aminobenzoic acid-terbium,whose fluorescence intensity is regarded as the strongest one in the literature,and even stronger than some phosphor of terbium.

  19. Benzoic Acid Interactions Affect Aquatic Properties and Toxicity of Copper Oxide Nanoparticles.

    Wang, Zhuang; Fang, Hao; Wang, Se


    Effects of benzoic acid (BA) on physicochemical properties and ecotoxicities of CuO nanoparticles (CuONPs) in model aqueous media were studied. The CuONPs had larger hydrodynamic sizes and higher surface zeta potentials during 96 h of settling in the presence of BA than when the BA were not present. BA interaction with CuONPs is shown to promote dissolved Cu release from CuONPs in a dose-dependent manner. The contribution of free Cu(2+)-ions to growth inhibition toxicity of the CuONP suspensions at a toxicologically relevant concentration for the green alga Scenedesmus obliquus was around 22 %, indicating that dissolved fraction was not the major source of toxicity of CuONPs. The toxicity of CuONPs increased as the BA concentration increased. BA significantly altered total antioxidant capacity of CuONPs-exposed algal cells. The mechanism of the BA effect on the CuONPs toxicity may be mainly associated with degree of agglomeration, dissolved Cu, and particle-induced oxidative stress.

  20. Comparison of inhibition effects of some benzoic acid derivatives on sheep heart carbonic anhydrase

    Kiliç, Deryanur; Yildiz, Melike; Şentürk, Murat; Erdoǧan, Orhan; Küfrevioǧlu, Ömer Irfan


    Carbonic anhydrase (CA) is a family of metalloenzymes that requires Zn as a cofactor and catalyze the quick conversion of CO2 to HCO3- and H+. Inhibitors of the carbonic anhydrases (CAs) have medical usage of significant diseases such as glaucoma, epilepsy, gastroduodenal ulcers, acid-base disequilibria and neurological disorders. In the present study, inhibition of CA with some benzoic derivatives (1-6) were investigated. Sheep heart CA (shCA) enzyme was isolated by means of designed affinity chromatography gel (cellulose-benzyl-sulfanylamide) 42.45-fold in a yield of 44 % with 564.65 EU/mg. Purified shCA enzyme was used in vitro studies. In the studies, IC50 values were calculated for 3-aminobenzoic acid (1), 4-aminobenzoic acid (2), 2-hydroxybenzoic acid (3), 2-benzoylbenzoic acid (4), 2,3-dimethoxybenzoic acid (5), and 3,4,5-trimethoxybenzoic acid (6), showing the inhibition effects on the purified enzyme. Such molecules can be used as pioneer for discovery of novel effective CA inhibitors for medicinal chemistry applications.

  1. Iron-catalyzed photochemical transformation of benzoic acid in atmospheric liquids: Product identification and reaction mechanisms

    Deng, Yiwei; Zhang, Kai; Chen, Hao; Wu, Taixing; Krzyaniak, Metthew; Wellons, Amina; Bolla, Dawn; Douglas, Kenneth; Zuo, Yuegang

    This study investigated iron-catalyzed photochemical oxidation of benzoic acid (BA), one of the major photodegradation products of petroleum hydrocarbons, under sunlight or monochromatic light irradiation in a wavelength range of 254-419 nm. The photochemical degradation of BA in the absence of iron (III) occurred at irradiation wavelengths below 300 nm. The photochemical transformation of BA in the presence Fe(III) was observed at both 254, 350, 419 nm and under solar irradiation. The half-life for the photodegradation of BA (100 μM) was 160±20 min in the presence of 20 μM Fe(III) at pH 3.20 on sunny August days at noon time. The degradation rate increased with increasing concentration of Fe(III). The reaction products were separated and identified using capillary electrophoresis (CE), gas chromatography/mass spectrometry (GC/MS) and UV-Visible spectrophotometry. The major reaction products were 2-hydroxybenzoic, 3-hydroxybenzoic and 4-hydroxybenzoic acids. Hydrogen peroxide (H 2O 2) and Fe(II) species were also formed during the photochemical reactions. The proposed reaction mechanisms include the photoexcitation of Fe(III) hydroxide complexes to form Fe(II) ions and hydroxyl radicals (OH rad ) that attack ortho, meta and para positions of BA to form corresponding monohydroxybenzoic acids and H 2O 2. The monohydroxybenzoic acids formed further react with hydroxyl and surperoxide radicals (HO 2- rad /O 2- rad ) to yield dihydroxybenzoic acids in atmospheric water droplets.

  2. Polyoxometalate coordinated transition metal complexes as catalysts: Oxidation of styrene to benzaldehyde/benzoic acid

    Srinivasa Rao Amanchi; Anjali Patel; Samar K Das


    Oxidation of styrene is carried out by using heptamolybdate coordinated transition metal (Co2+, Zn2+) complexes, [2-ampH]4[{Co(H2O)5}Mo7O24]·9H2O (1), [3-ampH]4[{Co(H2O)5}Mo7O24]·9H2O (2), [2-ampH]4[{Zn(H2O)5}Mo7O24]·4H2O (3) and [3-ampH]4[{Zn(3-ampy)(H2O)4}Mo7O24]·4H2O (4) as catalysts and H2O2 as an oxidant at 80°C. The leaching study has been carried out to check the quality of catalyst and it has been reused for three times with good percentage of conversion. For the first two catalysts (compounds 1 and 2), the major product obtained is benzaldehyde, and benzoic acid is the major product for next two catalysts (compounds 3 and 4). Stability of the catalysts has been analyzed by IR, UV-spectroscopy and powder X-ray crystallography.

  3. Absolute quantification for benzoic acid in processed foods using quantitative proton nuclear magnetic resonance spectroscopy.

    Ohtsuki, Takashi; Sato, Kyoko; Sugimoto, Naoki; Akiyama, Hiroshi; Kawamura, Yoko


    The absolute quantification method of benzoic acid (BA) in processed foods using solvent extraction and quantitative proton nuclear magnetic resonance spectroscopy was developed and validated. BA levels were determined using proton signals (δ(H) 7.53 and 7.98) referenced to 2-dimethyl-2-silapentane-5-sulfonate-d(6) sodium salt (DSS-d(6)) after simple solvent extraction from processed foods. All recoveries from several kinds of processed foods, spiked at their specified maximum Japanese usage levels (0.6-2.5 g kg(-1)) and at 0.13 g kg(-1) and 0.063 g kg(-1), were greater than 80%. The limit of quantification was confirmed as 0.063 g kg(-1) in processed foods, which was sufficiently low for the purposes of monitoring BA. The accuracy of the proposed method is equivalent to the conventional method using steam-distillation extraction and high-performance liquid chromatography. The proposed method was both rapid and simple. Moreover, it provided International System of Units traceability without the need for authentic analyte standards. Therefore, the proposed method is a useful and practical tool for determining BA levels in processed foods.

  4. Production of benzoic acid as a natural compound in fermented skim milk using commercial cheese starter.

    Park, Sun-Young; Yoo, Mi-Young; Paik, Hyun-Dong; Lim, Sang-Dong


    In this study, we investigated the production of natural benzoic acid (BA) in skim milk fermentation by 5 kinds of commercial cheese starters. Five kinds of starter were inoculated into 10% reconstituted skim milk, and then the culture was incubated at 2-h intervals for 10 h at 30, 35, and 40°C. In fermentation by MW 046 N+LH 13, the starter for making raclette, BA was highly detected after 8 h at 30 and 35°C. In fermentation by LH 13, the starter for making berg, BA steadily increased and was highly detected at 40°C. In fermentation by TCC-3+TCC-4, the starter for making Caciocavallo and mozzarella, BA was detected after 2 h at 40°C. Also, BA was detected after 4 and 8 h at 35 and 30°C, respectively. In fermentation by Flora-Danica, the starter for making Gouda, BA was increased until 6 h and decreased after 6 h at all temperatures. Among the 5 kinds of fermentation, the level of BA was the highest in fermentation by Flora-Danica at 6 h at 35°C, at 14.55 mg/kg. Copyright © 2017 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  5. Mn(II) complexes with bipyridine, phenanthroline and benzoic acid: Biological and catalase-like activity

    Ibrahim Kani; Özlem Atlier; Kiymet Güven


    Five mononuclear Mn(II) complexes, [Mn(phen)2(ClO4)2] (1), [Mn(phen)3](ClO4)2(H2CO3)2(2), [Mn(bipy)2(ClO4)2] (3), [Mn(bipy)3](ClO4)2) (4), and Mn(phen)2(ba)(H2O)](ClO4)(CH3OH) (5), where bipy = 2,2’-bipyridine, phen = 1,10-phenanthroline, and ba = benzoic acid were prepared and characterized by Xray, IR and UV-Vis spectroscopies, and their catalase-like and biological activities were studied. The presence of two different types and the number of chelating NN-donor neutral ligands allowed for analysis of their effects on the catalase and biological activities. It was observed that the presence and number of phen ligands improved the activity more than the bipy ligand. Complexes 1 and 2, which contain more basic phen ligands, disproportionate H2O2 faster than complexes 3 and 4, which contain less basic bipy ligands. The in vitro antimicrobial activities of all the complexes were also tested against seven bacterial strains by microdilution tests. All the bacterial isolates demonstrated sensitivity to the complexes and the antifungal (anticandidal) activities of the Mn(II) complexes were remarkably higher than the reference drug ketoconazole.

  6. Self-Assembled Structures of Benzoic Acid on Au(111) Surface

    Vu, Thu-Hien; Wandlowski, Thomas


    Electrochemical scanning tunneling microscopy combined with cyclic voltammetry were employed to explore the self-assembly of benzoic acid (BA) on a Au(111) substrate surface in a 0.1-M HClO4 solution. At the negatively charged surface, BA molecules form two highly ordered physisorbed adlayers with their phenyl rings parallel to the substrate surface. High-resolution scanning tunneling microscopy images reveal the packing arrangement and internal molecular structures. The striped pattern and zigzag structure of the BA adlayers are composed of parallel rows of dimers, in which two BA molecules are bound through a pair of O-H···O hydrogen bonds. Increasing the electrode potential further to positive charge densities of Au(111) leads to the desorption of the physisorbed hydrogen-bonded networks and the formation of a chemisorbed adlayer. BA molecules change their orientation from planar to upright fashion, which is accompanied by the deprotonation of the carboxyl group. Furthermore, potential-induced formation and dissolution of BA adlayers were also investigated. Structural transitions between the various types of ordered adlayers occur according to a nucleation and growth mechanism.

  7. Modified ferrous ammonium sulfate benzoic acid xyelenol orange (MFBX) and thermoluminescent dosimeters--a comparative study.

    Brindha, S; Rose, J V R; Sathyan, S; Singh I, Rabi Raja; Ravindran, B Paul


    Radiation dosimetry deals with the determination of absorbed dose to the medium exposed to ionizing radiation. Chemical dosimetry depends on oxidation or reduction of chemicals by ionizing radiation. A ferrous ammonium sulfate benzoic acid xyelenol orange (FBX) dosimeter based on this principle is being used as a clinical dosimeter at present. Certain modifications were carried out in the preparation and storage of the FBX dosimeter to increase its shelf life. The resulting dosimeter was called a modified FBX (MFBX) dosimeter and has been used in our department for the past few years. An extensive study of the dose, dose rate and energy response of the dosimeter was carried out and compared with a thermoluminescent (LiF7) dosimeter. The results obtained were found to be comparable to the thermoluminescent (LiF7) dosimeter. Hence it was concluded that the MFBX dosimeter could be used for phantom dosimetry, data collection and in vivo measurements. Easier preparation and availability of the reagents are added advantages of using MFBX as a clinical dosimeter in small radiotherapy departments.

  8. Acetate oxidation is the dominant methanogenic pathway from actetate in the absence of Methanosaetaceae

    Karakashev, Dimitar Borisov; Batstone, Damien J.; Trably, Eric


    The oxidation of acetate to hydrogen, and the subsequent conversion of hydrogen and carbon dioxide to methane, has been regarded largely as a niche mechanism occurring at high temperatures or under inhibitory conditions. In this study, 13 anaerobic reactors and sediment from a temperate anaerobic...... lake were surveyed for their dominant methanogenic population by using fluorescent in situ hybridization and for the degree of acetate oxidation relative to aceticlastic conversion by using radiolabeled [2-C-14]acetate in batch incubations. When Methanosaetaceae were not present, acetate oxidation...

  9. Isobaric Vapor-Liquid Equilibrium of Binary Systems: p-Xylene + (Acetic Acid, Methyl Acetate and n-Propyl Acetate)and Methyl Acetate + n-Propyl Acetate in an Acetic Acid Dehydration Process

    HUANG Xiuhui; ZHONG Weimin; PENG Changjun; QIAN Feng


    The vapor-liquid equilibrium data of four binary systems(acetic acid + p-xylene,methyl acetate + n-propyl acetate,n-propyl acetate + p-xylene and methyl acetate + p-xylene)are measured at 101.33 kPa with Ellis equilibrium still,and then both the NRTL and UNIQUAC models are used in combination with the HOC model for correlating and estimating the vapor-liquid equilibrium of these four binary systems.The estimated binary VLE results using correlated parameters agree well with the measured data except the methyl acetate + p-xylene system which easily causes bumping and liquid rushing out of the sampling tap due to their dramatically different boiling points.The correlation results by NRTL and UNIQUAC models have little difference on the average absolute deviations of temperature and composition of vapor phase,and the results by NRTL model are slightly better than those by UNIQUAC model except for the methyl acetate + n-propyl acetate system,for which the latter gives more accurate correlations.

  10. 21 CFR 184.1005 - Acetic acid.


    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true 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. Fischer indolisation of N-(α-ketoacyl)anthranilic acids into 2-(indol-2-carboxamido)benzoic acids and 2-indolyl-3,1-benzoxazin-4-ones and their NMR study.

    Proisl, Karel; Kafka, Stanislav; Urankar, Damijana; Gazvoda, Martin; Kimmel, Roman; Košmrlj, Janez


    N-(α-ketoacyl)anthranilic acids reacted with phenylhydrazinium chloride in boiling acetic acid to afford 2-(indol-2-carboxamido)benzoic acids in good to excellent yields and 2-indolyl-3,1-benzoxazin-4-ones as by-products. The formation of the latter products could easily be suppressed by a hydrolytic workup. Alternatively, by increasing the reaction temperature and/or time, 2-indolyl-3,1-benzoxazin-4-ones can be obtained exclusively. Optimisations of the reaction conditions as well as the scope and the course of the transformations were investigated. The products were characterized by (1)H, (13)C and (15)N NMR spectroscopy. The corresponding resonances were assigned on the basis of the standard 1D and gradient selected 2D NMR experiments ((1)H-(1)H gs-COSY, (1)H-(13)C gs-HSQC, (1)H-(13)C gs-HMBC) with (1)H-(15)N gs-HMBC as a practical tool to determine (15)N NMR chemical shifts at the natural abundance level of (15)N isotope.

  12. Effect of acetic acid on lipid accumulation by glucose-fed activated sludge cultures

    Mondala, Andro; Hernandez, Rafael; French, Todd; McFarland, Linda; Sparks, Darrell; Holmes, William; Haque, Monica


    The effect of acetic acid, a lignocellulose hydrolysis by-product, on lipid accumulation by activated sludge cultures grown on glucose was investigated. This was done to assess the possible application of lignocellulose as low-cost and renewable fermentation substrates for biofuel feedstock production. Results: Biomass yield was reduced by around 54% at a 2 g L -1 acetic acid dosage but was increased by around 18% at 10 g L -1 acetic acid dosage relative to the control run. The final gravimetric lipid contents at 2 and 10 g L -1 acetic acid levels were 12.5 + 0.7% and 8.8 + 3.2% w/w, respectively, which were lower than the control (17.8 + 2.8% w/w). However, biodiesel yields from activated sludge grown with acetic acid (5.6 + 0.6% w/w for 2 g L -1 acetic acid and 4.2 + 3.0% w/w for 10 g L -1 acetic acid) were higher than in raw activated sludge (1-2% w/w). The fatty acid profiles of the accumulated lipids were similar with conventional plant oil biodiesel feedstocks. Conclusions: Acetic acid enhanced biomass production by activated sludge at high levels but reduced lipid production. Further studies are needed to enhance acetic acid utilization by activated sludge microorganisms for lipid biosynthesis.

  13. Acetate oxidation by syntrophic association between Geobacter sulfurreducens and a hydrogen-utilizing exoelectrogen.

    Kimura, Zen-ichiro; Okabe, Satoshi


    Anodic microbial communities in acetate-fed microbial fuel cells (MFCs) were analyzed using stable-isotope probing of 16S rRNA genes followed by denaturing gradient gel electrophoresis. The results revealed that Geobacter sulfurreducens and Hydrogenophaga sp. predominated in the anodic biofilm. Although the predominance of Geobacter sp. as acetoclastic exoelectrogens in acetate-fed MFC systems has been often reported, the ecophysiological role of Hydrogenophaga sp. is unknown. Therefore, we isolated and characterized a bacterium closely related to Hydrogenophaga sp. (designated strain AR20). The newly isolated strain AR20 could use molecular hydrogen (H2), but not acetate, with carbon electrode as the electron acceptor, indicating that the strain AR20 was a hydrogenotrophic exoelectrogen. This evidence raises a hypothesis that acetate was oxidized by G. sulfurreducens in syntrophic cooperation with the strain AR20 as a hydrogen-consuming partner in the acetate-fed MFC. To prove this hypothesis, G. sulfurreducens strain PCA was cocultivated with the strain AR20 in the acetate-fed MFC without any dissolved electron acceptors. In the coculture MFC of G. sulfurreducens and strain AR20, current generation and acetate degradation were the highest, and the growth of strain AR20 was observed. No current generation, acetate degradation and cell growth occurred in the strain AR20 pure culture MFC. These results show for the first time that G. sulfurreducens can oxidize acetate in syntrophic cooperation with the isolated Hydrogenophaga sp. strain AR20, with electrode as the electron acceptor.

  14. Isotope fractionation during the anaerobic consumption of acetate by methanogenic and sulfate-reducing microorganisms

    Gövert, D.; Conrad, R.


    During the anaerobic degradation of organic matter in anoxic sediments and soils acetate is the most important substrate for the final step in production of CO2 and/or CH4. Sulfate-reducing bacteria (SRB) and methane-producing archaea both compete for the available acetate. Knowledge about the fractionation of 13C/12C of acetate carbon by these microbial groups is still limited. Therefore, we determined carbon isotope fractionation in different cultures of acetate-utilizing SRB (Desulfobacter postgatei, D. hydrogenophilus, Desulfobacca acetoxidans) and methanogens (Methanosarcina barkeri, M. acetivorans). Including literature values (e.g., Methanosaeta concilii), isotopic enrichment factors (epsilon) ranged between -35 and +2 permil, possibly involving equilibrium isotope effects besides kinetic isotope effects. The values of epsilon were dependent on the acetate-catabolic pathway of the particular microorganism, the methyl or carboxyl position of acetate, and the relative availability or limitation of the substrate acetate. Patterns of isotope fractionation in anoxic lake sediments and rice field soil seem to reflect the characteristics of the microorganisms actively involved in acetate catabolism. Hence, it might be possible using environmental isotopic information to determine the type of microbial metabolism converting acetate to CO2 and/or CH4.

  15. Extractive fermentation of acetic acid

    Busche, R.M. [Bio En-Gene-Er Associates, Inc., Wilmington, DE (United States)


    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.

  16. Search for Deuterated methyl acetate in the ISM

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


    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.

  17. Optimization of coproduction of ethyl acetate and n-butyl acetate by reactive distillation☆

    Hui Tian; Suying Zhao; Huidong Zheng; Zhixian Huang


    Based on a previous investigation, a simulation model was used for optimization of coproduction of ethyl acetate and n-butyl acetate by reactive distil ation. An experimental setup was established to verify the simulated results. The effects of various operating variables, such as ethanol feed location, acetic acid feed location, feed stage of reaction mixture of acetic acid and n-butanol, reflux ratio of ethyl acetate reactive distillation column, and distil-late to feed ratio of n-butyl acetate column, on the ethanol/n-butanol conversions, ethyl acetate/n-butyl acetate purity, and energy consumption were investigated. The optimal results in the simulation study are as follows:ethanol feed location, 15th stage;acetic acid feed location, eighth stage;feed location of reaction mixture of acetic acid and n-butanol, eighth stage;reflux ratio of ethyl acetate reactive distillation column, 2.0;and distillate to feed ratio of n-butyl acetate, 0.6.

  18. Effects of benzoic Acid and dietary calcium:phosphorus ratio on performance and mineral metabolism of weanling pigs.

    Gutzwiller, A; Schlegel, P; Guggisberg, D; Stoll, P


    In a 2×2 factorial experiment the hypotheses tested were that the metabolic acid load caused by benzoic acid (BA) added to the feed affects bone mineralization of weanling pigs, and that a wide dietary calcium (Ca) to phosphorus (P) ratio in phytase-supplemented feeds with a marginal P concentration has a positive effect on bone mineralization. The four experimental diets, which contained 0.4% P and were supplemented with 1,000 FTU phytase/kg, contained either 5 g BA/kg or no BA and either 0.77% Ca or 0.57% Ca. The 68 four-week-old Large White pigs were fed the experimental diets ad libitum for six weeks and were then slaughtered. Benzoic acid increased feed intake (p = 0.009) and growth rate (p = 0.051), but did not influence the feed conversion ratio (p>0.10). Benzoic acid decreased the pH of the urine (p = 0.031), but did not affect breaking strength and mineralization of the tibia (p>0.10). The wide Ca:P ratio decreased feed intake (p = 0.034) and growth rate (p = 0.007) and impaired feed the conversion ratio (p = 0.027), but increased the mineral concentration in the fat-free DM of the tibia (p = 0.013) without influencing its breaking strength (p>0.10). The observed positive effect of the wide Ca:P ratio on bone mineralization may be attributed, at least in part, to the impaired feed conversion ratio, i.e. to the higher feed intake and consequently to the higher mineral intake per kg BW gain. The negative impact on animal performance of the wide dietary Ca:P ratio outweighs its potentially positive effect on bone mineralization, precluding its implementation under practical feeding conditions.

  19. Manufacturing Ethyl Acetate From Fermentation Ethanol

    Rohatgi, Naresh K.; Ingham, John D.


    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.

  20. Direct Oxidation of Ethene to Acetic Acid


    Direct oxidation of ethene to acetic acid over Pd-SiW12/SiO2 catalysts prepared by several methods was studied. A better method for reducing palladium composition of the catalysts was found. Acetic acid was obtained with selectivity of 82.7% and once-through space time yield (STY) of 257.4 g/h×L.

  1. Molecular structure, vibrational, UV, NMR, HOMO-LUMO, MEP, NLO, NBO analysis of 3,5 di tert butyl 4 hydroxy benzoic acid

    Mathammal, R.; Sangeetha, K.; Sangeetha, M.; Mekala, R.; Gadheeja, S.


    In this study, we report a combined experimental and theoretical study on molecular structure and vibrational spectra of 3,5 di tert butyl 4 hydroxy benzoic acid. The properties of title compound have been evaluated by quantum chemical calculation (DFT) using B3LYP functional and 6-31 + G (d, p) as basis set. IR Spectra has been recorded using Fourier transform infrared spectroscopy (FT-IR) in the region 4000-400 cm-1. The vibrational assignment of the calculated normal modes has been made on the basis set. The isotropic chemical shifts computed by 13C and 1H NMR (Nuclear Magnetic Resonance) analyses also show good agreement with experimental observations. The theoretical UV-Vis spectrum of the compound are used to study the visible absorption maxima (λ max). The structure activity relationship have been interpreted by mapping electrostatic potential surface (MEP), which is valuable information for the quality control of medicines and drug receptor interactions. The Mullikan charges, HOMO (Highest Occupied Molecular Orbital) - LUMO (Lowest Unoccupied Molecular Orbital) energy are analyzed. HOMO-LUMO energy gap and other related molecular properties are also calculated. The Natural Bond Orbital (NBO) analysis is carried out to investigate the various intra and inter molecular interactions of molecular system. The Non-linear optical properties such as dipole moment (μ), polarizability (αtot) and molecular first order hyperpolarizability (β) of the title compound are computed with B3LYP/6-31 + G (d,p) level of theory.

  2. De novo sequencing and transcriptome analysis of Pinellia ternata identify the candidate genes involved in the biosynthesis of benzoic acid and ephedrine

    Zhang Guang Hui


    Full Text Available Background: The medicinal herb, Pinellia ternate, is purported to be an anti-emetic with analgesic and sedative effects. Alkaloids are the main biologically active compounds in P. ternata, especially ephedrine that is a phenylpropylamino alkaloid specifically produced by Ephedra and Catha edulis. However, how ephedrine is synthesized in plants is uncertain. Only the phenylalanine ammonia lyase (PAL and relevant genes in this pathway have been characterized. Genomic information of P. ternata is also unavailable. Results: We analyzed the transcriptome of the tuber of P. ternata with the Illumina HiSeqTM 2000 sequencing platform. 66,813,052 high-quality reads were generated, and these reads were assembled de novo into 89,068 unigenes. Most known genes involved in benzoic acid biosynthesis were identified in the unigene dataset of P. ternate, and the expression patterns of some ephedrine biosynthesis-related genes were analyzed by reverse transcription quantitative real-time PCR (RT-qPCR. Also, 14,468 simple sequence repeats (SSRs were identified from 12,000 unigenes. Twenty primer pairs for SSRs were randomly selected for the validation of their amplification effect. Conclusion: RNA-seq data was firstly used to provide a comprehensive gene information on P. ternata at the transcriptional level. These data will advance molecular genetics in this valuable medicinal plant.

  3. Methods of Analysis by the U.S. Geological Survey Organic Geochemistry Research Group-Determination of Dissolved Isoxaflutole and Its Sequential Degradation Products, Diketonitrile and Benzoic Acid, in Water Using Solid-Phase Extraction and Liquid Chromatography/Tandem Mass Spectrometry

    Meyer, Michael T.; Lee, Edward A.; Scribner, Elisabeth A.


    An analytical method for the determination of isoxaflutole and its sequential degradation products, diketonitrile and a benzoic acid analogue, in filtered water with varying matrices was developed by the U.S. Geological Survey Organic Geochemistry Research Group in Lawrence, Kansas. Four different water-sample matrices fortified at 0.02 and 0.10 ug/L (micrograms per liter) are extracted by vacuum manifold solid-phase extraction and analyzed by liquid chromatography/tandem mass spectrometry using electrospray ionization in negative-ion mode with multiple-reaction monitoring (MRM). Analytical conditions for mass spectrometry detection are optimized, and quantitation is carried out using the following MRM molecular-hydrogen (precursor) ion and product (p) ion transition pairs: 357.9 (precursor), 78.9 (p), and 277.6 (p) for isoxaflutole and diketonitrile, and 267.0 (precursor), 159.0 (p), and 223.1 (p) for benzoic acid. 2,4-dichlorophenoxyacetic acid-d3 is used as the internal standard, and alachlor ethanesulfonic acid-d5 is used as the surrogate standard. Compound detection limits and reporting levels are calculated using U.S. Environmental Protection Agency procedures. The mean solid-phase extraction recovery values ranged from 104 to 108 percent with relative standard deviation percentages ranging from 4.0 to 10.6 percent. The combined mean percentage concentration normalized to the theoretical spiked concentration of four water matrices analyzed eight times at 0.02 and 0.10 ug/L (seven times for the reagent-water matrix at 0.02 ug/L) ranged from approximately 75 to 101 percent with relative standard deviation percentages ranging from approximately 3 to 26 percent for isoxaflutole, diketonitrile, and benzoic acid. The method detection limit (MDL) for isoxaflutole and diketonitrile is 0.003 ug/L and 0.004 ug/L for benzoic acid. Method reporting levels (MRLs) are 0.011, 0.010, and 0.012 ug/L for isoxaflutole, diketonitrile, and benzoic acid, respectively. On the basis

  4. Preparation, characterization and catalytic properties of MCM-48 supported tungstophosphoric acid mesoporous materials for green synthesis of benzoic acid

    Wu, Hai-Yan; Zhang, Xiao-Li; Chen, Xi; Chen, Ya; Zheng, Xiu-Cheng


    MCM-48 and tungstophosphoric acid (HPW) were prepared and applied for the synthesis of HPW/MCM-48 mesoporous materials. The characterization results showed that HPW/MCM-48 obtained retained the typical mesopore structure of MCM-48, and the textural parameters decreased with the increase loading of HPW. The catalytic oxidation results of benzyl alcohol and benzaldehyde with 30% H2O2 indicated that HPW/MCM-48 was an efficient catalyst for the green synthesis of benzoic acid. Furthermore, 35 wt% HPW/MCM-48 sample showed the highest activity under the reaction conditions.

  5. Inhibitors of HIV-1 maturation: Development of structure-activity relationship for C-28 amides based on C-3 benzoic acid-modified triterpenoids.

    Swidorski, Jacob J; Liu, Zheng; Sit, Sing-Yuen; Chen, Jie; Chen, Yan; Sin, Ny; Venables, Brian L; Parker, Dawn D; Nowicka-Sans, Beata; Terry, Brian J; Protack, Tricia; Rahematpura, Sandhya; Hanumegowda, Umesh; Jenkins, Susan; Krystal, Mark; Dicker, Ira B; Meanwell, Nicholas A; Regueiro-Ren, Alicia


    We have recently reported on the discovery of a C-3 benzoic acid (1) as a suitable replacement for the dimethyl succinate side chain of bevirimat (2), an HIV-1 maturation inhibitor that reached Phase II clinical trials before being discontinued. Recent SAR studies aimed at improving the antiviral properties of 2 have shown that the benzoic acid moiety conferred topographical constraint to the pharmacophore and was associated with a lower shift in potency in the presence of human serum albumin. In this manuscript, we describe efforts to improve the polymorphic coverage of the C-3 benzoic acid chemotype through modifications at the C-28 position of the triterpenoid core. The dimethylaminoethyl amides 17 and 23 delivered improved potency toward bevirimat-resistant viruses while increasing C24 in rat oral PK studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Predominant contribution of syntrophic acetate oxidation to thermophilic methane formation at high acetate concentrations.

    Hao, Li-Ping; Lü, Fan; He, Pin-Jing; Li, Lei; Shao, Li-Ming


    To quantify the contribution of syntrophic acetate oxidation to thermophilic anaerobic methanogenesis under the stressed condition induced by acidification, the methanogenic conversion process of 100 mmol/L acetate was monitored simultaneously by using isotopic tracing and selective inhibition techniques, supplemented with the analysis of unculturable microorganisms. Both quantitative methods demonstrated that, in the presence of aceticlastic and hydrogenotrophic methanogens, a large percentage of methane (up to 89%) was initially derived from CO(2) reduction, indicating the predominant contribution of the syntrophic acetate oxidation pathway to acetate degradation at high acid concentrations. A temporal decrease of the fraction of hydrogenotrophic methanogenesis from more than 60% to less than 40% reflected the gradual prevalence of the aceticlastic methanogenesis pathway along with the reduction of acetate. This apparent discrimination of acetate methanization pathways highlighted the importance of the syntrophic acetate-oxidizing bacteria to initialize methanogenesis from high organic loadings.

  7. 苯甲酸釜残液全部回收的工艺开发利用%Development on the Technique of Total Recovery of Benzoic Acid Residue

    徐姣; 何杰; 张卫江; 杨焘; 焦书军; 胡雪东


    Benzoic acid residue is solid waste produced from the production of benzoic acid by oxidizing toluene. Because it contained important chemical raw materials such as benzoic acid, benzyl benzoate and fluorenone, it is necessary to recover them from the residue. In this work the technique featured with high efficiency evaporation and vacuum distillation was developed to obtain total recovery and utilization of the benzoic acid residue. By con-trolling the operation temperature at 260℃ and the pressure of 16 kPa in the rising and falling film evaporators, heavy components separated efficiently from the residue can be polymerized and the light components consisting of 63% of the residue entered into a benzoic acid vacuum distillation column. Keeping the temperature of polymeriza-tion at (280±10)℃, coumarone resin was produccd after adjusting the softening point according to the market re-quirements. Vacuum distillation was operated under the following conditions: top temperature at 186℃, top pres-sure of 16 kPa, bottom temperature at 240 250℃, reflux ratio being 3:1. Benzoic acid of 98% purity was distilled out from the column as a side stream and the bottom product was crude benzyl benzoate. By the developed tech-nique, the benzoic acid residue was splitted into three products, benzoic acid, crude benzyl benzoate and coumarone resin without any surplus waste.

  8. Desvenlafaxinium chloranilate ethyl acetate solvate

    Manpreet Kaur


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

  9. Fragrance material review on ethyl phenyl carbinyl acetate.

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


    A toxicologic and dermatologic review of ethyl phenyl carbinyl acetate when used as a fragrance ingredient is presented. Ethyl phenyl carbinyl acetate is a member of the fragrance structural group Aryl Alkyl Alcohol Simple Acid Esters (AAASAE). The AAASAE fragrance ingredients are prepared by reacting an aryl alkyl alcohol with a simple carboxylic acid (a chain of 1-4 carbons) to generate formate, acetate, propionate, butyrate, isobutyrate and carbonate esters. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for ethyl phenyl carbinyl acetate were evaluated, then summarized, and includes: physical properties; acute toxicity; skin irritation; and skin sensitization data. A safety assessment of the entire AAASAE will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all AAASAE in fragrances. Copyright © 2012 Elsevier Ltd. All rights reserved.

  10. Fragrance material review on 2,4-dimethylbenzyl acetate.

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


    A toxicologic and dermatologic review of 2,4-dimethylbenzyl acetate when used as a fragrance ingredient is presented. 2,4-Dimethylbenzyl 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, iso-butyrate 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 2,4-dimethylbenzyl acetate were evaluated, then summarized, and includes: physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, and skin sensitization data. A safety assessment of the entire AAASAE will be published simultaneously with this document. Please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all AAASAE in fragrances. Copyright © 2012 Elsevier Ltd. All rights reserved.

  11. Intramolecular carbon isotope distribution of acetic acid in vinegar.

    Hattori, Ryota; Yamada, Keita; Kikuchi, Makiko; Hirano, Satoshi; Yoshida, Naohiro


    Compound-specific carbon isotope analysis of acetic acid is useful for origin discrimination and quality control of vinegar. Intramolecular carbon isotope distributions, which are each carbon isotope ratios of the methyl and carboxyl carbons in the acetic acid molecule, may be required to obtain more detailed information to discriminate such origin. In this study, improved gas chromatography-pyrolysis-gas chromatography-combustion-isotope ratio mass spectrometry (GC-Py-GC-C-IRMS) combined with headspace solid-phase microextraction (HS-SPME) was used to measure the intramolecular carbon isotope distributions of acetic acid in 14 Japanese vinegars. The results demonstrated that the methyl carbons of acetic acid molecules in vinegars produced from plants were mostly isotopically depleted in (13)C relative to the carboxyl carbon. Moreover, isotopic differences (δ(13)C(carboxyl) - δ(13)C(methyl)) had a wide range from -0.3 to 18.2‰, and these values differed among botanical origins, C3, C4, and CAM plants.

  12. Atmospheric geochemistry of formic and acetic acids at a mid-latitude temperate site

    Talbot, R. W.; Beecher, K. M.; Harriss, R. C.; Cofer, R. W., III


    Tropospheric concentrations of formic and acetic acids in the gas, the aerosol, and the rainwater phases were determined in samples collected 1-2 m above ground level at an open field site in eastern Virginia. These acids were found to occur principally (98 percent or above) in the gas phase, with a marked annual seasonality, averaging 1890 ppt for formate and 1310 ppt for acetate during the growing season, as compared to 695 ppt and 700 ppt, respectively, over the nongrowing season. The data support the hypothesis that biogenic emissions from vegatation are important sources of atmospheric formic and acetic acid during the local growing season. The same time trends were observed for precipitation, although with less defined seasonality. The relative increase of the acetic acid/formic acid ratio during the nongrowing season points to the dominance of anthropogenic inputs of acetic acid from motor vehicles and biomass combustion in the wintertime.

  13. Experimental investigations on heat content of supercooled sodium acetate trihydrate by a simple heat loss method

    Kong, Weiqiang; Dannemand, Mark; Johansen, Jakob Berg


    Sodium acetate trihydrate is a phase change material that can be used for long term heat storage in solar heating systems because of its relatively high heat of fusion, a melting temperature of 58 °C and its ability to supercool stable. In practical applications sodium acetate trihydrate tend...... to suffer from phase separation which is the phenomenon where anhydrous salt settles to the bottom over time. This happens especially in supercooled state. The heat released from the crystallization of supercooled sodium acetate trihydrate with phase separation will be lower than the heat released from...... sodium acetate trihydrate without phase separation. Possible ways of avoiding or reducing the problem of phase separation were investigated. A wide variety of composites of sodium acetate trihydrate with additives including extra water, thickening agents, solid and liquid polymers have been...

  14. Synthesis, crystal structures and spectral characterization of imidazo[1,2-a]pyrimidin-2-yl-acetic acid and related analog with imidazo[2,1-b]thiazole ring

    Dylong, Agnieszka; Goldeman, Waldemar; Sowa, Michał; Ślepokura, Katarzyna; Drożdżewski, Piotr; Matczak-Jon, Ewa


    Imidazo[1,2-a]pyrimidin-2-yl-acetic acid (HIPM-2-ac) and its analog with imidazo[2,1-b]thiazole ring (HITZ-6-ac) were synthesized and structurally characterized by single-crystal X-ray diffraction corroborated with calculations of Hirshfeld surfaces, which provided detailed insight into intermolecular interactions constituting both crystals. The IR and Raman spectra of HIPM-2-ac and HITZ-6-ac were recorded and interpreted in details with the aid of Density Functional Theory (DFT) calculations and Potential Energy Distribution (PED) analysis of computed normal vibrations. Special attention was paid on hydroxyl and methylene groups involved in hydrogen bonds, which vibrations were monitored by H/D substitution. Recrystallization of parent compounds from deuterium oxide (D2O) solutions resulted in deuteration of their carboxylic OH groups and almost complete deuteration of HIPM-2-ac methylene group. The latter phenomenon is clearly reflected in the vibrational spectra and confirmed by 1H NMR experiments in solution.

  15. Inhibition of ice growth and recrystallization by zirconium acetate and zirconium acetate hydroxide.

    Mizrahy, Ortal; Bar-Dolev, Maya; Guy, Shlomit; Braslavsky, Ido


    The control over ice crystal growth, melting, and shaping is important in a variety of fields, including cell and food preservation and ice templating for the production of composite materials. Control over ice growth remains a challenge in industry, and the demand for new cryoprotectants is high. Naturally occurring cryoprotectants, such as antifreeze proteins (AFPs), present one solution for modulating ice crystal growth; however, the production of AFPs is expensive and inefficient. These obstacles can be overcome by identifying synthetic substitutes with similar AFP properties. Zirconium acetate (ZRA) was recently found to induce the formation of hexagonal cavities in materials prepared by ice templating. Here, we continue this line of study and examine the effects of ZRA and a related compound, zirconium acetate hydroxide (ZRAH), on ice growth, shaping, and recrystallization. We found that the growth rate of ice crystals was significantly reduced in the presence of ZRA and ZRAH, and that solutions containing these compounds display a small degree of thermal hysteresis, depending on the solution pH. The compounds were found to inhibit recrystallization in a manner similar to that observed in the presence of AFPs. The favorable properties of ZRA and ZRAH suggest tremendous potential utility in industrial applications.

  16. Inhibition of ice growth and recrystallization by zirconium acetate and zirconium acetate hydroxide.

    Ortal Mizrahy

    Full Text Available The control over ice crystal growth, melting, and shaping is important in a variety of fields, including cell and food preservation and ice templating for the production of composite materials. Control over ice growth remains a challenge in industry, and the demand for new cryoprotectants is high. Naturally occurring cryoprotectants, such as antifreeze proteins (AFPs, present one solution for modulating ice crystal growth; however, the production of AFPs is expensive and inefficient. These obstacles can be overcome by identifying synthetic substitutes with similar AFP properties. Zirconium acetate (ZRA was recently found to induce the formation of hexagonal cavities in materials prepared by ice templating. Here, we continue this line of study and examine the effects of ZRA and a related compound, zirconium acetate hydroxide (ZRAH, on ice growth, shaping, and recrystallization. We found that the growth rate of ice crystals was significantly reduced in the presence of ZRA and ZRAH, and that solutions containing these compounds display a small degree of thermal hysteresis, depending on the solution pH. The compounds were found to inhibit recrystallization in a manner similar to that observed in the presence of AFPs. The favorable properties of ZRA and ZRAH suggest tremendous potential utility in industrial applications.

  17. [Advances in functional genomics studies underlying acetic acid tolerance of Saccharomyces cerevisiae].

    Zhao, Xinqing; Zhang, Mingming; Xu, Guihong; Xu, Jianren; Bai, Fengwu


    Industrial microorganisms are subject to various stress conditions, including products and substrates inhibitions. Therefore, improvement of stress tolerance is of great importance for industrial microbial production. Acetic acid is one of the major inhibitors in the cellulosic hydrolysates, which affects seriously on cell growth and metabolism of Saccharomyces cerevisiae. Studies on the molecular mechanisms underlying adaptive response and tolerance of acetic acid of S. cerevisiae benefit breeding of robust strains of industrial yeast for more efficient production. In recent years, more insights into the molecular mechanisms underlying acetic acid tolerance have been revealed through analysis of global gene expression and metabolomics analysis, as well as phenomics analysis by single gene deletion libraries. Novel genes related to response to acetic acid and improvement of acetic acid tolerance have been identified, and novel strains with improved acetic acid tolerance were constructed by modifying key genes. Metal ions including potassium and zinc play important roles in acetic acid tolerance in S. cerevisiae, and the effect of zinc was first discovered in our previous studies on flocculating yeast. Genes involved in cell wall remodeling, membrane transport, energy metabolism, amino acid biosynthesis and transport, as well as global transcription regulation were discussed. Exploration and modification of the molecular mechanisms of yeast acetic acid tolerance will be done further on levels such as post-translational modifications and synthetic biology and engineering; and the knowledge obtained will pave the way for breeding robust strains for more efficient bioconversion of cellulosic materials to produce biofuels and bio-based chemicals.

  18. Effects of culture conditions on acetic acid production by bacteria ...



    Nov 30, 2015 ... Keywords: Acetic acid bacteria, acetic acid production, Cocoa fermentation, culture conditions. INTRODUCTION ... assessed by acid forming colony characterized by a ... production capacity to ethanol, lactic acid, acetic acid.

  19. Luminescence properties of uranyl-acetate species

    Brinkmann, Hannes; Moll, Henry [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Inst. of Resource Ecology; Stumpf, Thorsten [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Biogeochemistry


    Time-resolved laser-induced fluorescence spectroscopy (TRLFS) was applied to characterize uranium(VI)- acetate species based on their luminescence properties. In contrast to previous interpretations, no indications were detected for the existence of the 1: 3 complex.

  20. Effect of fluorogesterone acetate impregnated intravaginal sponges ...

    Effect of fluorogesterone acetate impregnated intravaginal sponges 1 on vaginal bacterial flora of ewes. ... The bacterial flora of the vagina of ten ewes was determined at sponge removal and two days later before insertion of ... Article Metrics.

  1. Physiological responses of insects to microbial fermentation products: Insights from the interactions between Drosophila and acetic acid.

    Kim, Geonho; Huang, Jia Hsin; McMullen, John G; Newell, Peter D; Douglas, Angela E


    Acetic acid is a fermentation product of many microorganisms, including some that inhabit the food and guts of Drosophila. Here, we investigated the effect of dietary acetic acid on oviposition and larval performance of Drosophila. At all concentrations tested (0.34-3.4%), acetic acid promoted egg deposition by mated females in no-choice assays; and females preferred to oviposit on diet with acetic acid relative to acetic acid-free diet. However, acetic acid depressed larval performance, particularly extending the development time of both larvae colonized with the bacterium Acetobacter pomorum and axenic (microbe-free) larvae. The larvae may incur an energetic cost associated with dissipating the high acid load on acetic acid-supplemented diets. This effect was compounded by suppressed population growth of A. pomorum on the 3.4% acetic acid diet, such that the gnotobiotic Drosophila on this diet displayed traits characteristic of axenic Drosophila, specifically reduced developmental rate and elevated lipid content. It is concluded that acetic acid is deleterious to larval Drosophila, and hypothesized that acetic acid may function as a reliable cue for females to oviposit in substrates bearing microbial communities that promote larval nutrition. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Greener Friedel-Crafts Acylation using Microwave-enhanced reactivity of Bismuth Triflate in the Friedel-Crafts Benzoylation of Aromatic Compounds with Benzoic Anhydride

    Tran, Phuong Hoang; Nguyen, hai Truong; Hansen, Poul Erik


    An efficient and facile bismuth trifluoromethanesulfonate-catalyzed benzoylation of aromatic compounds using benzoic anhydride under solvent-free microwave irradiation has been developed. The microwave-assisted Friedel-Crafts benzoylation results in good yields within short reaction times. Bismut...

  3. Optical dephasing by uncorrelated phonon scattering to librations. An optical and picosecond photon echo study of a photosite of pentacene in benzoic acid

    Molenkamp, L.W.; Wiersma, Douwe A.


    We report results of an optical and picosecond photon echo study on the zero-phonon line of photosite I of pentacene in benzoic acid. The results show that optical dephasing in this system proceeds via uncorrelated phonon scattering processes from the ground and optically excited state to singly exc

  4. Benzoic and sorbic acid in soft drink, milk, ketchup sauce and bread by dispersive liquid-liquid microextraction coupled with HPLC.

    Javanmardi, Fardin; Nemati, Mahboob; Ansarin, Masood; Arefhosseini, Seyyed Rafie


    Benzoic acid and sorbic acid are widely used for food preservation. These preservatives are generally recognised as safe. The aim of this study was to determine the level of benzoic and sorbic acid in food samples that are usually consumed in Iran. Therefore, 54 samples, including 15 soft drinks, 15 ultra-high-temperature milk, 15 ketchup sauces and 9 bread samples, were analysed by high-performance liquid chromatography with UV detection. Benzoic acid was detected in 50 (92.5%) of the samples ranging from 3.5 to 1520 µg mL⁻¹, while sorbic acid was detected in 29 (50.3%) samples in a range of 0.8 and 2305 µg mL⁻¹. Limits of detection and limits of quantification for benzoate were found to be 0.1 and 0.5 µg mL⁻¹, respectively, and for sorbate 0.08 and 0.3 µg mL⁻¹, respectively. The results showed that benzoic acid and sorbic acid widely occur in food products in Iran.

  5. A limited LCA of bio-adipic acid: Manufacturing the nylon-6,6 precursor adipic acid using the benzoic acid degradation pathway from different feedstocks

    Duuren, van J.B.J.H.; Brehmer, B.; Mars, A.E.; Eggink, G.; Martins Dos Santos, V.A.P.; Sanders, J.P.M.


    A limited life cycle assessment (LCA) was performed on a combined biological and chemical process for the production of adipic acid, which was compared to the traditional petrochemical process. The LCA comprises the biological conversion of the aromatic feedstocks benzoic acid, impure aromatics, tol

  6. Acetate intolerance and an inhibitor of acetate utilization in hemodialysis patients

    Egan, J.D.; Wells, I.C.


    Diminished ability to utilize acetate (acetate intolerance) developed in a male patient on chronic hemodialysis after five years of maintenance dialysis. His ability to utilize lactate was also subnormal. We studied acetate metabolism in vitro by isolating lymphocytes from the patient's blood before dialysis and measuring their ability to convert (1-/sub 14/C)acetate to /sub 14/CO2. His cells metabolized acetate only 35% as well as did lymphocytes from normal adults. The inhibition appeared when the patient's lymphocytes were cultured, and the ability of normal lymphocytes to oxidize acetate decreased after they had been incubated in the patient's plasma. We conclude that an inhibitor of acetate utilization is present in the plasma and in (or on) the cells of this acetate-intolerant patient. The diminished ability of the patient to utilize lactate and the presence of normal concentrations of pyruvate, citrate, and ketone bodies in his blood suggest that the inhibitor functions at the cell surface to impede the entrance of acetate into the cells. The inhibitor appears to be dialyzable; its nature is unknown. Its accumulation in the plasma of chronic hemodialysis patients has not been thus far associated with any deleterious effects other than prolonging the metabolic acidosis of such patients.


    Peter Patráš


    Full Text Available Twelve crossbred gilts (initial BW 29.9 ± 1.7 kg were used for evalution of the effect of benzoic acid and the fiber in diets on the urinary pH, ammonia of the slurry and redistribution of nitrogen between faeces and urinary. For the pigs there were randomly allotted three dietary treatments according to a replicated 3 x 3 Latin square design. The dietary treatments included: Diet control (C was supplemented with isoleucine, lysine, methionine, threonine, tryptophan, and valine to fulfill the requirements of ideal amino acid profile; diet (BA was similar to diet (C with benzoic acid; diet (BABP was similar to diet (C with benzoic acid and 150 dried beet pulp, all of them with equal ME content (13.3 MJ/kg and supplemented with rapeseed oil. The pigs were housed in metabolic cages and fed with two equal doses at 7 a.m. and 5 p.m. at a daily rate of 90 g. kg0.75. Water was offered ad libitum. Each experimental period consisted of a 6-d adaptation phase and was followed by a 4-d collection phase. During collection phase the feces and the urine (using bladder catheters were collected. The experimental data were subjected to ANOVA and when significant value for treatment effect (P<0.05 was observed, the differences between means were assessed with using Fisher's LSD procedure. Nitrogen and dry matter intake was not significantly affected by any of the feed additives. Nitrogen and dry matter intake was not significantly affected by any of supplemented additives. Fecal N excretion was increased (P <0.02 in pigs fed with added fiber (BABP, in the same group there was detected the reduction of urinary N excretion (P< 0.04. There was significant decrease of urine pH, concretely by three quarters of pH point in the both experimental groups fed with bonzoic acid diets, regardless of the fiber content in the diet. The coefficients of excretion determination between hippuric acid and urine pH were R2 = 0.298. The same decrease of

  8. Influence of bleaching on flavor of 34% whey protein concentrate and residual benzoic acid concentration in dried whey proteins.

    Listiyani, M A D; Campbell, R E; Miracle, R E; Dean, L O; Drake, M A


    Previous studies have shown that bleaching negatively affects the flavor of 70% whey protein concentrate (WPC70), but bleaching effects on lower-protein products have not been established. Benzoyl peroxide (BP), a whey bleaching agent, degrades to benzoic acid (BA) and may elevate BA concentrations in dried whey products. No legal limit exists in the United States for BP use in whey, but international concerns exist. The objectives of this study were to determine the effect of hydrogen peroxide (HP) or BP bleaching on the flavor of 34% WPC (WPC34) and to evaluate residual BA in commercial and experimental WPC bleached with and without BP. Cheddar whey was manufactured in duplicate. Pasteurized fat-separated whey was subjected to hot bleaching with either HP at 500 mg/kg, BP at 50 or 100 mg/kg, or no bleach. Whey was ultrafiltered and spray dried into WPC34. Color [L*(lightness), a* (red-green), and b* (yellow-blue)] measurements and norbixin extractions were conducted to compare bleaching efficacy. Descriptive sensory and instrumental volatile analyses were used to evaluate bleaching effects on flavor. Benzoic acid was extracted from experimental and commercial WPC34 and 80% WPC (WPC80) and quantified by HPLC. The b* value and norbixin concentration of BP-bleached WPC34 were lower than HP-bleached and control WPC34. Hydrogen peroxide-bleached WPC34 displayed higher cardboard flavor and had higher volatile lipid oxidation products than BP-bleached or control WPC34. Benzoyl peroxide-bleached WPC34 had higher BA concentrations than unbleached and HP-bleached WPC34 and BA concentrations were also higher in BP-bleached WPC80 compared with unbleached and HP-bleached WPC80, with smaller differences than those observed in WPC34. Benzoic acid extraction from permeate showed that WPC80 permeate contained more BA than did WPC34 permeate. Benzoyl peroxide is more effective in color removal of whey and results in fewer flavor side effects compared with HP and residual BA is

  9. ELDOR study of methyl radical production at 77 K in irradiated acetate powders as a function of metal cation

    Mottley, C.; Kispert, L.D.; Wang, P.S.


    Paramagnetic relaxation characteristics of the methyl radical at 77/sup 0/K in irradiated powders of magnesium acetate tetrahydrate, potassium acetate, sodium acetate trihydrate, calcium acetate monohydrate, zinc acetate dihydrate, and lithium acetate dihydrate were measured by power saturation techniques and ELDOR spectroscopy. For magnesium acetate tetrahydrate the characteristic relaxation time (T/sub 1e/T/sub 2e/)/sup /sup 1///sub 2// for the methyl radical is relatively constant with radiation dose at low doses and decreases at higher doses. For sodium acetate trihydrate the relaxation time decreases even at low dose. ELDOR measurements of the ratio of the intermolecular relaxation time (T/sub po/) between methyl radicals to the spin--lattice relaxation time (T/sub 1e/) shows an increase from 0.05 for magnesium acetate trihydrate to greater than 1 for sodium acetate trihydrate. In addition, the field-swept ELDOR reduction factors for the m/sub I/ = -/sup 3///sub 2/ ESR line of the methyl radical utilizing 100-kHz field modulation decreases from 73 percent in irradiated magnesium acetate tetrahydrate to 2 percent in irradiated calcium acetate monohydrate. These features suggest that the radiation produced methyl radicals are trapped in clusters in acetates at low dose forming a nonuniform spatial distribution that is dependent on the cation and decreases in the approximate order Mg/sup 2 +/ greater than K/sup +/ greater than Na/sup +/ greater than Ca/sup 2 +/. No estimate of the amount of clustering in the irradiated Zn/sup 2 +/ and Li/sup +/ salts could be made due to the long T/sub 1e/'s exhibited by the methyl radical.




    Full Text Available We have systematically followed the efficiency of acetic fermentation, by cultivating 14 Acetobacter strains (previously isolated and identified, within a medium obtain out of ethanol and acetic acid, in various proportions, and utilizing corn extract (CE as a nutrient. The purpose of the research was to determine the resistance of the studied Acetobacter strains related to the composition of the cultivation media (acidity and alcohol content of the medium, as well as following the dynamics of the acetic fermentation by calculating the practical yield. The research led to optimal variants which may be industrially exploited in order to obtain vinegar.

  11. Transcript and metabolite alterations increase ganoderic acid content in Ganoderma lucidum using acetic acid as an inducer.

    Ren, Ang; Li, Xiong-Biao; Miao, Zhi-Gang; Shi, Liang; Jaing, Ai-Liang; Zhao, Ming-Wen


    Acetic acid at 5-8 mM increased ganoderic acid (GA) accumulation in Ganoderma lucidum. After optimization by the response surface methodology, the GA content reached 5.5/100 mg dry weight, an increase of 105% compared with the control. The intermediate metabolites of GA biosynthesis, lanosterol and squalene also increased to 47 and 15.8 μg/g dry weight, respectively, in response to acetic acid. Acetic acid significantly induced transcription levels of sqs, lano, hmgs and cyp51 in the GA biosynthesis pathway. An acetic acid-unregulated acetyl coenzyme A synthase (acs) gene was selected from ten candidate homologous acs genes. The results indicate that acetic acid alters the expression of genes related to acetic acid assimilation and increases GA biosynthesis and the metabolic levels of lanosterol, squalene and GA-a, thereby resulting in GA accumulation.

  12. Migration of 2-butoxyethyl acetate from polycarbonate infant feeding bottles

    Petersen, Jens Højslev; Lund, K.H.


    An enforcement campaign was carried out to assess the migration of 2-butoxyethyl acetate (2-BEA) from polycarbonate infant feeding bottles intended for repeated use. Migration was measured by three successive migration tests into two of the European Union official food simulants: distilled water...... and 3% acetic acid testing at 40degrees C for 10 days. The Danish Veterinary and Food Administration (DVFA) has assessed that a migration above 0.33 mg for 2-BEA and a group of eight related substances kg(-1) foodstuff from plastics articles used exclusively for infants is unacceptable. Migration of 2......-BEA was found from eight of 12 bottles. However, migration above the target value of 0.33 mg kg(-1) was not observed in the third decisive test from any of the 12 different brands of polycarbonate feeding bottles. A migration of between 0.05 and 0.26 mg kg(-1) from seven of 12 bottles was measured...

  13. 1-Methylpyrrolidine-2-acetic Acid is not a Precursor of Tropane Alkaloids.

    Huang, M N; Abraham, T W; Kim, S H; Leete, E


    1-Methylpyrrolidine-2-acetic acid and related compounds were studied as precursors in the biosynthesis of the tropane alkaloids in Erythroxylum coca and Datura innoxia. (R,S)-[1',2-(13)C2,2-(14)C,(15)N]-1-methylpyrrolidine-2- acid, (R,S)-[1',2'-(13)C2,1'-(14)C]-1-methylpyrrolidine-2-acetic acid, (R,S) [1',2'-(13)C2,1-(14)C]-1-methylpyrrolidine-2-acetate, and (R,S)-+2'-(14)C] methylpyrrolidine-2-acetic acid N-acetylcysteamine thioester were synthesized an intact plants by leaf-planting or hydroponic-feeding. Specific incorporation of compounds into ( - )-hyoscyamine, ( - )-scopolamine, ( - )-cocaine and the biosynthetically related cuscohygrine were very low. These results indicate that 1-methylpyrrolidine acid is not an efficient precursor of tropane alkaloids.

  14. Scaleable production and separation of fermentation-derived acetic acid. Final CRADA report.

    Snyder, S. W.; Energy Systems


    Half of U.S. acetic acid production is used in manufacturing vinyl acetate monomer (VAM) and is economical only in very large production plants. Nearly 80% of the VAM is produced by methanol carbonylation, which requires high temperatures and exotic construction materials and is energy intensive. Fermentation-derived acetic acid production allows for small-scale production at low temperatures, significantly reducing the energy requirement of the process. The goal of the project is to develop a scaleable production and separation process for fermentation-derived acetic acid. Synthesis gas (syngas) will be fermented to acetic acid, and the fermentation broth will be continuously neutralized with ammonia. The acetic acid product will be recovered from the ammonium acid broth using vapor-based membrane separation technology. The process is summarized in Figure 1. The two technical challenges to success are selecting and developing (1) microbial strains that efficiently ferment syngas to acetic acid in high salt environments and (2) membranes that efficiently separate ammonia from the acetic acid/water mixture and are stable at high enough temperature to facilitate high thermal cracking of the ammonium acetate salt. Fermentation - Microbial strains were procured from a variety of public culture collections (Table 1). Strains were incubated and grown in the presence of the ammonium acetate product and the fastest growing cultures were selected and incubated at higher product concentrations. An example of the performance of a selected culture is shown in Figure 2. Separations - Several membranes were considered. Testing was performed on a new product line produced by Sulzer Chemtech (Germany). These are tubular ceramic membranes with weak acid functionality (see Figure 3). The following results were observed: (1) The membranes were relatively fragile in a laboratory setting; (2) Thermally stable {at} 130 C in hot organic acids; (3) Acetic acid rejection > 99%; and (4

  15. Synthesis, characterization and biocidal activity of new organotin complexes of 2-(3-oxocyclohex-1-enyl)benzoic acid.

    Vieira, Flaviana T; de Lima, Geraldo M; Maia, José R da S; Speziali, Nivaldo L; Ardisson, José D; Rodrigues, Leonardo; Correa, Ary; Romero, Oscar B


    The reaction of 1,3-cyclohexadione with 2-aminobenzoic acid has produced the 2-(3-oxocyclohex-1-enyl)benzoic acid (HOBz). Subsequent reactions of the ligand with organotin chlorides led to [Me(2)Sn(OBz)O](2) (1), [Bu(2)Sn(OBz)O](2) (2), [Ph(2)Sn(OBz)O](2) (3), [Me(3)Sn(OBz)] (4), [Bu(3)Sn(OBz)] (5) and [Ph(3)Sn(OBz)] (6). All complexes have been fully characterized. In addition the structure of complexes (2) and (4) have been authenticated by X-ray crystallography. The biological activity of all derivatives has been screened against Cryptococcus neoformans and Candida albicans. In addition we have performed toxicological testes employing human kidney cell. The complexes (3), (5) and (6) displayed the best values of inhibition of the fungus growing, superior to ketoconazole. Compound (5) presented promising results in view of the antifungal and cytotoxicity assays.

  16. On the Formation of Benzoic Acid and Higher Order Benzene Carboxylic Acids in Interstellar Model Ices grains

    McMurtry, Brandon M.; Saito, Sean E. J.; Turner, Andrew M.; Chakravarty, Harish K.; Kaiser, Ralf I.


    With a binary ice mixture of benzene (C6H6) and carbon dioxide (CO2) at 10 K under contamination-free ultrahigh vacuum conditions, the formation of benzene carboxylic acids in interstellar ice grains was studied. Fourier transform infrared spectroscopy was used to probe for the formation of new species during the chemical processing of the ice mixture and during the following temperature-programmed desorption. Newly formed benzene carboxylic acid species, i.e., benzoic acid, as well as meta- and para-benzene dicarboxylic acid, were assigned using newly emerging bands in the infrared spectrum; a reaction mechanism, along with rate constants, was proposed utilizing the kinetic fitting of the coupled differential equations.

  17. Aqueous high-temperature chemistry of carbo- and heterocycles. 2. Monosubstituted benzenes: Benzyl alcohol, benzaldehyde, and benzoic acid

    Katritzky, A.R.; Balasubramanian, M. (Univ. of Florida, Gainesville (USA)); Siskin, M. (Exxon Research and Engineering Company, Annandale, NJ (USA))

    Benzyl alcohol is not very reactive under aquathermolysis conditions, except in the presence of acids. Almost all the products are formed by ionic pathways. It undergoes reversible dehydration to dibenzyl ether, disproportionation to benzaldehyde and toluene, and self-benzylation to 2- and 4-benzylbenzyl alcohols. These benzylbenzyl alcohols can react further, but major amounts of polyalkylated products are formed by the mono- and dibenzylation of toluene to give a range of dibenzyltoluenes and (benzylbenzyl)toluenes. Small amounts of diphenylmethane and bibenzyl and their benzylated products are also formed. The behavior of benzyl alcohol in the presence of phenol, pyridine, benzaldehyde, and benzene is also studied and rationalized. Benzaldehyde is much less reactive, except in the presence of formaldehyde, and especially in the presence of formic acid, when considerable formation of benzyl alcohol occurs and siphoning into this reaction matrix is observed. Benzoic acid is still less reactive.

  18. Synthesis and Properties of Dimesogenic Compounds Containing Cholesterol and 4-(trans-4-n-Alkylcyclohexyl)- benzoic Acid Moieties

    YU, Haibo; HOU, Ruibin; CHEN, Tie; YIN, Bingzhu; MUHAMMAD, Jamil; JEON, Youngja


    A series of novel dimesogenic compounds containing cholesterol and 4-(trans-4-n-alkylcyclohexyl)benzoic acid moieties were synthesized. The two mesogenic units of these compounds are linked with ω-oxyalkanoyl spacers of varying lengths. The chemical structure and mesomorphic properties of this series of compounds were characterized by FT-IR, MS, 1H NMR, polarizing optical microscopy (POM) and DSC techniques. The average viscosity and helical twisting power (HTP) in host liquid crystals of selected dimesogenic compounds were also measured. It was found that most of the present novel series of compounds exhibited only cholesteric mesophase with lower phase transition temperatures, and the average viscosity and HTP of selected compounds were similar to or superior to cholesteryl nonylate.

  19. In situ N{sub 2}O emissions are not mitigated by hippuric and benzoic acids under denitrifying conditions

    Krol, D.J., E-mail:; Forrestal, P.J.; Lanigan, G.J.; Richards, K.G.


    Ruminant urine patches deposited onto pasture are a significant source of greenhouse gas nitrous oxide (N{sub 2}O) from livestock agriculture. Increasing food demand is predicted to lead to a rise in ruminant numbers globally, which, in turn will result in elevated levels of urine-derived N{sub 2}O. Therefore mitigation strategies are urgently needed. Urine contains hippuric acid and together with one of its breakdown products, benzoic acid, has previously been linked to mitigating N{sub 2}O emissions from urine patches in laboratory studies. However, the sole field study to date found no effect of hippuric and benzoic acid concentration on N{sub 2}O emissions. Therefore the aim of this study was to investigate the in situ effect of these urine constituents on N{sub 2}O emissions under conditions conducive to denitrification losses. Unadulterated bovine urine (0 mM of hippuric acid, U) was applied, as well as urine amended with either benzoic acid (96 mM, U + BA) or varying rates of hippuric acid (8 and 82 mM, U + HA1, U + HA2). Soil inorganic nitrogen (N) and N{sub 2}O fluxes were monitored over a 66 day period. Urine application resulted in elevated N{sub 2}O flux for 44 days. The largest N{sub 2}O fluxes accounting for between 13% (U) and 26% (U + HA1) of total loss were observed on the day of urine application. Between 0.9 and 1.3% of urine-N was lost as N{sub 2}O. Cumulative N{sub 2}O loss from the control was 0.3 kg N{sub 2}O–N ha{sup −1} compared with 11, 9, 12, and 10 kg N{sub 2}O–N ha{sup −1} for the U, U + HA1, U + HA2, and U + BA treatments, respectively. Incremental increases in urine HA or increase in BA concentrations had no effect on N{sub 2}O emissions. Although simulation of dietary manipulation to reduce N{sub 2}O emissions through altering individual urine constituents appears to have no effect, there may be other manipulations such as reducing N content or inclusion of synthetic inhibitory products that warrant further investigation

  20. Experimental investigation of benzoic acid diffusion coefficient in γ-Al2O3 nanofluids at different temperatures

    Manouchehrian Fard, Manouchehr; Beiki, Hossein


    An experimental study was performed to measure benzoic acid diffusion coefficient in water-based γ-Al2O3 nanofluids at different temperatures. Measurements were carried out at 15, 20 and 25 °C. γ-Al2O3 nanoparticles with an average diameter of 10-20 nm were added into de-ionized water as the based fluid. Nanoparticles volume fractions used in the based fluid were 0.025, 0.05, 0.1, 0.2, 0.4 and 0.8 %. Measurements showed that the diffusion coefficients was not changed with nanoparticles concentration and no enhancement was found. Dependence of diffusion coefficients on nanoparticles concentration followed the same trend in all temperatures investigated in this work. Nano stirring and nano-obstacles could be regarded as two reasons for mass diffusivity changes in nanofluids.

  1. Point mutation of H3/H4 histones affects acetic acid tolerance in Saccharomyces cerevisiae.

    Liu, Xiangyong; Zhang, Xiaohua; Zhang, Zhaojie


    The molecular mechanism of acetic acid tolerance in yeast remains unclear despite of its importance for efficient cellulosic ethanol production. In this study, we examined the effects of histone H3/H4 point mutations on yeast acetic acid tolerance by comprehensively screening a histone H3/H4 mutant library. A total of 24 histone H3/H4 mutants (six acetic acid resistant and 18 sensitive) were identified. Compared to the wild-type strain, the histone acetic acid-resistant mutants exhibited improved ethanol fermentation performance under acetic acid stress. Genome-wide transcriptome analysis revealed that changes in the gene expression in the acetic acid-resistant mutants H3 K37A and H4 K16Q were mainly related to energy production, antioxidative stress. Our results provide novel insights into yeast acetic acid tolerance on the basis of histone, and suggest a novel approach to improve ethanol production by altering the histone H3/H4 sequences.

  2. A laboratory study of the effect of acetic acid vapor on atmospheric copper corrosion

    Lopez-Delgado, A.; Cano, E.; Bastidas, J.M.; Lopez, F.A. [Centro Nacional de Investigaciones Metalurgicas, Madrid (Spain)


    A study was made of the copper corrosion rate and corrosion products originated by the action of acetic acid vapor at 100% relative humidity. Copper plates were exposed to an acetic acid contaminated atmosphere for a period of 21 days. Five acetic vapor concentration levels were used. The copper corrosion rate was in the range of 1 to 23 mg/dm{sup 2} day. The corrosion-product layers were characterized using electrochemical, X-ray powder diffraction, Fourier transform infrared spectrometry, and scanning electron microscopy techniques. Thermal and calorimetric studies were also performed. Some of the compounds identified were cuprite (Cu{sub 2}O), copper acetate hydrate [Cu(CH{sub 3}COO){sub 2}{center_dot}2H{sub 2}O], and copper hydroxide acetate [Cu{sub 4}(OH)(CH{sub 3}COO){sub 7}{center_dot}2H{sub 2}O]. This last compound was also characterized. The thickness of the patina layers was 4 to 8 nm for amorphous cuprite, 11 to 48 nm for cuprite, and 225 nm for copper acetate. The patina, in which the cementation process of different corrosion-product layers plays an important role, is formed by the reaction of acetic vapor with copper through porous cuprite paths.

  3. EFSA Panel on Dietetic Products, Nutrition and Allergies (NDA); Scientific Opinion on the substantiation of health claims related to acetic acid and maintenance of normal blood pressure (ID 1447) pursuant to Article 13(1) of Regulation (EC) No 1924/2006

    Tetens, Inge

    Following a request from the European Commission, the Panel on Dietetic Products, Nutrition and Allergies was asked to provide a scientific opinion on a list of health claims pursuant to Article 13 of Regulation (EC) No 1924/2006. This opinion addresses the scientific substantiation of health...... claims in relation to acetic acid and maintenance of normal blood pressure. The scientific substantiation is based on the information provided by the Member States in the consolidated list of Article 13 health claims and references that EFSA has received from Member States or directly from stakeholders...... characterised. The claimed effect is “helps maintain vascular health”. The target population is assumed to be the general population. In the context of the clarifications provided by Member States, the Panel assumes that the claimed effect refers to the maintenance of normal blood pressure. The Panel considers...

  4. Benzoic acid fermentation from starch and cellulose via a plant-like β-oxidation pathway in Streptomyces maritimus

    Noda Shuhei


    Full Text Available Abstract Background Benzoic acid is one of the most useful aromatic compounds. Despite its versatility and simple structure, benzoic acid production using microbes has not been reported previously. Streptomyces are aerobic, Gram-positive, mycelia-forming soil bacteria, and are known to produce various kinds of antibiotics composed of many aromatic residues. S. maritimus possess a complex amino acid modification pathway and can serve as a new platform microbe to produce aromatic building-block compounds. In this study, we carried out benzoate fermentation using S. maritimus. In order to enhance benzoate productivity using cellulose as the carbon source, we constructed endo-glucanase secreting S. maritimus. Results After 4 days of cultivation using glucose, cellobiose, or starch as a carbon source, the maximal level of benzoate reached 257, 337, and 460 mg/l, respectively. S. maritimus expressed β-glucosidase and high amylase-retaining activity compared to those of S. lividans and S. coelicolor. In addition, for effective benzoate production from cellulosic materials, we constructed endo-glucanase-secreting S. maritimus. This transformant efficiently degraded the phosphoric acid swollen cellulose (PASC and then produced 125 mg/l benzoate. Conclusions Wild-type S. maritimus produce benzoate via a plant-like β-oxidation pathway and can assimilate various carbon sources for benzoate production. In order to encourage cellulose degradation and improve benzoate productivity from cellulose, we constructed endo-glucanase-secreting S. maritimus. Using this transformant, we also demonstrated the direct fermentation of benzoate from cellulose. To achieve further benzoate productivity, the L-phenylalanine availability needs to be improved in future.

  5. Clinical characteristics of roxatidine acetate: a review.

    Dammann, H G; de Looze, S M; Bender, W; Labs, R


    Pharmacodynamic studies revealed that 150 mg of roxatidine acetate were optimal in suppressing gastric acid secretion, and that a single bedtime dose of 150 mg was more effective than a dose of 75 mg twice daily in terms of inhibiting nocturnal acid secretion. When administered orally as a capsule containing a granule formulation, the drug displayed modified-release properties, which led to a sustained suppression of gastric acid secretion. Clinical trials revealed that roxatidine acetate, 75 mg twice daily and 150 mg at night, was highly effective in healing duodenal and gastric ulcers and in reducing ulcer pain, over 4, 6, and 8 weeks of therapy. A steady reduction in diameter was observed in those ulcers not completely healed during therapy. The single bedtime dose regimen, while producing the same degree of healing as the divided daily dose during controlled clinical trials, may be of greater value in therapeutic use owing to improved patient compliance. In all efficacy criteria (cure, reduction in ulcer size, and pain relief) there was no significant difference between roxatidine acetate in a total daily dose of 150 mg, ranitidine in a total daily dose of 300 mg, and cimetidine in a total daily dose of 800 mg. Prevention of gastric and duodenal ulcer relapse was achieved by roxatidine acetate, 75 mg at night for 6 months, in about 70% of patients, as determined in open, pilot studies--a rate comparable to those reported for cimetidine and ranitidine. Roxatidine acetate shares with ranitidine an improved safety profile when compared with cimetidine. Human pharmacology studies and short-term and long-term clinical trials have all shown that roxatidine acetate is an exceptionally well tolerated compound, without the antiandrogenic activity and interference with hepatic drug metabolism which have characterized cimetidine treatment. A reason for the improved safety profile of roxatidine acetate may be its greater potency than cimetidine (six times less potent) and

  6. Acetic acid production from food wastes using yeast and acetic acid bacteria micro-aerobic fermentation.

    Li, Yang; He, Dongwei; Niu, Dongjie; Zhao, Youcai


    In this study, yeast and acetic acid bacteria strains were adopted to enhance the ethanol-type fermentation resulting to a volatile fatty acids yield of 30.22 g/L, and improve acetic acid production to 25.88 g/L, with food wastes as substrate. In contrast, only 12.81 g/L acetic acid can be obtained in the absence of strains. The parameters such as pH, oxidation reduction potential and volatile fatty acids were tested and the microbial diversity of different strains and activity of hydrolytic ferment were investigated to reveal the mechanism. The optimum pH and oxidation reduction potential for the acetic acid production were determined to be at 3.0-3.5 and -500 mV, respectively. Yeast can convert organic matters into ethanol, which is used by acetic acid bacteria to convert the organic wastes into acetic acid. The acetic acid thus obtained from food wastes micro-aerobic fermentation liquid could be extracted by distillation to get high-pure acetic acid.

  7. Tested Demonstrations: Buffer Capacity of Various Acetic Acid-Sodium Acetate Systems: A Lecture Experiment.

    Donahue, Craig J.; Panek, Mary G.


    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)

  8. Different cerebrovascular effects of medroxyprogesterone acetate and norethisterone acetate in the New Zealand White rabbit

    Pedersen, S H; Pedersen, N G; Dalsgaard, T


    of different progestins on cerebrovascular reactivity in an animal model. METHODS: Fifty-six ovariectomized New Zealand White rabbits were randomized into seven groups receiving hormone treatment for 4 weeks: medroxyprogesterone acetate (MPA) (10 mg/day); norethisterone acetate (NETA) (3 mg/day); conjugated...

  9. Acetylation of Starch with Vinyl Acetate in Imidazolium Ionic Liquids and Characterization of Acetate Distribution

    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 ...




    We have systematically followed the efficiency of acetic fermentation, by cultivating 14 Acetobacter strains (previously isolated and identified), within a medium obtain out of ethanol and acetic acid, in various proportions, and utilizing corn extract (CE) as a nutrient. The purpose of the research was to determine the resistance of the studied Acetobacter strains related to the composition of the cultivation media (acidity and alcohol content of the medium), as well as following the dy...

  11. HPLC法测定酸奶中苯甲酸和山梨酸%The Determination of Benzoic Acid and Sorbic Acid in Yogurt by High Performance Liquid Chromatography

    冯金荣; 彭剑峰; 刘芳


    High performance liquid chromatography is established to determine benzoic acid and sorbic acid in yogurt. The lead acetate, potassium oxalate monohydrate and potassium phosphate dibasic solutions are used as deposit. The separation of two compounds is based on C18 column (150mm X 2.1ram i. d 5gin)and 10 % acetonitrile and 90% phosphoricacid salt buffer solution(pH 6. 7)as the mobile phase. The reaction is recorded by utraviolet detector. The ration of precision is 1. 69%and 2.2%, the average ration of recovery is 95.8% and 99.6%. The results are satisfactory.%用HPLC法对酸奶中的苯甲酸和山梨酸进行测定;醋酸铅、草酸钾-磷酸氢二钾溶液处理样品,C18柱(150mm×2.1mm i.d5pm)分离,流动相:乙腈:磷酸盐缓冲液(pH6.7)= 1:9,紫外检测器于227nm检测。该方法能对酸奶中苯甲酸和山梨酸很好分离,RSD分别为1.69%和2.2%,平均回收率分别是95.8%和99.6%,结果满意。

  12. Controlled free radical polymerization of vinyl acetate with cobalt acetoacetonate

    Mohammad Ali Semsarzadeh; Sahar Amiri


    The polymerization of vinyl acetate with the complex catalyst of cobalt acetoacetonate [Co (acac)2] and DMF ligand with benzoyl peroxide initiator has been successfully carried out in bulk and in solution. The bulk polymerization has been used in a new route consisting of a one-step polymer formation in a fine capillary tube. In this process, the high rate of propagation was used to carry out the reaction in a microcapillary tube. Under 60°C, the colour-free reaction without solid catalyst impurity was 95% complete within a few hours. The high molecular weight of polyvinyl acetate (PVAc) with its relatively low molecular distribution without unreacted monomer provided a new method in microprocessing of the controlled radical polymerization of vinyl acetate in a one-step polymerization process. PVAc polymerization systems showed induction time, which was reduced in this reaction with using complex of DMF/ Co(acac)2. The kinetics of the reaction with a smaller degree of branching from this catalyst indicated that the electronegativity of the transition metal and diffusion of the homogeneous catalyst with DMF are important factors of fast polymerization in the bulk. Thermal properties of the polymer indicated a lower glass transition state. The easily reformed or stretched microsolid polymer demonstrated 20% crystallinity.

  13. Invasive cervical cancer and depot-medroxyprogesterone acetate


    Preliminary results of a study of the possible relationship of depot-medroxy-progesterone acetate (DMPA) to invasive cervical cancer are presented. The findings are based on data from three participating centres in Thailand and one in Mexico. A relative risk for cervical cancer of 1.2 was observed in women who had ever used DMPA; this was not statistically significant. No consistent increase in risk with duration of use was observed, although a relative risk of 2 was found in women who had us...

  14. Acetic acid mediated interactions between alumina surfaces

    Sato, Kimiyasu, E-mail: [National Institute of Advanced Industrial Science and Technology (AIST), Anagahora 2266-98, Shimoshidami, Moriyama-ku, Nagoya 463-8560 (Japan); Y Latin-Small-Letter-Dotless-I lmaz, Hueseyin [National Institute of Advanced Industrial Science and Technology (AIST), Anagahora 2266-98, Shimoshidami, Moriyama-ku, Nagoya 463-8560 (Japan); Gebze Institute of Technology, Materials Science and Engineering Department, 41400, Gebze-Kocaeli (Turkey); Ijuin, Atsuko; Hotta, Yuji; Watari, Koji [National Institute of Advanced Industrial Science and Technology (AIST), Anagahora 2266-98, Shimoshidami, Moriyama-ku, Nagoya 463-8560 (Japan)


    Low-molecular-weight organic acids have been known to modify colloidal stability of alumina-based suspensions. We investigated interaction forces between alumina surfaces mediated by acetic acid which is one of the simplest organic acids. Forces between alumina surfaces were measured using the colloid-probe method of atomic force microscope (AFM). Repulsive forces attributed to steric repulsion due to adsorbed molecules and electrostatic repulsion dominated the interaction. Results of rheological characterization of the alumina slurry containing acetic acid supported the finding.

  15. Hydrolysis of Acetic Anhydride in a CSTR

    Veronica N. Coraci


    Full Text Available To find the optimal reactor volume and temperature for the hydrolysis of acetic anhydride at the lowest possible cost with a 90% conversion of acetic anhydride, a formula for the total cost of the reaction was created. Then, the first derivative was taken to find a value for the temperature. This value was then inputted into the second derivative of the equation to find the sign of the value which would indicate whether that point was a minima or maxima value. The minima value would then be the lowest total cost for the optimum reaction to take place.

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

    Modi, M.K.; Reddy, J.R.C.; Rao, B.V.S.K.; Prasad, R.B.N. [Indian Institute of Chemical Technology, Hyderabad (India). Division of Lipid Science and Technology


    Ethyl acetate was explored as an acyl acceptor for immobilized lipase-catalyzed preparation of biodiesel from the crude oils of Jatropha curcas (jatropha), Pongamia pinnata (karanj) and Helianthus annus (sunflower). The optimum reaction conditions for interesterification of the oils with ethyl acetate were 10% of Novozym-435 (immobilized Candida antarctica lipase B) based on oil weight, ethyl acetate to oil molar ratio of 11:1 and the reaction period of 12 h at 50 {sup o}C. The maximum yield of ethyl esters was 91.3%, 90% and 92.7% with crude jatropha, karanj and sunflower oils, respectively under the above optimum conditions. Reusability of the lipase over repeated cycles interesterification and ethanolysis was also investigated under standard reaction conditions. The relative activity of lipase could be well maintained over twelve repeated cycles with ethyl acetate while it reached to zero by 6th cycle when ethanol was used as an acyl acceptor. (author)

  17. Self-assembly of acetate adsorbates drives atomic rearrangement on the Au(110) surface

    Hiebel, Fanny; Shong, Bonggeun; Chen, Wei; Madix, Robert J.; Kaxiras, Efthimios; Friend, Cynthia M.


    Weak inter-adsorbate interactions are shown to play a crucial role in determining surface structure, with major implications for its catalytic reactivity. This is exemplified here in the case of acetate bound to Au(110), where the small extra energy of the van der Waals interactions among the surface-bound groups drives massive restructuring of the underlying Au. Acetate is a key intermediate in electro-oxidation of CO2 and a poison in partial oxidation reactions. Metal atom migration originates at surface defects and is likely facilitated by weakened Au-Au interactions due to bonding with the acetate. Even though the acetate is a relatively small molecule, weak intermolecular interaction provides the energy required for molecular self-assembly and reorganization of the metal surface.

  18. Electrochemical evaluation of the inhibitory effects of acetic acid on Saccharomyces cerevisiae

    Yuan Zhenhong; Zhao Jinsheng; Yan Yongjie; Yang Zhengyu


    A mediated electrochemical method was proposed for toxic evaluation of acetic acid on S. cerevisiae AS.380, and menadione/ferricyanide was chosen as the mediator system. The variance in electrochemical response in the absence and presence of increasing concentrations of acetic acid were used to indicate the inhibitory effects of weak acid on the yeast. The inhibitory effects of acetic acid on glucose consumption during menadione mediated reduction of ferricyanide were also measured for comparison purpose. The relative limiting current and the glucose consumption were reduced by 64.5 % and 61%, respectively, in the presence of 4g/L acetic acid at pH 4.0. The results showed that the electrochemical method can provide us with an appropriate and convenient tool for cytotoxic evaluation.

  19. Homologous series of low molecular weight (C1-C10) monocarboxylic acids, benzoic acid and hydroxyacids in fine-mode (PM2.5) aerosols over the Bay of Bengal: Influence of heterogeneity in air masses and formation pathways

    Boreddy, Suresh K. R.; Mochizuki, Tomoki; Kawamura, Kimitaka; Bikkina, Srinivas; Sarin, M. M.


    Low molecular weight monocarboxylic acids (LMW monoacids) are most abundant volatile organic compounds (VOCs) in the atmosphere and often act as important contributors to the acidity of precipitation in addition to inorganic acids. However, there is a large uncertainty in the sources and secondary formations of these acids in the atmosphere. This study reports homologous series of LMW monoacids, including normal (C1-C10), branched chain (iC4-iC6), aromatic (benzoic acid) and hydroxyacids (lactic and glycolic acids) in the fine-mode (PM2.5) aerosols collected over the Bay of Bengal (BoB) during a winter cruise (December 2008 to January 2009). The samples were associated with two distinct continental air masses arriving from the Indo-Gangetic Plain (IGP-outflow) and Southeast Asia (SEA-outflow). The molecular distributions of organic acids are characterized by the dominance of formic acid (C1) followed by acetic acid (C2) and nonanoic acid (C9) in the IGP-outflow, whereas dominance of C1 or C9 was observed in the SEA-outflow followed by C2. Formic-to-acetic acid (C1/C2) ratios were higher than unity (mean: 1.3 ± 0.3) in the IGP-outflow, whereas they were less than unity (0.9 ± 0.5) in the SEA-outflow. These results suggest that secondary formation of organic acids is largely important in the IGP-outflow whereas primary emission is a major source of organic acids in the SEA-outflow. Based on the correlation coefficient matrix analysis and C1/C2 and C4/C3 ratios, we consider that the sources of C1 are probably associated with the secondary formation via the oxidation of biogenic VOCs, while C2 has both primary and secondary formations associated with anthropogenic sources in the IGP-outflow. On the other hand, C1 and C2 have similar sources (both primary and secondary) originated from biomass burning and bacterial activities via long-range atmospheric transport in the SEA-outflow, as inferred from the MODIS fire spot data, significant concentrations of isovaleric

  20. Octreotide acetate in dominant cystoid macular dystrophy.

    Hogewind, B.F.T.; Pieters, G.; Hoyng, C.B.


    PURPOSE: Dominant cystoid macular degeneration (DCMD) is an autosomal dominant trait of cystoid macular edema with poor visual prognosis. Until now, no efficient treatments for DCMD have been reported. The authors evaluated a somatostatin-analogue (octreotide acetate) as treatment for DCMD. METHODS:

  1. Fierce Competition in China's Ethyl Acetate Market

    Wang Zichang


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

  2. Megestrol acetate in cachexia and anorexia

    Yeh, Shing-shing; Schuster, Michael W


    The aim is to review major clinical trials that have used megestrol acetate (MA) in the treatment of cachexia across several disease states. A review of general usage and potential side-effects are discussed. A theory that the newly approved nanocrystal formation of MA can better deliver this potent medication for treatment will also be reviewed. PMID:17722275

  3. Heat Bonding of Irradiated Ethylene Vinyl Acetate

    Slack, D. H.


    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.

  4. Advanced Colloids Experiment (ACE-T1)

    Meyer, William V.; Sicker, Ron; Brown, Dan; Eustace, John


    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.

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

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


    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.

  6. Hydrogen bonding and liquid crystallinity of low molar mass and polymeric mesogens containing benzoic acids: a variable temperature Fourier transform infrared spectroscopic study

    Martínez-Felipe, A.; Cook, A. G.; Wallage, M. J.; Imrie, C. T.


    The phase behaviour and mesomorphism of poly(4-(6-propenoyloxyhexyloxy)benzoic acid) (PPOHBA) and 4-pentyloxybenzoic acid (POBA) is studied using variable-temperature Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction. PPHOBA exhibits a smectic C phase and POBA, a nematic phase. The temperature dependence of the Fermi resonance bands associated with the hydroxyl groups and of the carbonyl stretching region in the FTIR spectra indicates that there is a dynamic equilibrium between monomers and open and closed dimers formed by hydrogen bonding between benzoic acid moieties. The nematic phase observed for POBA is linked to the anisotropic cyclic dimer, while an abrupt increase in the concentration of monomer drives isotropisation. In PPOHBA, hydrogen-bonded supramesogens promote smectic behaviour, while hydrogen-bonded crosslinks stabilise the lamellae. The increased viscosity arising from this dynamic crosslinking is offset by the flexibility of the acrylate backbone and alkyl spacers.

  7. Novel class of benzoic acid ester derivatives as potent PDE4 inhibitors for inhaled administration in the treatment of respiratory diseases.

    Armani, Elisabetta; Amari, Gabriele; Rizzi, Andrea; De Fanti, Renato; Ghidini, Eleonora; Capaldi, Carmelida; Carzaniga, Laura; Caruso, Paola; Guala, Matilde; Peretto, Ilaria; La Porta, Elena; Bolzoni, Pier T; Facchinetti, Fabrizio; Carnini, Chiara; Moretto, Nadia; Patacchini, Riccardo; Bassani, Franco; Cenacchi, Valentina; Volta, Roberta; Amadei, Francesco; Capacchi, Silvia; Delcanale, Maurizio; Puccini, Paola; Catinella, Silvia; Civelli, Maurizio; Villetti, Gino


    The first steps in the selection process of a new anti-inflammatory drug for the inhaled treatment of asthma and chronic obstructive pulmonary disease are herein described. A series of novel ester derivatives of 1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloropyridin-4-yl) ethanol have been synthesized and evaluated for inhibitory activity toward cAMP-specific phosphodiesterase-4 (PDE4). In particular, esters of variously substituted benzoic acids were extensively explored, and structural modification of the alcoholic and benzoic moieties were performed to maximize the inhibitory potency. Several compounds with high activity in cell-free and cell-based assays were obtained. Through the evaluation of opportune in vitro ADME properties, a potential candidate suitable for inhaled administration in respiratory diseases was identified and tested in an in vivo model of pulmonary inflammation, proving its efficacy.

  8. Adsorption of 2-X-benzoic acids (X = fluoro, chloro, and bromo) on Au(1 0 0) electrode in acidic media studied by IRAS

    Ikezawa, Yasunari [Department of Chemistry, Faculty of Science, Rikkyo University, Nishi-Ikebukuro, Toshima-Ku, Tokyo 171 (Japan)]. E-mail:; Yoshida, Atsushi [Department of Chemistry, Faculty of Science, Rikkyo University, Nishi-Ikebukuro, Toshima-Ku, Tokyo 171 (Japan); Ariga, Toshiyuki [Department of Chemistry, Faculty of Science, Rikkyo University, Nishi-Ikebukuro, Toshima-Ku, Tokyo 171 (Japan)


    Adsorption behaviors of 2-fluoro-, 2-chloro-, and 2-bromobenzoic acids on Au(1 0 0) electrode in 0.1 M HClO{sub 4} have been investigated by using in situ reflection adsorption IR spectroscopy and differential capacity measurements. It is found for the 2-substitued benzoic acids that the flat lying adsorbed species is present at negative potentials, and the vertically adsorbed benzoate with both oxygen atoms oriented toward the metal surface is present at positive potentials. A new adsorbed state due to the vertical orientation was observed around 0.75 V only in 2-fluorobenzoic acid solution, as well as the case of benzoic acid. This indicates that the new band is due to the formation of an ordered adsorption layer of the vertical 2-fluorobenzoate, and the formation of the arrangement adsorption is dependent on the size of the adsorbed molecule.

  9. Phenyl Acetate Preparation from Phenol and Acetic Acid: Reassessment of a Common Textbook Misconception.

    Hocking, M. B.


    Reassesses a common textbook misconception that "...phenols cannot be esterified directly." Results of experiments are discussed and data tables provided of an effective method for the direct preparation of phenyl acetate. (CS)

  10. The microwave spectrum of n-hexyl acetate and structural aspects of n-alkyl acetates

    Attig, T.; Kannengießer, R.; Kleiner, I.; Stahl, W.


    The microwave spectrum of n-hexyl acetate was recorded in the range of 10-13.5 GHz using the Aachen MB-FTMW spectrometer. The rotational constants of the most abundant conformer were determined to be A = 3.3591100(32) GHz, B = 0.39596553(53) GHz, and C = 0.36999804(31) GHz. Quantum chemical calculations for specific conformers were carried out at the MP2/6-311++G(d,p) level. The programs XIAM and BELGI were used to analyze the internal rotation of the acetyl methyl group. The observed conformer of n-hexyl acetate was compared to the lowest energy conformers of n-butyl acetate and n-pentyl acetate.

  11. Correlation of vapor - liquid equilibrium data for acetic acid - isopropanol - water - isopropyl acetate mixtures

    B. A. Mandagarán


    Full Text Available A correlation procedure for the prediction of vapor - liquid equilibrium of acetic acid - isopropanol - water - isopropyl acetate mixtures has been developed. It is based on the NRTL model for predicting liquid activity coefficients, and on the Hayden-O'Connell second virial coefficients for predicting the vapor phase of systems containing association components. When compared with experimental data the correlation shows a good agreement for binary and ternary data. The correlation also shows good prediction for reactive quaternary data.

  12. 11C-acetate PET imaging in patients with multiple sclerosis.

    Kazushiro Takata

    Full Text Available BACKGROUND: Activation of glial cells is a cardinal feature in multiple sclerosis (MS pathology, and acetate has been reported to be selectively uptaken by astrocytes in the CNS. The aim of this study was to investigate the efficacy of PET with (11C-acetate for MS diagnosis. MATERIALS AND METHODS: Six patients with relapsing-remitting MS and 6 healthy volunteers (HV were enrolled. The (11C-acetate brain uptake on PET was measured in patients with MS and HV. Volume-of-interest analysis of cerebral gray and white matter based on the segmentation technique for co-registered MRI and voxel-based statistical parametric analysis were performed. Correlation between 11C-acetate uptake and the lesion number in T1- and T2- weighted MR images were also assessed. RESULTS: The standardized uptake value (SUV of 11C-acetate was increased in both white and gray matter in MS patients compared to HV. Voxel-based statistical analysis revealed a significantly increased SUV relative to that in the bilateral thalami (SUVt in a broad area of white matter, particularly in the subcortical white matter of MS patients. The numbers of T2 lesions and T1 black holes were significantly correlated with SUV of (11C-acetate in white and gray matter. CONCLUSIONS: The 11C-acetate uptake significantly increased in MS patients and correlated to the number of MRI lesions. These preliminary data suggest that (11C-acetate PET can be a useful clinical examination for MS patients.

  13. Tolerance to acetic acid is improved by mutations of the TATA-binding protein gene.

    An, Jieun; Kwon, Hyeji; Kim, Eunjung; Lee, Young Mi; Ko, Hyeok Jin; Park, Hongjae; Choi, In-Geol; Kim, Sooah; Kim, Kyoung Heon; Kim, Wankee; Choi, Wonja


    Screening a library of overexpressing mutant alleles of the TATA-binding gene SPT15 yielded two Saccharomyces cerevisiae strains (MRRC 3252 and 3253) with enhanced tolerance to acetic acid. They were also tolerant to propionic acid and hydrogen peroxide. Transcriptome profile analysis identified 58 upregulated genes and 106 downregulated genes in MRRC 3252. Stress- and protein synthesis-related transcription factors were predominantly enriched in the upregulated and downregulated genes respectively. Eight deletion mutants for some of the highly downregulated genes were acetic acid-tolerant. The level of intracellular reactive oxygen species was considerably lessened in MRRC 3252 and 3253 upon exposure to acetic acid. Metabolome profile analysis revealed that intracellular concentrations of 5 and 102 metabolites were increased and decreased, respectively, in MRRC 3252, featuring a large increase of urea and a significant decrease of amino acids. The dur1/2Δmutant, in which the urea degradation gene DUR1/2 is deleted, displayed enhanced tolerance to acetic acid. Enhanced tolerance to acetic acid was also observed on the medium containing a low concentration of amino acids. Taken together, this study identified two SPT15 alleles, nine gene deletions and low concentration of amino acids in the medium that confer enhanced tolerance to acetic acid.

  14. Thermal decarboxylation of acetic acid: Implications for origin of natural gas

    Kharaka, Y.K.; Carothers, W.W.; Rosenbauer, R.J.


    Laboratory experiments on the thermal decarboxylation of solutions of acetic acid at 200??C and 300??C were carried out in hydrothermal equipment allowing for on-line sampling of both the gas and liquid phases for chemical and stable-carbon-isotope analyses. The solutions had ambient pH values between 2.5 and 7.1; pH values and the concentrations of the various acetate species at the conditions of the experiments were computed using a chemical model. Results show that the concentrations of acetic acid, and not total acetate in solution, control the reaction rates which follow a first order equation based on decreasing concentrations of acetic acid with time. The decarboxylation rates at 200??C (1.81 ?? 10-8 per second) and 300??C (8.17 ?? 10-8 per second) and the extrapolated rates at lower temperatures are relatively high. The activation energy of decarboxylation is only 8.1 kcal/mole. These high decarboxylation rates, together with the distribution of short-chained aliphatic acid anions in formation waters, support the hypothesis that acid anions are precursors for an important portion of natural gas. Results of the ??13C values of CO2, CH4, and total acetate show a reasonably constant fractionation factor of about 20 permil between CO2 and CH4 at 300??C. The ??13C values of CO2 and CH4 are initially low and become higher as decarboxylation increases. ?? 1983.

  15. Ammonium acetate enhances solvent production by Clostridium acetobutylicum EA 2018 using cassava as a fermentation medium.

    Gu, Yang; Hu, Shiyuan; Chen, Jun; Shao, Lijun; He, Huiqi; Yang, Yunliu; Yang, Sheng; Jiang, Weihong


    Cassava, due to its high starch content and low cost, is a promising candidate substrate for large-scale fermentation processes aimed at producing the solvents acetone, butanol and ethanol (ABE). However, the solvent yield from the fermentation of cassava reaches only 60% of that achieved by fermenting corn. We have found that the addition of ammonium acetate (CH(3)COONH(4)) to the cassava medium significantly promotes solvent production from cassava fermented by Clostridium acetobutylicum EA 2018, a mutant with a high butanol ratio. When cassava medium was supplemented with 30 mM ammonium acetate, the acetone, butanol and total solvent production reached 5.0, 13.0 and 19.4 g/l, respectively, after 48 h of fermentation. This level of solvent production is comparable to that obtained from corn medium. Both ammonium (NH(4) (+)) and acetate (CH(3)COO(-)) were required for increased solvent synthesis. We also demonstrated substantially increased acetic and butyric acid accumulation during the acidogenesis phase as well as greater acid re-assimilation during the solventogenesis period in ammonium acetate-supplemented cassava medium. Reverse transcription-polymerase chain reaction analysis indicated that the transcription of several genes encoding enzymes related to acidogenesis and solventogenesis in C. acetobutylicum EA 2018 were enhanced by the addition of ammonium acetate to the cassava medium.

  16. [Investigation of incidence and risk factors of subcutaneous granulomas induced by injection of leuprorelin acetate].

    Fukui, Shinji; Nakai, Yasushi; Matsumoto, Yoshihiro; Kagebayashi, Yoriaki; Samma, Shoji


    We investigated the incidence of granuloma and its related factors in 180 patients with prostate cancer who showed subcutaneous granuloma formation during androgen deprivation therapy with subcutaneously administered leuprorelin acetate. A granuloma was defined as a persistent induration over 30 mm in diameter in the injected portion. Small indurations which often developed and disappeared after every injection were excluded. The survey was performed using a questionnaire after receiving written informed consent. Among the 180 patients with prostate cancer, 21 (11.7%) developed a granuloma at the injection portion, and subsequently the injection of leuprorelin acetate had to be discontinued. Eighteen of the 21 patients alternatively received goserelin acetate. Three patients had high-grade granulomas with ulcer and abscess formation, and were successfully treated with oral antibiotics. The average duration between the first injection of leuprorelin acetate and granuloma formation was 20.2 months (range : 4 to 62 months). There was no association between granuloma formation and patient backgrounds, such as allergic predisposition and past history. Twenty-one of the 180 prostatic cancer patients developed subcutaneous granuloma induced by the injection of leuprorelin acetate. The investigation showed an unexpectedly high incidence of granuloma formation. We must explain the risk of developing subcutaneous granuloma to the patients before introducing leuprorelin acetate.

  17. A vinyl acetate sensor based on cataluminescence on MgO nanoparticles.

    Wu, Chen Chou; Cao, Xiaoan; Wen, Qiang; Wang, Zehua; Gao, Qianqian; Zhu, Huichang


    A novel cataluminescence (CTL) sensor using nanosized MgO as the sensing material for determination of the trace of vinyl acetate in air was proposed in the present study. Eight catalysts were examined and the results showed that the CTL intensity on MgO nanoparticles was the strongest. Under the optimized conditions, the linear range of the CTL intensity versus the concentration of vinyl acetate vapor was 2-2000 ppm with a detection limit of 1.0 ppm (3sigma) and a relative standard deviation (R.S.D.) of 1.18% for five times determination of 1000 ppm vinyl acetate. There were no CTL emissions when foreign substances, including ammonia, benzene, acetic acid, formaldehyde and ethyl acetate, passed through the sensor. CTL emissions were detected for methanol, ethanol and acetaldehyde at levels around 5.5%, 10.1% and 13.4% compared with the responsed vinyl acetate. The sensor had a long lifetime more than 100 h.

  18. Glatiramer acetate treatment persistence - but not adherence - in multiple sclerosis patients is predicted by health-related quality of life and self-efficacy: a prospective web-based patient-centred study (CAIR study).

    Jongen, Peter Joseph; Lemmens, Wim A; Hoogervorst, Erwin L; Donders, Rogier


    In patients with relapsing remitting multiple sclerosis (RRMS) the persistence of and adherence to disease modifying drug (DMD) treatment is inadequate. To take individualised measures there is a need to identify patients with a high risk of non-persistence or non-adherence. As patient-related factors have a major influence on persistence and adherence, we investigated whether health-related quality of life (HRQoL) and self-efficacy could predict persistence or adherence. In a prospective web-based patient-centred study in 203 RRMS patients, starting treatment with glatiramer acatete (GA) 20 mg subcutaneously daily, we measured physical and mental HRQoL (Multiple Sclerosis Quality of Life-54 questionnaire), functional and control self-efficacy (Multiple Sclerosis Self-Efficacy Scale), the 12-month persistence rate and, in persistent patients, the percentage of missed doses. HRQoL and self-efficacy were compared between persistent and non-persistent patients, and between adherent and non-adherent patients. Logistic regression analysis was used to assess whether persistence and adherence were explained by HRQoL and self-efficacy. Persistent patients had higher baseline physical (mean 58.1 [standard deviation, SD] 16.9) and mental HRQoL (63.8 [16.8]) than non-persistent patients (49.5 [17.6]; 55.9 [20.4]) (P = 0.001; P = 0.003) with no differences between adherent and non-adherent patients (P = 0.46; P = 0.54). Likewise, in persistent patients function (752 [156]) and control self-efficacy (568 [178]) were higher than in non-persistent patients (689 [173]; 491 [192]) (P = 0.009; P = 0.004), but not in adherent vs. non-adherent patients (P = 0.26; P = 0.82). Logistic regression modelling identified physical HRQoL and control self-efficacy as factors that explained persistence. Based on predicted scores from the model, patients were classified into quartiles and the percentage of non-persistent patients per quartile was calculated: non

  19. Nasal pungency, odor, and eye irritation thresholds for homologous acetates.

    Cometto-Muñiz, J E; Cain, W S


    We measured detection thresholds for nasal pungency (in anosmics), odor (in normosmics) and eye irritation employing a homologous series of acetates: methyl through octyl acetate, decyl and dodecyl acetate. All anosmics reliably detected the series up to heptyl acetate. Only the anosmics without smell since birth (congenital) reliably detected octyl acetate, and only one congenital anosmic detected decyl and dodecyl acetate. Anosmics who lost smell from head trauma proved to be selectively less sensitive. As expected, odor thresholds lay well below pungency thresholds. Eye irritation thresholds for selected acetates came close to nasal pungency thresholds. All three types of thresholds decreased logarithmically with carbon chain length, as previously seen with homologous alcohols and as seen in narcotic and toxic phenomena. Results imply that nasal pungency for these stimuli rests upon a physical, rather than chemical, interaction with susceptible mucosal structures. When expressed as thermodynamic activity, nasal pungency thresholds remain remarkably constant within and across the homologous series of acetates and alcohols.

  20. Oestrus induction using fluorogestone acetate sponges and equine ...

    Oestrus induction using fluorogestone acetate sponges and equine chorionic gonadotrophin in Red Sokoto goats. ... acetate sponge) alone or in combination with equine chorionic gonadotrophin (eCG) on oestrus response in ... Article Metrics.

  1. Theoretical investigations on the structure and properties of p-n-alkoxy benzoic acid based liquid crystals

    Subhapriya, P., E-mail:; Dhanapal, V.; Sadasivam, K.; Vijayanand, P. S. [Department of Physical sciences, Bannari Amman Institute of Technology (Autonomous), Sathyamangalam, Erode-638 401, Tamil Nadu (India)


    The present study focused on the structural conformations, alkoxy chain lengths and mesogenic properties of two mole of alkoxy benzoic acid(nOBA) and one mole of suberic acid (SA) hydrogen bonded (nOBASA) complexes (n=8 to 10) by density functional theory (DFT) calculations and the Fourier Transform Infrared (FT-IR) spectrum. The intermolecular hydrogen bond formation was confirmed by the optimized geometric bond lengths and bond angles obtained by computation. Using the natural bond orbital (NBO) analysis, the stability of the molecule arising from hyper conjugative interactions and charge delocalization has been analyzed. Results obtained shows that the charge in electron density (ED) in σ*and π* antibonding orbital and second order delocalization energies E(2) authorizes the occurrence of intermolecular charge transfer. The molecular electrostatic potential (MEP) surface map is plotted over the optimized geometry of the molecule to obtain the chemical reactivity of the molecule. From the local charge distributions, the mesomorphic behavior and the nematic phase stabilities for each of the molecule have been predicted. Finally the calculated result is applied to simulated infrared spectra of 8OBASA mesogens which shows good agreement with the observed spectra. The comparison of the theoretical results obtained with the experimental ones shows the reliability of this DFT method.

  2. Identification of robust synthon in the molecular salts of 2-aminothiazole with substituted benzoic acids: A case stu

    Madhavi Oruganti; Raghavaiah Pallepogu; Darshak R Trivedi


    Six new salts of an API intermediate 2-aminothiazole with different carboxylic acid coformers were synthesized and characterized by IR (Infrared spectroscopy), 1H-NMR, DSC (Differential scanning calorimetry), XRPD (X-ray powder diffraction) and single crystal XRD. The crystal structure of the salts with benzoic acid, 2,3-, 2,4-, 2,5-, 2,6- dihydroxybenzoic acids and 2,4-dinitrobenzoic acid were determined. The thiazole moiety exhibited solvent (polarity) assisted tautomerism in all reported salts and proton transfer was noticed to the ring N of thiazole due to which two point supramolecular synthon N+−H(thiazole)…O−(acid), N−H(amine)…O−(acid) was observed. The crystal structures were studied with respect to the positional effect of the competing functional groups like hydroxyl (−OH) and nitro (−NO2) as well as their donor and acceptor abilities for hydrogen bonding. The presence of the non-conventional hydrogen bond (C−H…O) has been found to play a critical role in the formation of secondary supramolecular architectures.

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

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


    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. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. New Polyketides and New Benzoic Acid Derivatives from the Marine Sponge-Associated Fungus Neosartorya quadricincta KUFA 0081

    Prompanya, Chadaporn; Dethoup, Tida; Gales, Luís; Lee, Michael; Pereira, José A. C.; Silva, Artur M. S.; Pinto, Madalena M. M.; Kijjoa, Anake


    Two new pentaketides, including a new benzofuran-1-one derivative (1) and a new isochromen-1-one (5), and seven new benzoic acid derivatives, including two new benzopyran derivatives (2a, b), a new benzoxepine derivative (3), two new chromen-4-one derivatives (4b, 7) and two new benzofuran derivatives (6a, b), were isolated, together with the previously reported 2,3-dihydro-6-hydroxy-2,2-dimethyl-4H-1-benzopyran-4-one (4a), from the culture of the marine sponge-associated fungus Neosartorya quadricincta KUFA 0081. The structures of the new compounds were established based on 1D and 2D NMR spectral analysis, and in the case of compounds 1, 2a, 4b, 5, 6a and 7, the absolute configurations of their stereogenic carbons were determined by an X-ray crystallographic analysis. None of the isolated compounds were active in the tests for antibacterial activity against Gram-positive and Gram-negative bacteria, as well as multidrug-resistant isolates from the environment (MIC > 256 μg/mL), antifungal activity against yeast (Candida albicans ATTC 10231), filamentous fungus (Aspergillus fumigatus ATTC 46645) and dermatophyte (Trichophyton rubrum FF5) (MIC > 512 µg/mL) and in vitro growth inhibitory activity against the MCF-7 (breast adenocarcinoma), NCI-H460 (non-small cell lung cancer) and A375-C5 (melanoma) cell lines (GI50 > 150 µM) by the protein binding dye SRB method. PMID:27438842

  5. New Polyketides and New Benzoic Acid Derivatives from the Marine Sponge-Associated Fungus Neosartorya quadricincta KUFA 0081

    Chadaporn Prompanya


    Full Text Available Two new pentaketides, including a new benzofuran-1-one derivative (1 and a new isochromen-1-one (5, and seven new benzoic acid derivatives, including two new benzopyran derivatives (2a, b, a new benzoxepine derivative (3, two new chromen-4-one derivatives (4b, 7 and two new benzofuran derivatives (6a, b, were isolated, together with the previously reported 2,3-dihydro-6-hydroxy-2,2-dimethyl-4H-1-benzopyran-4-one (4a, from the culture of the marine sponge-associated fungus Neosartorya quadricincta KUFA 0081. The structures of the new compounds were established based on 1D and 2D NMR spectral analysis, and in the case of compounds 1, 2a, 4b, 5, 6a and 7, the absolute configurations of their stereogenic carbons were determined by an X-ray crystallographic analysis. None of the isolated compounds were active in the tests for antibacterial activity against Gram-positive and Gram-negative bacteria, as well as multidrug-resistant isolates from the environment (MIC > 256 μg/mL, antifungal activity against yeast (Candida albicans ATTC 10231, filamentous fungus (Aspergillus fumigatus ATTC 46645 and dermatophyte (Trichophyton rubrum FF5 (MIC > 512 µg/mL and in vitro growth inhibitory activity against the MCF-7 (breast adenocarcinoma, NCI-H460 (non-small cell lung cancer and A375-C5 (melanoma cell lines (GI50 > 150 µM by the protein binding dye SRB method.

  6. The structure of the complex between avidin and the dye, 2-(4'-hydroxyazobenzene) benzoic acid (HABA).

    Livnah, O; Bayer, E A; Wilchek, M; Sussman, J L


    The crystal structure of the complex formed between the egg-white biotin-binding protein, avidin, and the dye, 2-(4'-hydroxyazobenzene) benzoic acid (HABA), was determined to a resolution of 2.5 A. The interaction of avidin with the benzoate ring of HABA is essentially identical to that of the complex formed between HABA and streptavidin (the bacterial analogue of the egg-white protein). This interaction emulates the definitive high-affinity interaction of both proteins with the ureido moiety of biotin. The major difference between the avidin- and streptavidin-HABA complexes lies in their interaction with the hydroxyphenyl ring of the dye molecule; in avidin, two adjacent amino acid residues (Phe72 and Ser73), which are not present in streptavidin, form additional interactions with this ring. These are suggested to account for the higher affinity of avidin for HABA. The characteristic red shift, which accompanies the interaction of both proteins with the dye, was traced to a proposed charge-transfer complex formed between the hydroxyphenyl ring of HABA and the indole ring of Trp70 in avidin (Trp79 in streptavidin). Comparison of binding site residues of two such similar proteins versus their markedly different affinities for two such different substrates should eventually contribute to a better design of biomimetic reagents and drugs.

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

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


    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.

  8. Growth, thermal, dielectric and mechanical properties of L-phenylalanine-benzoic acid: A nonlinear optical single crystal

    Tamilselvan, S.; Vimalan, M.; Vetha Potheher, I.; Rajasekar, S.; Jeyasekaran, R.; Antony Arockiaraj, M.; Madhavan, J.


    An efficient amino acid family nonlinear optical single crystal L-phenylalanine-benzoic acid (LPB) was conveniently grown by slow evaporation technique at room temperature. The crystal system and the lattice parameters were analyzed by single crystal X-ray diffraction studies. The grown crystal has excellent transmission in the entire visible region and its lower cut-off wavelength was found to be 248 nm. The SHG efficiency of the grown crystal was found to be 1.6 times higher than that of KDP crystal. The Laser damage threshold value of LPB has been found to be 6.5 GW/cm2. The sample was thermally stable up to 134 °C. Microhardness, dielectric and AC/DC conductivity measurements were made along (0 0 1) plane and reported for the first time. Microhardness studies revealed that the sample belongs to hard nature. Frequency dependent dielectric constant was measured for different temperatures and found maximum dielectric constant of 14 for 363 K. Photoconductivity studies of LPB divulged its negative photoconducting nature.

  9. Study of cross - relaxation and molecular dynamics in the solid 3-(trifluoromethyl) benzoic acid by solid state NMR off - resonance.

    Woźniak-Braszak, Aneta


    Molecular dynamics of the solid 3-(trifluoromethyl) benzoic acid containing proton (1)H and fluorine (19)F nuclei was explored by the solid-state NMR off - resonance technique. Contrary to the previous experiments the proton nuclei system I relaxed in the off - resonance effective field B→e while fluorine nuclei system S was saturated for short time in comparison to the relaxation time T1I. New cross - relaxation solid - state NMR off - resonance experiments were conducted on a homebuilt pulse spectrometer operating at the on-resonance frequency of 30.2MHz, at the off - resonance frequency varied between 30.2 and 30.6MHz for protons and at the frequency of 28.411MHz for fluorines, respectively. Based on the experimental data the dispersions of the proton off - resonance spin - lattice relaxation rate ρρ(I), the fluorine off - resonance spin - lattice relaxation rate ρρ(S) and the cross - relaxation rate σρ in the rotating frame were determined. Copyright © 2016 Elsevier Inc. All rights reserved.

  10. Kinetics of Ethyl Acetate Synthesis Catalyzed by Acidic Resins

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


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

  11. 21 CFR 582.5933 - Vitamin A acetate.


    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Vitamin A acetate. 582.5933 Section 582.5933 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Supplements 1 § 582.5933 Vitamin A acetate. (a) Product. Vitamin A acetate. (b) Conditions of use. This...

  12. Microbial acetate oxidation in horizontal rotating tubular bioreactor

    A Slavica; B Šantek; S Novak; V Marić


    The aim of this work was to investigate the possibility of conducting a continuous aerobic bioprocess in a horizontal rotating tubular bioreactor (HRTB). Aerobic oxidation of acetate by the action of a mixed microbial culture was chosen as a model process. The microbial culture was not only grown in a suspension but also in the form of a biofilm on the interior surface of HRTB. Efficiency of the bioprocess was monitored by determination of the acetate concentration and chemical oxygen demand (COD). While acetate inlet concentration and feeding rate influenced efficiency of acetate oxidation, the bioreactor rotation speed did not influence the bioprocess dynamics significantly. Gradients of acetate concentration and pH along HRTB were more pronounced at lower feeding rates. Volumetric load of acetate was proved to be the most significant parameter. High volumetric loads (above 2 g acetate l–1 h–1) gave poor acetate oxidation efficiency (only 17 to 50%). When the volumetric load was in the range of 0.60–1.75 g acetate l–1 h–1, acetate oxidation efficiency was 50–75%. At lower volumetric loads (0.14–0.58 g acetate l–1 h–1), complete acetate consumption was achieved. On the basis of the obtained results, it can be concluded that HRTB is suitable for conducting aerobic continuous bioprocesses.

  13. Acetic acid extraction from aqueous solutions using fatty acids

    IJmker, H.M.; Gramblicka, M.; Kersten, Sascha R.A.; van der Ham, Aloysius G.J.; Schuur, Boelo


    A major challenge for production of acetic acid via bio-based routes is cost-effective concentration and purification of the acetic acid from the aqueous solutions, for which liquid–liquid extraction is a possible method. A main challenge in extraction of acetic acid from dilute aqueous solutions is

  14. 21 CFR 177.1350 - Ethylene-vinyl acetate copolymers.


    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ethylene-vinyl acetate copolymers. 177.1350 Section... Basic Components of Single and Repeated Use Food Contact Surfaces § 177.1350 Ethylene-vinyl acetate copolymers. Ethylene-vinyl acetate copolymers may be safely used as articles or components of...

  15. Acetic acid extraction from aqueous solutions using fatty acids

    IJmker, H.M.; Gramblicka, M.; Kersten, S.R.A.; Ham, van der A.G.J.; Schuur, B.


    A major challenge for production of acetic acid via bio-based routes is cost-effective concentration and purification of the acetic acid from the aqueous solutions, for which liquid–liquid extraction is a possible method. A main challenge in extraction of acetic acid from dilute aqueous solutions is

  16. Acetate in Oz: Some Strategic Moves

    Colin Webb


    Full Text Available I would like to add my voice to the words of congratulations and thanks to the British Library for organising this forum, and for their generosity in making it possible for me to come across the world to be part of it. The issues we are discussing today have an importance extending beyond cellulose acetate, as they reflect our ability as custodians to deal with common threats to the documentary heritage we are charged with preserving. As I will argue later, we need to see this situation in the context of the full range of preservation management issues that face our institutions. While it imposes a burden and a challenge on us as preservation managers, it also presents opportunities to sort out some things that have needed attention for some time. I have been asked to talk about problems with cellulose acetate microfilm collections in Australia, and specifically the strategies – both national and local – that have been adopted or at least explored in response to those problems. In the time I have I will not be going into any of these in great detail, but I hope I can give you some sense of the situation down under, and perhaps draw out a few issues that might make this more than just an ‘us too’ session! One thing to emphasise from the start is that we have had a number of goes at dealing with acetate microfilm collections: it is not a newly discovered problem in Australia. One significant context in which we have been working is that of a national strategy for all kinds of cellulose acetate collection materials. Explaining this national strategy will form a major part of my presentation, with issues and approaches specific to microfilm discussed towards the end.

  17. 21 CFR 184.1721 - Sodium acetate.


    .... (d) The ingredient is used in food at levels not to exceed current good manufacturing practice in... defined in § 170.3(n)(23) of this chapter and snack foods as defined in § 170.3(n)(37) of this chapter; 0... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Sodium acetate. 184.1721 Section 184.1721 Food and...


    LI Xiaofang; LI Shanjun; QIN Anwei; YU Tongyin


    The charge-transfer complex of maleic anhydride and vinyl acetate was copolymerized under UV light. The chain composition and structure of the copolymer were analyzed with conductometry and NMR, and the chain sequence was determined as alternating. The copolymerization rates at different feed ratios, temperatures and in different solvents were investigated, giving evidence to the very active involvement of the CT complexes in the copolymerization. Terpolymerization with acrylonitrile also showed that the complex mechanism was a proper one for this system.

  19. Isolation of acetic, propionic and butyric acid-forming bacteria from biogas plants.

    Cibis, Katharina Gabriela; Gneipel, Armin; König, Helmut


    In this study, acetic, propionic and butyric acid-forming bacteria were isolated from thermophilic and mesophilic biogas plants (BGP) located in Germany. The fermenters were fed with maize silage and cattle or swine manure. Furthermore, pressurized laboratory fermenters digesting maize silage were sampled. Enrichment cultures for the isolation of acid-forming bacteria were grown in minimal medium supplemented with one of the following carbon sources: Na(+)-dl-lactate, succinate, ethanol, glycerol, glucose or a mixture of amino acids. These substrates could be converted by the isolates to acetic, propionic or butyric acid. In total, 49 isolates were obtained, which belonged to the phyla Firmicutes, Tenericutes or Thermotogae. According to 16S rRNA gene sequences, most isolates were related to Clostridium sporosphaeroides, Defluviitoga tunisiensis and Dendrosporobacter quercicolus. Acetic, propionic or butyric acid were produced in cultures of isolates affiliated to Bacillus thermoamylovorans, Clostridium aminovalericum, Clostridium cochlearium/Clostridium tetani, C. sporosphaeroides, D. quercicolus, Proteiniborus ethanoligenes, Selenomonas bovis and Tepidanaerobacter sp. Isolates related to Thermoanaerobacterium thermosaccharolyticum produced acetic, butyric and lactic acid, and isolates related to D. tunisiensis formed acetic acid. Specific primer sets targeting 16S rRNA gene sequences were designed and used for real-time quantitative PCR (qPCR). The isolates were physiologically characterized and their role in BGP discussed.

  20. Co-fermentation of acetate and sugars facilitating microbial lipid production on acetate-rich biomass hydrolysates.

    Gong, Zhiwei; Zhou, Wenting; Shen, Hongwei; Yang, Zhonghua; Wang, Guanghui; Zuo, Zhenyu; Hou, Yali; Zhao, Zongbao K


    The process of lignocellulosic biomass routinely produces a stream that contains sugars plus various amounts of acetic acid. As acetate is known to inhibit the culture of microorganisms including oleaginous yeasts, little attention has been paid to explore lipid production on mixtures of acetate and sugars. Here we demonstrated that the yeast Cryptococcus curvatus can effectively co-ferment acetate and sugars for lipid production. When mixtures of acetate and glucose were applied, C. curvatus consumed both substrates simultaneously. Similar phenomena were also observed for acetate and xylose mixtures, as well as acetate-rich corn stover hydrolysates. More interestingly, the replacement of sugar with equal amount of acetate as carbon source afforded higher lipid titre and lipid content. The lipid products had fatty acid compositional profiles similar to those of cocoa butter, suggesting their potential for high value-added fats and biodiesel production. This co-fermentation strategy should facilitate lipid production technology from lignocelluloses.

  1. Simultaneous production of acetic and gluconic acids by a thermotolerant Acetobacter strain during acetous fermentation in a bioreactor

    Majid MOUNIR; Shafiei, Rasoul; Zarmehrkhorshid, Raziyeh; Hamouda, Allal; Ismaili Alaoui, Mustapha; Thonart, Philippe


    The activity of bacterial strains significantly influences the quality and the taste of vinegar. Previous studies of acetic acid bacteria have primarily focused on the ability of bacterial strains to produce high amounts of acetic acid. However, few studies have examined the production of gluconic acid during acetous fermentation at high temperatures. The production of vinegar at high temperatures by two strains of acetic acid bacteria isolated from apple and cactus fruits, namely AF01 and CV...

  2. Analysis and dietary exposure assessment of the benzoic acid and sodium benzoate of biscuits%饼干中苯甲酸及其钠盐含量分析及其膳食暴露评估

    朱加虹; 王小骊; 袁玉伟; 张玉; 胡桂仙; 董秀金


    对市场中210个饼干样品进行苯甲酸及其钠盐含量用HPLC方法进行测定,并对检测数据采用膳食暴露评估方法,评估城市居民的膳食风险。结果显示,婴儿(6-12个月)膳食暴露量为12.25-31.62μg/kgbw·d,其97.5/99百分位值的膳食暴露量为73.99-195.62μg/kgbw·d,建议婴儿(6-12个月)少量食用或食用不含苯甲酸的婴儿饼干。对于1-3岁的幼儿其膳食暴露量为10.25-13.25μg/kgbw·d,在97.5/99百分位值的膳食暴露量为105.24-139.10μg/kgbw·d,食用此类食品的风险是可以接受的。对于3岁以上人群食用此类食品的风险比1-3岁幼儿更小,风险程度更低。另外,饼干中威化和酥性类饼干中苯甲酸的残留水平相对于其他类饼干含量略高,而发酵和韧性类的饼干中苯甲酸的含量相稍低:同时显示江苏产的产品质量相对较好。%The content of benzoic acid and its sodium of 210 biscuits samples in the market was determined by HPLC method, and according the test data, using dietary exposure assessment methods to assess dietary risk urban residents. The results showed that infants (6-12 months) dietary exposure round 12.25-31.62 μg/kg bw· d, the 97.5/99 percentile dietary exposure round 73.99-195.62 μg/kg bw·d, recommends that infants (6 to 12 months) eating a small amount of such biscuits or eating edible acid-free baby biscuits. For children aged 1 to 3, its dietary exposure is round 10.25-13.25 μg/kg bw'd, the 97.5/99 percentile dietary exposure round 105.24-139.10 μg/kg bw·d, consumption of such food risk is acceptable. For people over 3 years old the risk of eating these foods is smaller than children aged 1 to 3, lower level of risk. In addition, wafer biscuit and crisp crackers in the level of benzoic acid residue content relative to other types of biscuits is slightly higher, and fermented and tenacity in the biscuit category with lower

  3. Lipase Mediated Isoamyl Acetate Synthesis in Solvent-Free System Using Vinyl Acetate as Acyl Donor

    Annapurna Kumari


    Full Text Available Synthesis of isoamyl acetate, a flavour ester extensively used in food industry, has been carried out in a solvent-free system. In the present study, an attempt has been made to enhance the isoamyl acetate synthesis yield by transesterification of isoamyl alcohol with vinyl acetate using immobilized Rhizopus oryzae NRRL 3562 lipase. In the present synthesis, substrates had no inhibitory effect on immobilized lipase. The effects of various reaction parameters on isoamyl acetate synthesis were studied and maximum conversion was achieved at 16 % (by mass per volume of immobilized lipase, 40 °C and 200 rpm. Under these conditions, 8-hour reaction time was sufficient to reach a high ester conversion of 95 % with 0.5 mol/L of isoamyl alcohol. The structure of the transesterified product was confirmed by infrared and nuclear magnetic resonance spectroscopic studies. Immobilized lipase had Km and vmax values of 306.53 mmol/L and 99 µmol/(h·g respectively, for isoamyl acetate synthesis in a solvent-free system.

  4. Compound list: desmopressin acetate [Open TG-GATEs

    Full Text Available desmopressin acetate DDAVP 00159 ...

  5. Performance of dairy cows fed high levels of acetic acid or ethanol.

    Daniel, J L P; Amaral, R C; Sá Neto, A; Cabezas-Garcia, E H; Bispo, A W; Zopollatto, M; Cardoso, T L; Spoto, M H F; Santos, F A P; Nussio, L G


    Ethanol and acetic acid are common end products from silages. The main objective of this study was to determine whether high concentrations of ethanol or acetic acid in total mixed ration would affect performance in dairy cows. Thirty mid-lactation Holstein cows were grouped in 10 blocks and fed one of the following diets for 7 wk: (1) control (33% Bermuda hay + 67% concentrates), (2) ethanol [control diet + 5% ethanol, dry matter (DM) basis], or (3) acetic acid (control diet + 5% acetic acid, DM basis). Ethanol and acetic acid were diluted in water (1:2) and sprayed onto total mixed rations twice daily before feeding. An equal amount of water was mixed with the control ration. To adapt animals to these treatments, cows were fed only half of the treatment dose during the first week of study. Cows fed ethanol yielded more milk (37.9 kg/d) than those fed the control (35.8 kg/d) or acetic acid (35.3 kg/d) diets, mainly due to the higher DM intake (DMI; 23.7, 22.2, and 21.6 kg/d, respectively). The significant diet × week interaction for DMI, mainly during wk 2 and 3 (when acetic acid reached the full dose), was related to the decrease in DMI observed for the acetic acid treatment. There was a diet × week interaction in excretion of milk energy per DMI during wk 2 and 3, due to cows fed acetic acid sustained milk yield despite lower DMI. Energy efficiency was similar across diets. Blood metabolites (glucose, insulin, nonesterified fatty acids, ethanol, and γ-glutamyl transferase activity) and sensory characteristics of milk were not affected by these treatments. Animal performance suggested similar energy value for the diet containing ethanol compared with other diets. Rumen conversion of ethanol to acetate and a concomitant increase in methane production might be a plausible explanation for the deviation of the predicted energy value based on the heat of combustion. Therefore, the loss of volatile compounds during the drying process in the laboratory should be

  6. 参芪扶正注射液联合甲地孕酮改善晚期恶性肿瘤患者癌因性疲乏的临床研究%Clinical study on the effect of Shenqifuzheng injection combined with megestrol acetate in improving cancer - related fatigue in patients with advanced cancer

    刘志勇; 周建伟; 潘龙赐; 葛婷


    目的:探讨参芪扶正注射液联合甲地孕酮改善晚期恶性肿瘤患者癌因性疲乏的临床效果。方法选择恶性肿瘤患者60例为研究对象,随机分作两组,一组为中西药联合组(30例),另一组为西药组(30例),前者使用参芪扶正注射液联合甲地孕酮加对症支持治疗,后者予甲地孕酮加对症支持治疗,比较两组治疗后 Piper 评分、血红蛋白(Hb)、总 T 细胞(CD3+)、Th 细胞(CD3+ CD4+)比例、TNF -α和 TGF -β1的水平。结果治疗后两组在 Pipper 评分各项中得分相比,中西医联合组显著低于西药组( t =2.412~3.723,P =0.008~0.040)。治疗后中西医药联合组 Hb、总T 细胞(CD3+)、Th 细胞(CD3+ CD4+)比率显著高于治疗后的西药组( t =2.543~3.812,P =0.011~0.039)。治疗后中西医药联合组静脉血 TNF -α、TGF -β1的水平显著低于西药组( t =2.913,4.223,P =0.002,0.034)。结论参芪扶正注射液联合甲地孕酮改善晚期恶性肿瘤患者癌因性疲乏具有较好的治疗效果,其机制可能与提高总 T 细胞、Th 细胞比例,降低 TGF -β1、TNF -α等细胞因子水平有关。%Objective To explore the effect of Shenqifuzheng injection combined with megestrol acetate in improving the effect of cancer- related fatigue in patients with advanced cancer. Methods A total of 60 cases of cancer were collected and randomly divided into Chinese com-bined western medicine group and western medicine group,each with 30 cases. In Chinese combined western medicine group,patients were ad-ministrated with Shenqifuzheng injection combined with megestrol acetate plus symptomatic and supportive treatment. In western medicine group, patients were given with megestrol acetate plus symptomatic and supportive treatment. Piper scoring,level of hemoglobin(Hb),total number of T cells(CD3 + ),ratio of Th cells(CD3 + and CD4 + )and levels of TNF -

  7. Enthalpies of formation and lattice enthalpies of alkaline metal acetates

    Aleixo, Ana I. [Departamento de Quimica e Bioquimica, Faculdade de Ciencias, Universidade de Lisboa, 1749-016 Lisbon (Portugal); Oliveira, Pedro H. [Centro de Quimica Estrutural, Complexo Interdisciplinar, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal); Diogo, Herminio P. [Centro de Quimica Estrutural, Complexo Interdisciplinar, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal); Minas da Piedade, Manuel E. [Departamento de Quimica e Bioquimica, Faculdade de Ciencias, Universidade de Lisboa, 1749-016 Lisbon (Portugal)]. E-mail:


    The standard (p{sup o}=0.1MPa) molar enthalpies of formation in the crystalline state of the alkaline metal acetates CH{sub 3}COOM (M=Li, Na, K, Rb, Cs), at T=298.15K, were determined by reaction-solution calorimetry as: {delta}{sub f}H{sub m}{sup o}(CH{sub 3}COOLi,cr)=-(741.40+/-0.95)kJmol{sup -1}, {delta}{sub f}H{sub m}{sup o}(CH{sub 3}COONa,cr)=-(711.01+/-0.51)kJmol{sup -1}, {delta}{sub f}H{sub m}{sup o}(CH{sub 3}COOK,cr)=-(722.36+/-0.49)kJmol{sup -1}, {delta}{sub f}H{sub m}{sup o}(CH{sub 3}COORb,cr)=-(722.31+/-1.09)kJmol{sup -1}, {delta}{sub f}H{sub m}{sup o}(CH{sub 3}COOCs,cr)=-(726.10+/-1.07)kJmol{sup -1}. These results, taken together with the enthalpies of formation of the haloacetates XCH{sub 2}COOM (M=Li, Na; X=Cl, Br, I) and chloropropionates ClCH(CH{sub 3})COOM (M=Li, Na) re-evaluated from literature data were used to derive a consistent set of lattice energies, and discuss some general trends of the structure-energetics relationship for the CH{sub 3}COOM, XCH{sub 2}COOM, and ClCH(CH{sub 3})COOM compounds, based on the Kapustinskii approximation. It was found that the lattice energies of the haloacetates are essentially independent of the halogen and ca. 17-25kJmol{sup -1} smaller than those of the corresponding acetates. In addition, no significant difference between the lattice enthalpy values of the haloacetates and chloropropionates was observed. Finally, linear correlations of very similar slope were obtained by plotting the M-O bond distances derived from the Kapustinskii equation against the published experimental M-O bond distances for alkaline metal acetates and alkoxides. The analysis of these relations suggests that the metal-oxygen bond distances for the lithium, potassium, and rubidium acetates, whose molecular structures in the solid state have not been determined, can be estimated as 214, 288, and 304pm, respectively.

  8. Adaptation and tolerance of bacteria against acetic acid.

    Trček, Janja; Mira, Nuno Pereira; Jarboe, Laura R


    Acetic acid is a weak organic acid exerting a toxic effect to most microorganisms at concentrations as low as 0.5 wt%. This toxic effect results mostly from acetic acid dissociation inside microbial cells, causing a decrease of intracellular pH and metabolic disturbance by the anion, among other deleterious effects. These microbial inhibition mechanisms enable acetic acid to be used as a preservative, although its usefulness is limited by the emergence of highly tolerant spoilage strains. Several biotechnological processes are also inhibited by the accumulation of acetic acid in the growth medium including production of bioethanol from lignocellulosics, wine making, and microbe-based production of acetic acid itself. To design better preservation strategies based on acetic acid and to improve the robustness of industrial biotechnological processes limited by this acid's toxicity, it is essential to deepen the understanding of the underlying toxicity mechanisms. In this sense, adaptive responses that improve tolerance to acetic acid have been well studied in Escherichia coli and Saccharomyces cerevisiae. Strains highly tolerant to acetic acid, either isolated from natural environments or specifically engineered for this effect, represent a unique reservoir of information that could increase our understanding of acetic acid tolerance and contribute to the design of additional tolerance mechanisms. In this article, the mechanisms underlying the acetic acid tolerance exhibited by several bacterial strains are reviewed, with emphasis on the knowledge gathered in acetic acid bacteria and E. coli. A comparison of how these bacterial adaptive responses to acetic acid stress fit to those described in the yeast Saccharomyces cerevisiae is also performed. A systematic comparison of the similarities and dissimilarities of the ways by which different microbial systems surpass the deleterious effects of acetic acid toxicity has not been performed so far, although such exchange

  9. Enzymatic synthesis of isoamyl acetate using immobilized lipase from Rhizomucor miehei.

    Hari Krishna, S; Divakar, S; Prapulla, S G; Karanth, N G


    The effects of important reaction parameters for enhancing isoamyl acetate formation through lipase-catalyzed esterification of isoamyl alcohol were investigated in this study. Increase in substrate (acid) concentration led to decrease in conversions. A critical enzyme concentration of 3 g l(-1) was detected for a substrate concentration of 0.06 M (each of alcohol and acid). Solvents with partition coefficient higher than 1000 (log P>3.0) supported enzyme activity to give high conversions. Acetic acid at higher concentrations could not be esterified easily probably owing to its role in lowering the microaqueous pH of the enzyme. Extraneous water/buffer addition decreased the isoamyl acetate yields slightly ( approximately 10%) at 0.005-0.01% v/v of the reaction mixture and drastically (>40%) at above 0.01% v/v. Buffer saturation of the organic solvent employed improved esterification (upto two-fold), particularly at moderately higher substrate concentrations (>0.18 M). Employing acetic anhydride instead of acetic acid resulted in a two-fold increase in the yields (at 0.25 M substrate). Use of excess nucleophile (alcohol) concentration by increasing the alcohol/acid molar ratio resulted in higher conversions in shorter duration (upto eight-fold even at 1.5 M acetic acid). Yields above 80% were achieved with substrate concentrations as high as 1.5 M and more than 150 g l(-1) isoamyl acetate concentrations were obtained employing a relatively low enzyme concentration of 10 g l(-1). The operational stability of lipase was also observed to be reasonably high enabling ten reuses of the biocatalyst.


    CHENDean; HUANGShizhuan; 等


    Two kinds of rhodium catalysts supported on cross-linked styrene-divinylbenzene copolymers containing bipyridine or o-phenylene diamine have been prepared and found to display high activity for methyl acetate carbonylation to form acetic anhydride,the activities are even higher than their homogeneous counterparts. XPS analysis was used to characterize the synthetic catalysts.The apparent activation parameters were determined to be Eα=73.3KJ/mol,ΔH≠=66.3KJ/mol,ΔS≠=-28.6eu.These parameters are very close to those in methanol carbonylation and imply to have analogous mechanism in both cases.

  11. Behaviour of Tributylamine as Entrainer for the Separation of Water and Acetic Acid with Reactive Extractive Distillation

    雷志刚; 李成岳; 陈标华


    A new separation method, reactive extractive distillation, was put forward for separating water and acetic acid. The separation mechanism was analyzed through infrared spectra technique. Isobaric vapor-liquid equilibrium (VLE) data at 101.33 kPa for the binary or ternary systems consisting of water, acetic acid and tributylamine were measured. The activity coefficients were correlated by using Wilson, NRTL, and UNIQUAC Equations.The VLE experiment showed that tributylamine could enhance the relative volatility of water to acetic acid. An extractive distillation experiment was carried out and proved that tributylamine was a good extractive solvent.

  12. Scalar Relativistic Study of the Structure of Rhodium Acetate

    Emily E. Edwards


    Full Text Available Abstract: Rhodium acetate, related rhodium carboxylates, and rhodium amide complexes are powerful catalysts for carbene chemistry. They readily promote the decomposition of diazo compounds and transfer the resulting carbene to a variety of substrates. There have been several quantum chemistry studies of these compounds, particularly of the acetate. These have all used non-relativistic methods, and all have shown optimized Rh-Rh bond lengths significantly longer than the experimental value. In this study we have surveyed several scalar relativistic DFT methods using Gaussian, Slater, and numerical basis functions (in DGAUSS, ADF, and DMOL3. Several combinations of exchange-correlation functionals with relativistic and non-relativistic effective core potentials (ECP were investigated, as were non-relativistic and all electron scalar relativistic methods. The combination of the PW91 exchange and PW91 correlation functional with the Christiansen-Ermler ECP gave the best results: 2.3918 Å compared to the experimental value of 2.3855±0.0005 Å.

  13. Aerobic oxidation of aqueous ethanol using heterogeneous gold catalysts: Efficient routes to acetic acid and ethyl acetate

    Jørgensen, Betina; Christiansen, Sofie Egholm; Thomsen, M.L.D.


    The aerobic oxidation of aqueous ethanol to produce acetic acid and ethyl acetate was studied using heterogeneous gold catalysts. Comparing the performance of Au/MgAl2O4 and Au/TiO2 showed that these two catalysts exhibited similar performance in the reaction. By proper selection of the reaction...... conditions, yields of 90-95% of acetic acid could be achieved at moderate temperatures and pressures. Based on our findings, a reaction pathway for the catalytic oxidation of ethanol via acetaldehyde to acetic acid is proposed, and the rate-determining step (RDS) in the mechanism is found to be the (possibly......, the possibilities for producing ethyl acetate by the aerobic oxidation of ethanol is also studied. At low ethanol concentrations, the main product is acetic acid; at concentrations >60 wt%, it is ethyl acetate....

  14. Quantification of tetrabromo benzoic acid and tetrabromo phthalic acid in rats exposed to the flame retardant Uniplex FPR-45.

    Silva, Manori J; Hilton, Donald; Furr, Johnathan; Gray, L Earl; Preau, James L; Calafat, Antonia M; Ye, Xiaoyun


    The first withdrawal of certain polybrominated diphenyl ethers flame retardants from the US market occurred in 2004. Since then, use of brominated non-PBDE compounds such as bis(2-ethylhexyl)-2,3,4,5-tetrabromophthalate (BEH-TEBP) and 2-ethylhexyl-2,3,4,5-tetrabromobenzoate (EH-TBB) in commercial formulations has increased. Assessing human exposure to these chemicals requires identifying metabolites that can potentially serve as their biomarkers of exposure. We administered by gavage a dose of 500 mg/Kg bw of Uniplex FRP-45 (>95 % BEH-TEBP) to nine adult female Sprague-Dawley rats. Using authentic standards and mass spectrometry, we positively identified and quantified 2,3,4,5-tetrabromo benzoic acid (TBBA) and 2,3,4,5-tetrabromo phthalic acid (TBPA) in 24-h urine samples collected 1 day after dosing the rats and in serum at necropsy, 2 days post-exposure. Interestingly, TBBA and TBPA concentrations correlated well (R (2) = 0.92). The levels of TBBA, a known metabolite of EH-TBB, were much higher than the levels of TBPA both in urine and serum. Because Uniplex FRP-45 was technical grade and EH-TBB was present in the formulation, TBBA likely resulted from the metabolism of EH-TBB. Taken together, our data suggest that TBBA and TBPA may serve as biomarkers of exposure to non-PBDE brominated flame retardant mixtures. Additional research can provide useful information to better understand the composition and in vivo toxicokinetics of these commercial mixtures.

  15. 2-{[1-(3,4-Dihydroxyphenyl)methylidene]amino}benzoic acid immobilized Amberlite XAD-16 as metal extractant.

    Venkatesh, Gopalan; Singh, Ajai K


    2-{[1-(3,4-Dihydroxyphenyl)methylidene]amino}benzoic acid (DMABA) was loaded on Amberlite XAD-16 (AXAD-16) via azo linker and the resulting resin AXAD-16-DMABA explored for enrichment of Zn(II), Mn(II), Ni(II), Pb(II), Cd(II), Cu(II), Fe(III) and Co(II). The optimum pH values for extraction are 6.5-7.0, 5.0-6.0, 5.5-7.5, 5.0-6.5, 6.5-8.0, 5.5-7.0, 4.0-5.0 and 6.0-7.0, respectively. The sorption capacity was found between 97 and 515mumolg(-1) and the preconcentration factors from 100 to 450. Tolerance limits for foreign species are reported. The kinetics of sorption is fast as t(1/2) is

  16. Oxygen Permeability of Polypropylene Containing Polyisobutene with Magnesium Acetate


    The oxygen permeabilities of polypropylene films are reduced by adding a minor percentage of a polyisobutene ionomer. The polyisobutene ionomers were prepared by in situ salt exchange of magnesium acetate with maleated polyisobutenes of commercially available low relative molecular mass. The more polar magnesium salts aided phase separation during crystallization from the molten polypropylene mixture. Scanning electron microscope photographs revealed that the polyisobutene ionomer is largely concentrated in the amorphous regions between the polypropylene spherulites, where the ionomer tends to concentrate during crystallization. The influence of the polyisobutene ionomer on the oxygen permeability of polypropylene was found to be slightly dependent upon the relative molecular mass of the polyisobutene precursor. Under optimum conditions, the oxygen permeability of polypropylene is reduced by 20% with only 1% additive.

  17. Invasive cervical cancer and depot-medroxyprogesterone acetate


    Preliminary results of a study of the possible relationship of depot-medroxy-progesterone acetate (DMPA) to invasive cervical cancer are presented. The findings are based on data from three participating centres in Thailand and one in Mexico. A relative risk for cervical cancer of 1.2 was observed in women who had ever used DMPA; this was not statistically significant. No consistent increase in risk with duration of use was observed, although a relative risk of 2 was found in women who had used DMPA for more than 5 years. This observed increase in risk was confined to women who were aged under 46 years or who had first been exposed to DMPA before 30 years of age. These findings are based on small numbers of subjects, and may not represent a causal relationship. PMID:2931205

  18. Safety and determination benzoic acid and sodium benzoate%苯甲酸和苯甲酸钠安全性与检测方法研究进展

    李菊; 刘淑君; 黄雪琳


      As one of the acidic preservative,the abuse of benzoic acid and sodium benzoate is very dangerous. Because the residue of benzoic acid and sodium benzoate would do great harm to the human health even cause cancer after they were taken through the food and medicament. The researchers have dedicated many efforts to research for residue determination of benzoic acid and Sodium Benzoate. The security and methods for benzoic acid and sodium benzoate detection were summarized. this study was useful for the detecting technology of benzoic acid and sodium benzoate residues.%  苯甲酸和苯甲酸钠是一种酸性防腐剂,过量滥用很危险;因苯甲酸和苯甲酸钠被人体过量摄入后,会对人体健康造成极大危害,甚至致癌。该文对苯甲酸和苯甲酸钠残留安全性及检测方法进行综述,以期为苯甲酸和苯甲酸钠残留检测方法研究提供参考。

  19. Age-dependent changes from allylphenol to prenylated benzoic acid production in Piper gaudichaudianum Kunth.

    Gaia, Anderson M; Yamaguchi, Lydia F; Jeffrey, Christopher S; Kato, Massuo J


    HPLC-DAD and principal component analysis (PCA) of the (1)H NMR spectrum of crude plant extracts showed high chemical variability among seedlings and adult organs of Piper gaudichaudianum. While gaudichaudianic acid was the major compound in the adult leaves, apiole and dillapiole were the major compounds in their seedling leaves. By the 15th month of seedling growth, the levels of apiole and dillapiole decreased and gaudichaudianic acid appeared along with two compounds, biosynthetically related to gaudichaudianic acid.

  20. Mitochondria defects are involved in lead-acetate-induced adult hematopoietic stem cell decline.

    Liu, Jun; Jia, Dao-Yong; Cai, Shi-Zhong; Li, Cheng-Peng; Zhang, Meng-Si; Zhang, Yan-Yan; Yan, Chong-Huai; Wang, Ya-Ping


    Occupational high-grade lead exposure has been reduced in recent decades as a result of increased regulation. However, environmental lead exposure remains widespread, and is associated with severe toxicity implicated in human diseases. We performed oral intragastric administration of various dose lead acetate to adult Sprague Dawley rats to define the role of lead exposure in hematopoietic stem cells (HSCs) function, and to clarify its underlying mechanism. Lead acetate-exposed rats exhibited developmental abnormalities in myeloid and lymphoid lineages, and a significant decline in immune functions. It also showed HSCs functional decline associated with senescent phenotype with low grade lead acetate exposure or apoptotic phenotype with relative higher grade dose exposure. Mechanistic exploration showed a significant increase in reactive oxygen species (ROS) in the lead acetate-exposed CD90(+)CD45(-) compartment, which correlated with functional defects in cellular mitochondria. Furthermore, in vivo treatment with the antioxidant vitamin C led to reversion of the CD90(+)CD45(-) compartment functional decline. These results indicate that lead acetate perturbs the hematopoietic balance of adult HSCs, associated with cellular mitochondria defects, increased intracellular ROS generation. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  1. Formation of ethyl acetate from whey by Kluyveromyces marxianus on a pilot scale.

    Löser, Christian; Urit, Thanet; Stukert, Anton; Bley, Thomas


    Whey arising in huge amounts during milk processing is a valuable renewable resource in the field of White Biotechnology. Kluyveromyces marxianus is able to convert whey-borne lactose into ethyl acetate, an environmentally friendly solvent. Formation of ethyl acetate as a bulk product is triggered by iron (Fe). K. marxianus DSM 5422 was cultivated aerobically in whey-borne medium originally containing 40 μg/L Fe, supplemented with 1, 3 or 10 mg/L Fe in the pre-culture, using an 1 L or 70 L stirred reactor. The highest Fe content in the pre-culture promoted yeast growth in the main culture causing a high sugar consumption for growth and dissatisfactory formation of ethyl acetate, while the lowest Fe content limited yeast growth and promoted ester synthesis but slowed down the process. An intermediate Fe dose (ca. 0.5 μg Fe/g sugar) lastly represented a compromise between some yeast growth, a quite high yield of ethyl acetate and an acceptable duration of the process. The mass of ethyl acetate related to the sugar consumed amounted to 0.113, 0.265 and 0.239 g/g in the three processes corresponding to 21.9%, 51.4% and 46.3% of the theoretically maximum yield. The performance on a pilot scale was somewhat higher than on lab scale.

  2. Acetic acid production from marine algae. Progress report No. 2, September 30--December 31, 1977


    Preliminary results on the production of acetic acid from marine algae by anaerobic fermentation indicate that the rate is quite fast. First order rate constants of 0.77 day/sup -1/ were observed. This rate constant gives a half-life of less than one day. In other words, with a properly designed product removal system a five day retention time would yield 98% of theoretical conversion. Determination of the theoretical conversion of marine algae to acetic acid is the subject of much experimentation. The production of one acetic acid molecule (or equivalent in higher organic acids) for each three carbon atoms in the substrate has been achieved; but it is possible that with a mixed culture more than one acetic acid molecule may be produced for each three carbons in the substrate. Work is continuing to improve the yield of acetic acid from marine algae. Marine algae have been found to be rather low in carbon, but the carbon appears to be readily available for fermentation. It, therefore, lends itself to the production of higher value chemicals in relatively expensive equipment, where the rapid conversion rate is particularly cost effective. Fixed packed bed fermenters appear to be desirable for the production of liquid products which are inhibitory to the fermentation from coarse substrates. The inhibitory products may be removed from the fermentation by extraction during recirculation. This technique lends itself to either conventional processing or low capital processing of substrates which require long retention times.

  3. Acetic Acid Detection Threshold in Synthetic Wine Samples of a Portable Electronic Nose

    Miguel Macías Macías


    Full Text Available Wine quality is related to its intrinsic visual, taste, or aroma characteristics and is reflected in the price paid for that wine. One of the most important wine faults is the excessive concentration of acetic acid which can cause a wine to take on vinegar aromas and reduce its varietal character. Thereby it is very important for the wine industry to have methods, like electronic noses, for real-time monitoring the excessive concentration of acetic acid in wines. However, aroma characterization of alcoholic beverages with sensor array electronic noses is a difficult challenge due to the masking effect of ethanol. In this work, in order to detect the presence of acetic acid in synthetic wine samples (aqueous ethanol solution at 10% v/v we use a detection unit which consists of a commercial electronic nose and a HSS32 auto sampler, in combination with a neural network classifier (MLP. To find the characteristic vector representative of the sample that we want to classify, first we select the sensors, and the section of the sensors response curves, where the probability of detecting the presence of acetic acid will be higher, and then we apply Principal Component Analysis (PCA such that each sensor response curve is represented by the coefficients of its first principal components. Results show that the PEN3 electronic nose is able to detect and discriminate wine samples doped with acetic acid in concentrations equal or greater than 2 g/L.

  4. Effects of the use of acetic acid as the conservant in lucerne ensiling

    Đorđević Nenad


    Full Text Available The influence of acetic acid as the chemical conservant in three doses (4, 6 8 g/kg green mass on the intensity of fermentation and proteolysis in lucerne silage was investigated. On the basis of chemical analysis, it was found that with the increase of conservant dose the pH value decreased aminogenesis and nitrogen solubility was limited. In silages treated the absolute and relative domination of acetic acid was found in total acid content. The increase of free and bonded acetic acid was discovered with the increase of conservant dose. Free butyric acid was not detected, while bonded butyric acid was present in negligible concentration, without effect on silage quality. Compared to control silage (III quality class according to DLG and Zelter method, a significant increase of acetic acid in silages resulted in the decline of their quality, and they were ranked as not useful (V quality class according to DLG method, or on the margin of usefulness (IV quality class according to Zelter method. In spite of some foreign references, domestic experiences show that acetic acid is not an effective conservant and it is not recommended for that use for lucerne that is not simple to ensile.

  5. Formate and acetate as recorded in a mid-latitude glacier in west China

    LI Xinqing (Xinqing LEE); QIN Dahe; HE Yuanqing; ZHANG Caili; ZHOU Hui; JIAO Keqin


    Formate and acetate are ubiquitous in the troposphere. Their occurrence is closely related to processes in the biosphere and contributes to an understanding of carbon biogeochemical cycles. A 43-year record of formate and acetate in an ice core from Glacier 1 (43°06′N, 86°49′E) at Urumqi river head, Tianshan, west China was investigated. Fluctuating between 22.7 ng·g-1 and 2830.7 ng·g-1, acetate concentration averages 373.2 ± 376.1 ng·g-1 (mean ± 1σ, N = 541) and is the highest anion in the record. Next to acetate, the concentration for formate varies between 2.1 ng·g-1 and 795.5 ng·g-1 and averages 61.1 ± 89.0ng·g-1 (N = 541). The formate to acetate ratio averages 0.22 ± 0.25 (N = 541), indicating that the chief source is from fossil fuel combustion, coal burning in particular. The two species co-varied in the past four decades and exhibited periods of high concentration from the early 1960s to the middle of 1970s and from the early 1980s to the middle of 1990s, separated by a time of the lower concentration between 1975-1980. These variations may reflect the local/regional anthropogenic pollution to the atmosphere as well as the economic development of northwestern China.

  6. Photoelectron spectroscopy of a series of acetate and propionate esters

    Śmiałek, Małgorzata A.; Guthmuller, Julien; MacDonald, Michael A.; Zuin, Lucia; Delwiche, Jacques; Hubin-Franskin, Marie-Jeanne; Lesniewski, Tadeusz; Mason, Nigel J.; Limão-Vieira, Paulo


    The electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies were determined as: 10.21 and 10.45 eV for methyl acetate, 9.99 and 10.22 eV for isopropyl acetate, 10.07 and 10.26 eV for butyl acetate, 10.01 and 10.22 eV for pentyl acetate, 10.16 and 10.36 eV for methyl propionate and 9.99 and 10.18 eV for ethyl propionate. For the four smaller esters vibrational transitions were calculated and compared with those identified in the photoelectron spectrum, revealing the most distinctive ones to be a Csbnd O stretch combined with a Cdbnd O stretch. The ionization energies of methyl and ethyl esters as well as for a series of formates and acetates were compared showing a clear dependence of the value of the ionization energy on the size of the molecule with very little influence of its conformation.

  7. Sphingolipids contribute to acetic acid resistance in Zygosaccharomyces bailii.

    Lindahl, Lina; Genheden, Samuel; Eriksson, Leif A; Olsson, Lisbeth; Bettiga, Maurizio


    Lignocellulosic raw material plays a crucial role in the development of sustainable processes for the production of fuels and chemicals. Weak acids such as acetic acid and formic acid are troublesome inhibitors restricting efficient microbial conversion of the biomass to desired products. To improve our understanding of weak acid inhibition and to identify engineering strategies to reduce acetic acid toxicity, the highly acetic-acid-tolerant yeast Zygosaccharomyces bailii was studied. The impact of acetic acid membrane permeability on acetic acid tolerance in Z. bailii was investigated with particular focus on how the previously demonstrated high sphingolipid content in the plasma membrane influences acetic acid tolerance and membrane permeability. Through molecular dynamics simulations, we concluded that membranes with a high content of sphingolipids are thicker and more dense, increasing the free energy barrier for the permeation of acetic acid through the membrane. Z. bailii cultured with the drug myriocin, known to decrease cellular sphingo-lipid levels, exhibited significant growth inhibition in the presence of acetic acid, while growth in medium without acetic acid was unaffected by the myriocin addition. Furthermore, following an acetic acid pulse, the intracellular pH decreased more in myriocin-treated cells than in control cells. This indicates a higher inflow rate of acetic acid and confirms that the reduction in growth of cells cultured with myriocin in the medium with acetic acid was due to an increase in membrane permeability, thereby demonstrating the importance of a high fraction of sphingolipids in the membrane of Z. bailii to facilitate acetic acid resistance; a property potentially transferable to desired production organisms suffering from weak acid stress.

  8. The reversible addition-fragmentation chain transfer (RAFT) miniemulsion polymerization of vinyl acetate mediated by xanthate

    Bo Jiang; Qing Hua Zhang; Xiao Li Zhan; Feng Qiu Chen


    The reversible addition-fragmentation chain transfer (RAFT) miniemulsion polymerization of vinyl acetate (VAt) mediated by methyl (methoxycarbonothioyl) sulfanyl acetate (MMSA) was carried out. The results showed that polymerizations initiated by AIBN and KPS proceeded in a controlled way. The RAFT miniemulsion polymerization of VAc initiated by KPS showed the shorter inhibition period, higher propagation rate coefficient and final conversion than those in experiment initiated by AIBN. When the monomer conversion reached 25%, the polydispersity index (PDI) of polymer became broad, which was related to chain transfer reaction in RAFT miniemulsion of VAc.

  9. Acetate mediates a microbiome-brain-β-cell axis to promote metabolic syndrome

    Perry, Rachel J; Peng, Liang; Barry, Natasha A


    Obesity, insulin resistance and the metabolic syndrome are associated with changes to the gut microbiota; however, the mechanism by which modifications to the gut microbiota might lead to these conditions is unknown. Here we show that increased production of acetate by an altered gut microbiota...... in rodents leads to activation of the parasympathetic nervous system, which, in turn, promotes increased glucose-stimulated insulin secretion, increased ghrelin secretion, hyperphagia, obesity and related sequelae. Together, these findings identify increased acetate production resulting from a nutrient......-gut microbiota interaction and subsequent parasympathetic activation as possible therapeutic targets for obesity....

  10. Genomic Expression Program Involving the Haa1p-Regulon in Saccharomyces cerevisiae Response to Acetic Acid

    Becker, Jorg D.; Sá-Correia, Isabel


    Abstract The alterations occurring in yeast genomic expression during early response to acetic acid and the involvement of the transcription factor Haa1p in this transcriptional reprogramming are described in this study. Haa1p was found to regulate, directly or indirectly, the transcription of approximately 80% of the acetic acid-activated genes, suggesting that Haa1p is the main player in the control of yeast response to this weak acid. The genes identified in this work as being activated in response to acetic acid in a Haa1p-dependent manner include protein kinases, multidrug resistance transporters, proteins involved in lipid metabolism, in nucleic acid processing, and proteins of unknown function. Among these genes, the expression of SAP30 and HRK1 provided the strongest protective effect toward acetic acid. SAP30 encode a subunit of a histone deacetylase complex and HRK1 encode a protein kinase belonging to a family of protein kinases dedicated to the regulation of plasma membrane transporters activity. The deletion of the HRK1 gene was found to lead to the increase of the accumulation of labeled acetic acid into acid-stressed yeast cells, suggesting that the role of both HAA1 and HRK1 in providing protection against acetic acid is, at least partially, related with their involvement in the reduction of intracellular acetate concentration. PMID:20955010

  11. Immunotoxicity of trenbolone acetate in Japanese quail

    Quinn, M.J.; McKernan, M.; Lavoie, E.T.; Ottinger, M.A.


    Trenbolone acetate is a synthetic androgen that is currently used as a growth promoter in many meat-exporting countries. Despite industry laboratories classifying trenbolone as nonteratogenic, data showed that embryonic exposure to this androgenic chemical altered development of the immune system in Japanese quail. Trenbolone is lipophilic, persistent, and released into the environment in manure used as soil fertilizer. This is the first study to date to assess this chemical's immunotoxic effects in an avian species. A one-time injection of trenbolone into yolks was administered to mimic maternal deposition, and subsequent effects on the development and function of the immune system were determined in chicks and adults. Development of the bursa of Fabricius, an organ responsible for development of the humoral arm of the immune system, was disrupted, as indicated by lower masse, and smaller and fewer follicles at day 1 of hatch. Morphological differences in the bursas persisted in adults, although no differences in either two measures of immune function were observed. Total numbers of circulating leukocytes were reduced and heterophil-lymphocyte ratios were elevated in chicks but not adults. This study shows that trenbolone acetate is teratogenic and immunotoxic in Japanese quail, and provides evidence that the quail immune system may be fairly resilient to embryonic endocrine-disrupting chemical-induced alterations following no further exposure posthatch.

  12. Methylprednisolon acetate in the management of

    N. Khaci, M.D.


    Full Text Available AbstractBackground and Purpose: Acute renal colic is a common complaint from patients entering the emergency departments. Although, urethral lithotripsy and extracorporeal shock wave lithotripsy are known to be effective, the role of medical-expulsive therapy for the treatment of this disease has not yet been established. This study assessed the clinical efficacy of addition methylprednisolon acetate in the medical-expulsive therapy of distal ureterolithiasis.Materials and Methods: Eighty five (85 consecutive patients with a symptomatic distal urethral stone were included in our study and randomized to one of two home treatment groups. Group A patients (n = 45 received tramadol (50mg bid and hydrochlorothiazide (50 mg daily for 21 days, and group B patients (n = 40 were treated with a corticosteroid drug (methylprednisolon acetate 40mg intra-muscular on 0, 7 and 14 days after treatment, in addition to tramadol and hydrochlorothiazide. The treatment duration was 21 days. All patients were re-evaluated after 21days with a clinical examination and KUB.Results: The mean stone size was 5.2mm and 5.8mm in groups A and B respectively (P value>0.05. Both groups had a significant difference in expulsion rate (20(44.4% for group A and 32 (88% for group B; (P value<0.001.Conclusion: Our results suggest that the use of a corticosteroid drug in association with tramadol and hydro-cholorothiazid appeared to induce an increase in the expulsion ra

  13. Adsorption Behaviour of Benzoic Acid in Water on Modified Bentonite%改性膨润土对水中苯甲酸的吸附

    杨健; 辛晓东; 魏琴; 杜斌


    采用氯化钠对膨润土进行钠化,与聚二甲基二烯丙基氯化铵(PDMDAAC)作用制得PDMDAAC-膨润土.经FTIR 分析,研究PDMDAAC-膨润土对水中苯甲酸的最佳吸附条件、吸附动力学及等温线拟合.结果表明:当选取吸附剂用量为0.5g,吸附时间为1h,吸附酸度为pH =4时,PDMDAAC-膨润土可吸附0.5 mmol/L的苯甲酸,其最大吸附效率可达86.57%.PDMDAAC -膨润土对苯甲酸的吸附符合拟二级动力学方程及Langmuir型等温曲线.%Using sodium modified bentonite and polydimethydiallylammonium chloride, we prepared polydimethydiallylammonium chloride-bentonite ( PDMDAAC-bentonite) via exchange reaction and analyzed it by FTTR. The adsorption behavior of benzoic acid by PDMDAAC-bentonite was studied,and the best experimental conditions were investigated. Experimental results show that PDMDAAC-bentonite can adsorb 0.5 mmol/L benzoic acid with the maximal removal efficiency of 86. 57% under the optimial conditons of 0. 5 g sorbent,1 h adsorption time and pH =4. The adsorption kinetic data of benzoic acid by PDMDAAC-bentonite fitts the pseudo-second-order model well, and its adsorption isotherm meets with Langmuir adsorption model.

  14. Antioxidant and Antitumor Effect of Different Fractions of Ethyl Acetate Part from Elaeagnus angustifolia L.

    Wang Ya


    Full Text Available To determine antitumor and antioxidant activities of the different fractions of ethyl acetate of Elaeagnus angustifolia L. extract, the MTT assay, the DPPH scavenging assay and the reducing power method were used. The results showed that as the concentration and the polarity were increasing, the antioxidant activity of the different fractions of ethyl acetate of Elaeagnus angustifolia L. extract was increased. The DPPH scavenging of the E and F fractions was 94.9%. The antitumor assay showed that the different fractions of ethyl acetate of Elaeagnus angustifolia L. exhibited the inhibition of the in vitro cultured Hela cell proliferation properties. During the first 48 h, there was a dependant relation of inhibition effect and the concentration and the polarity. The higher the concentration and the polarity, the stronger the inhibition effect was. The inhibition rate was 74.34% when the concentration of F faction was 2.5 mg/mL.

  15. The lifespan-promoting effect of acetic acid and Reishi polysaccharide.

    Chuang, Ming-Hong; Chiou, Shyh-Horng; Huang, Chun-Hao; Yang, Wen-Bin; Wong, Chi-Huey


    Using Caenorhabditis elegans as a model organism, various natural substances and commercial health-food supplements were screened to evaluate their effects on longevity. Among the substances tested, acetic acid and Reishi polysaccharide fraction 3 (RF3) were shown to increase the expression of the lifespan and longevity-related transcription factor DAF-16 in C. elegans. We have shown that RF3 activates DAF-16 expression via TIR-1 receptor and MAPK pathway whereas acetic acid inhibits the trans-membrane receptor DAF-2 of the insulin/IGF-1 pathway to indirectly activate DAF-16 expression. In addition, a mixture of acetic acid and RF3 possesses a combined effect 30-40% greater than either substance used alone. A proteomic analysis of C. elegans using 2-DE and LC-MS/MS was then carried out, and 15 differentially expressed proteins involved in the lifespan-promoting activity were identified.

  16. Anion release and uptake kinetics: structural changes of layered 2-dimensional ZnNiHN upon uptake of acetate and chlorinated acetate anions.

    Machingauta, Cleopas; Hossenlopp, Jeanne M


    X-ray diffraction and UV-vis spectroscopy were used for the investigation of ion exchange reaction kinetics of nitrates with acetate (Ac), chloro acetate (ClAc), dichloro acetate (dClAc) and trichloro acetate (tClAc) anions, using zinc nickel hydroxy nitrate (ZnNiHN) as the exchange precursor. The exchange reactions conducted at 24, 30, 40 and 50°C revealed that rate constants were inversely related to the calculated anion electronic spatial extent (ESE), while a direct relationship between rate constants and the average oxygen charges was observed. Temporal solid phase structural transformations were shown to be affected by the nature of the guest anions. The amount of nitrates released into solution has been shown to decrease as the guest anions became more chlorinated. Use of isoconversional approach revealed that activation energies changed significantly with α during dClAc intercalation than for the other anions. The topotactic intercalation of the guest anions, except dClAc, followed the Avrami-Erofe'ev kinetic model for the entire reaction progress.

  17. Critical phenomena in ethylbenzene oxidation in acetic acid solution at high cobalt(II) concentrations

    Gavrichkov, AA; Zakharov, [No Value


    Critical phenomena in ethylbenzene oxidation in an acetic acid solution at high cobalt(ill) concentrations (from 0.01 to 0.2 mol L-1) were studied at 60-90 degrees C by the gasometric (O-2 absorption), spectrophotometric (Co-III accumulation), and chemiluminescence (relative concentration of radical

  18. Oxygen relieves the CO2 and acetate dependency of Lactobacillus johnsonii NCC 533

    Hertzberger, R.Y.; Pridmore, R.D.; Gysler, C.; Kleerebezem, M.; Teixeira de Mattos, M.J.


    Oxygen relieves the CO2 and acetate dependency of Lactobacillus johnsonii NCC 533. The probiotic Lactobacillus johnsonii NCC 533 is relatively sensitive to oxidative stress; the presence of oxygen causes a lower biomass yield due to early growth stagnation. We show however that oxygen can also be

  19. Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.

    Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia


    A mild and efficient Rh(III)-catalyzed C-H activation/esterification reaction for the synthesis of isocoumarins has been developed. This procedure uses readily available benzoic acids and cyclic diazo-1,3-diketones as starting materials and involves domino intermolecular C-H activation in combination with intramolecular esterification to give the corresponding isocoumarins in moderate to excellent yields. This process provides a facile approach for the construction of isocoumarins containing various functional groups that does not require any additives.

  20. Synthesis and Protective Effect of New Ligustrazine-Benzoic Acid Derivatives against CoCl2-Induced Neurotoxicity in Differentiated PC12 Cells

    Haimin Lei


    Full Text Available A series of novel ligustrazine-benzoic acid derivatives were synthesized and evaluated for their protective effect against cobalt chloride-induced neurotoxicity in differentiated PC12 cells. Combining hematoxylin and eosin staining, we found compound that (3,5,6-trimethylpyrazin-2-ylmethyl 3-methoxy-4-[(3,5,6-trimethylpyrazin-2-ylmethoxy]benzoate (4a displayed promising protective effect on the proliferation of the injured PC12 cells (EC50 = 4.249 µM. Structure-activity relationships are briefly discussed.

  1. 布洛芬混悬液中苯甲酸测定方法的建立%Establishment of Determination Method for Benzoic in Ibuprofen Suspension

    杨武军; 刘雪峰


    目的::建立布洛芬混悬液中苯甲酸的HPLC检测方法。方法:采用Kromasil C18色谱柱(250 mm ×4.6 mm,5μm),以0.05 mol·L-1磷酸二氢钾-乙腈(72∶28)为流动相,检测波长为235 nm,柱温为30℃,进样量为10μl。结果:苯甲酸检出限为3.57 ng,在12.5~200.0μg·ml-1浓度范围内线性关系良好(r=0.9999),供试品溶液在24 h内稳定,平均回收率为98.42%, RSD为0.98%(n=9)。结论:该方法操作简便,重复性好,检测结果准确,能更好地检测布洛芬混悬液中防腐剂的含量。%Objective:To establish a method to determine benzoic in ibuprofen suspension. Methods:The determination of ben-zoic was performed on a Kromasil C18 (250 mm × 4. 6 mm, 5 μm) column with the mobile phase consisting of 0. 05 mol·L-1 monopo-tassium phosphate and acetonitrile (72 ∶28). The detection wavelength was 235 nm and the column temperature was 30℃. The injec-tion volume was 10μl. Results:The limit of detection was 3. 57 ng and benzoic had a good linear relationship within the range of 12. 5-200. 0 μg·ml-1(r=0. 999 9). The solution was stable in 24 hours. The average recovery was 98. 42% and RSD was 0. 98% (n=9) . Conclusion:The method is simple, repeatable and accurate, and can be used for the determination of benzoic in ibuprofen sus-pension.

  2. 4-[(E-(5-tert-Butyl-2-hydroxyphenyldiazenyl]benzoic acid benzene hemisolvate

    Edward R. T. Tiekink


    Full Text Available The title benzene hemisolvate, C17H18N2O3·0.5C6H6, features an essentially planar (the r.m.s. deviation of the non-H atoms, excluding methyl-C, is 0.071 Å diazo molecule with an E conformation about the N=N bond, and a half-molecule of benzene disposed about a centre of inversion. The dihedral angle formed between the benzene rings of the diazo molecule is 7.69 (12°. In the crystal, centrosymmetrically related dimers associate via the eight-membered carboxylic acid dimer synthon, {...HOC(=O}2, and these are connected into a supramolecular chain along the b axis via C—H...O contacts.

  3. Genetic dissection of acetic acid tolerance in Saccharomyces cerevisiae.

    Geng, Peng; Xiao, Yin; Hu, Yun; Sun, Haiye; Xue, Wei; Zhang, Liang; Shi, Gui-Yang


    Dissection of the hereditary architecture underlying Saccharomyces cerevisiae tolerance to acetic acid is essential for ethanol fermentation. In this work, a genomics approach was used to dissect hereditary variations in acetic acid tolerance between two phenotypically different strains. A total of 160 segregants derived from these two strains were obtained. Phenotypic analysis indicated that the acetic acid tolerance displayed a normal distribution in these segregants, and suggested that the acetic acid tolerant traits were controlled by multiple quantitative trait loci (QTLs). Thus, 220 SSR markers covering the whole genome were used to detect QTLs of acetic acid tolerant traits. As a result, three QTLs were located on chromosomes 9, 12, and 16, respectively, which explained 38.8-65.9 % of the range of phenotypic variation. Furthermore, twelve genes of the candidates fell into the three QTL regions by integrating the QTL analysis with candidates of acetic acid tolerant genes. These results provided a novel avenue to obtain more robust strains.

  4. Effect of medroxyprogesterone acetate (Provera) on ovarian radiosensitivity

    Jarrell, J.; YoungLai, E.V.; McMahon, A.; Barr, R.; O' Connell, G.; Belbec, L.


    Medroxyprogesterone acetate (Provera) is a drug that is commonly given to young women with cancer during chemotherapy and radiation to control heavy bleeding associated with anovulation. Because hypothalamic-pituitary-ovarian suppression has been associated with ovarian protection from the effects of chemotherapy and medroxyprogesterone acetate has been identified as a radiosensitizing agent, we explored the effects of medroxyprogesterone acetate on a rat model with known radiation injury characteristics. Sprague-Dawley rats were treated with medroxyprogesterone acetate or vehicle from day 22 to day 37 of life and were either irradiated or sham-irradiated on day 30 of life and then killed on day 44. Radiation with medroxyprogesterone acetate administration produced a greater loss in preantral and healthy control follicles than in control follicles. No suppression of luteinizing hormone or follicle-stimulating hormone had occurred by day 30 but ovarian glutathione content was reduced. These findings indicate that the administration of medroxyprogesterone acetate with radiotherapy may enhance ovarian injury.

  5. Fermentation characteristics of Fusarium oxysporum grown on acetate

    Panagiotou, Gianni; Pachidou, Fotini; Petroutsos, Dimitris


    In this study, the growth characteristics of Fusarium oxysporum were evaluated in minimal medium using acetate or different mixtures of acetate and glucose as carbon source. The minimum inhibitory concentration (MIC) of acetic acid that F oxysporum cells could tolerate was 0.8% w/v while glucose...... of succinate-propionate pathway which consumes reducing power (NADH) via conversion of succinate to propionyl-CoA and produce propionate. (C) 2008 Elsevier Ltd. All rights reserved....

  6. Leuprorelin Acetate in Prostate Cancer: a European Update

    Persad R


    This review provides an update on leuprorelin acetate, the world's most widely prescribed depot luteinising hormone-releasing hormone analogue. Leuprorelin acetate has been in clinical use in the palliative treatment of prostate cancer for more than 20 years, but advances continue to be made in terms of convenience and flexibility of administration, and in the incorporation of leuprorelin acetate into novel treatment regimens. The drug is administered in the form of a depot injection containi...

  7. Acetylation of barnyardgrass starch with acetic anhydride under iodine catalysis.

    Bartz, Josiane; Goebel, Jorge Tiago; Giovanaz, Marcos Antônio; Zavareze, Elessandra da Rosa; Schirmer, Manoel Artigas; Dias, Alvaro Renato Guerra


    Barnyardgrass (Echinochloa crus-galli) is an invasive plant that is difficult to control and is found in abundance as part of the waste of the paddy industry. In this study, barnyardgrass starch was extracted and studied to obtain a novel starch with potential food and non-food applications. We report some of the physicochemical, functional and morphological properties as well as the effect of modifying this starch with acetic anhydride by catalysis with 1, 5 or 10mM of iodine. The extent of the introduction of acetyl groups increased with increasing iodine levels as catalyst. The shape of the granules remained unaltered, but there were low levels of surface corrosion and the overall relative crystallinity decreased. The pasting temperature, enthalpy and other gelatinisation temperatures were reduced by the modification. There was an increase in the viscosity of the pastes, except for the peak viscosity, which was strongly reduced in 10mM iodine.

  8. Liquid phase ozonation of cyclohexanol using acetic acid as solvent

    Encinar, J.M.; Beltran, F.J. (Departamento de Ingeneria Quimica y Energetica. Facultad de Ciencias. Badajoz (Spain)); Frades, J.M. (Departamento de Ingenieria Quimica. E.U.P. Almaden (Spain))


    The liquid phase oxidation of cyclohexanol in an acetic acid medium using a mixture of oxygen and ozone has been studied in a laboratory semi batch reactor. The influence of temperature, ozone partial pressure, initial concentration of cyclohexanol on its conversion and yield and distribution of products has been observed. Under the experimental conditions investigated formation of peroxydic compounds and mono basic acids was not relevant; the major products obtained were cyclohexanone and adipic and glutaric acids although analytical chromatograms revealed the presence of other products unidentified. Formation of these products is qualitatively explained by means of a chain-radical mechanism. Finally, it is proposed an empirical kinetic equation which relates the variables mentioned above with the reaction rates. This equation reproduces the experimental results with deviations less than 10%. (Author) 21 refs.

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

    Mata-Segreda, Julio F


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

  10. Acetate metabolism does not reflect astrocytic activity, contributes directly to GABA synthesis, and is increased by silent information regulator 1 activation.

    Rowlands, Benjamin D; Klugmann, Matthias; Rae, Caroline D


    [(13) C]Acetate is known to label metabolites preferentially in astrocytes rather than neurons and it has consequently been used as a marker for astrocytic activity. Recent discoveries suggest that control of acetate metabolism and its contributions to the synthesis of metabolites in brain is not as simple as first thought. Here, using a Guinea pig brain cortical tissue slice model metabolizing [1-(13) C]D-glucose and [1,2-(13) C]acetate, we investigated control of acetate metabolism and the degree to which it reflects astrocytic activity. Using a range of [1,2-(13) C]acetate concentrations, we found that acetate is a poor substrate for metabolism and will inhibit metabolism of itself and of glucose at concentrations in excess of 2 mmol/L. By activating astrocytes using potassium depolarization, we found that use of [1,2-(13) C]acetate to synthesize glutamine decreases significantly under these conditions showing that acetate metabolism does not necessarily reflect astrocytic activity. By blocking synthesis of glutamine using methionine sulfoximine, we found that significant amount of [1,2-(13) C]acetate are still incorporated into GABA and its metabolic precursors in neurons, with around 30% of the GABA synthesized from [1,2-(13) C]acetate likely to be made directly in neurons rather than from glutamine supplied by astrocytes. Finally, to test whether activity of the acetate metabolizing enzyme acetyl-CoA synthetase is under acetylation control in the brain, we incubated slices with the AceCS1 deacetylase silent information regulator 1 (SIRT1) activator SRT 1720 and showed consequential increased incorporation of [1,2-(13) C]acetate into metabolites. Taken together, these data show that acetate metabolism is not directly nor exclusively related to astrocytic metabolic activity, that use of acetate is related to enzyme acetylation and that acetate is directly metabolized to a significant degree in GABAergic neurons. Changes in acetate metabolism should be

  11. Glatiramer Acetate-associated Refractory Immune Thrombocytopenic Purpura

    Iftach Sagy


    Full Text Available We present a case of glatiramer acetate-associated refractory immune thrombocytopenic purpura (ITP in a female patient with multiple sclerosis. A search of MEDLINE/PubMed did not find any connection between glatiramer acetate and thrombocytopenia, specifically ITP. The autoimmune reaction was resistant to conservative ITP treatment, and was eventually managed only by splenectomy. To the best of our knowledge, this is the first report of glatiramer acetate-associated ITP. Physicians should be aware of this condition, and consider performing routine blood counts at the beginning of glatiramer acetate treatment.

  12. Omics analysis of acetic acid tolerance in Saccharomyces cerevisiae.

    Geng, Peng; Zhang, Liang; Shi, Gui Yang


    Acetic acid is an inhibitor in industrial processes such as wine making and bioethanol production from cellulosic hydrolysate. It causes energy depletion, inhibition of metabolic enzyme activity, growth arrest and ethanol productivity losses in Saccharomyces cerevisiae. Therefore, understanding the mechanisms of the yeast responses to acetic acid stress is essential for improving acetic acid tolerance and ethanol production. Although 329 genes associated with acetic acid tolerance have been identified in the Saccharomyces genome and included in the database ( ), the cellular mechanistic responses to acetic acid remain unclear in this organism. Post-genomic approaches such as transcriptomics, proteomics, metabolomics and chemogenomics are being applied to yeast and are providing insight into the mechanisms and interactions of genes, proteins and other components that together determine complex quantitative phenotypic traits such as acetic acid tolerance. This review focuses on these omics approaches in the response to acetic acid in S. cerevisiae. Additionally, several novel strains with improved acetic acid tolerance have been engineered by modifying key genes, and the application of these strains and recently acquired knowledge to industrial processes is also discussed.

  13. A pharmacokinetic study of roxatidine acetate in chronic renal failure.

    Lameire, N; Rosenkranz, B; Maass, L; Brockmeier, D


    The pharmacokinetics of a single oral dose of roxatidine acetate 150 mg were studied in 31 patients with varying degrees of chronic renal failure. The patients were divided into 5 groups according to their creatinine clearance (Clcr): controls (Clcr 94.5 +/- 13.9 ml/min; n = 6); mild chronic renal failure (Clcr 47 +/- 6 ml/min; n = 4); moderate chronic renal failure (Clcr 27.3 +/- 3.1 ml/min; n = 4); severe chronic renal failure (Clcr 12.8 +/- 1.4 ml/min; n = 5) and uraemia (Clcr 6.6 +/- 0.6 ml/min; n = 12). Serum and urine samples were analysed with capillary gas chromatography to measure the salt of the desacetyl metabolite of roxatidine acetate (roxatidine). The terminal half-life was 6.02 +/- 0.31 hours in controls and 7.35 +/- 0.57, 9.3 +/- 0.83, 14.6 +/- 3.7 and 18.10 +/- 2.77 hours, respectively, in the 4 other groups, with progressively decreasing creatinine clearance. Maximum serum concentration and time to maximum serum concentration rose from 816 +/- 75 ng/ml and 2.08 +/- 0.22 hours, respectively, in controls to 1364.7 +/- 156 ng/ml and 4.05 +/- 0.47 hours, respectively, in uraemic patients. Relative total clearance progressively decreased with decreasing glomerular filtration rate (GFR) [from 353.6 +/- 26 ml/min in controls to 90.31 +/- 12.2 ml/min in patients with uraemia]. Renal clearance decreased from a control of 243.9 +/- 56 ml/min to 12.32 +/- 0.18 ml/min in uraemic patients. A linear correlation between creatinine clearance and both relative total clearance and renal drug clearance was noted.(ABSTRACT TRUNCATED AT 250 WORDS)

  14. 浓香型新窖酒乙酸和乙酸乙酯偏高的原因%Causes of Excessive High Acetic Acid Content and Ethyl Acetate Content in Luzhou-flavor Liquor Produced in New Pits

    饶家权; 杨徐才


    Through analysis of the fermentation of Luzhou-flavor fermented grains in new pits, the causes of excessive high content of acetic acid and ethyl acetate were revealed as follows: the structure of fermented grains in new pits and the relative techniques advanced the metabolism of relative microbes to produce acetic acid and ethyl acetate. In practice, proper technical adjustment according to season change coupled with the measures including the use of medicinal starter, oxygen regulation, temperature control, and acidity control could effectively reduce the content of acetic acid and ethyl acetate in Luzhou-flavor liquor produced in new pits. (Tran. by YUE Yang)%通过对浓香型白酒新窖糟醅发酵情况的分析,总结出新窖酒乙酸、乙酸乙酯偏高的主要原因是新窖糟醅结构和工艺促进相关微生物代谢生成乙酸和乙酸乙酯。在生产中,运用曲药、氧气调节、温度控制和酸度控制等结合季节适当的工艺系统调节,能有效降低新窖酒中乙酸、乙酸乙酯的含量。

  15. Acetic orcein staining of prefixed tissue sections.

    Reynolds, C; Lillie, R D


    Acetic orcein stains formol- and Carnoy-fixed tissues, coloring mast cells, nuclei, basophilic cytoplasm, cerebral corpora amylacea, and cartilage strongly; keratin and erythrocytes moderately; muscle and collagen weakly. Guinea pig Brunner gland and rat colonic goblet cell mucins did not stain. The red nuclear stain contrasts well with the Prussian blue reaction of hemosiderin and the ferric ferricyanide (Turnbull's blue) reaction of enterochromaffin. A weak (0.01%) fast-green FCF stain changes collagen and sometimes smooth muscle to green, without impairing nucleic acid or mast cell staining. Picroindigocarmine gives blue collagen, yellow muscle, and red elastin, nucleic acids and mast cells. Picro-methyl blue tends to override the red nuclear stain. Carnoy fixation is somewhat better for nuclei, formol for basophil cytoplasms.

  16. Unsuccessful treatment of acromegaly with medroxyprogesterone acetate.

    Atkinson, R L; Dimond, R C; Howard, W J; Earll, J M


    6 patients with active acromegaly were treated with 10 mg of medroxyprogesterone acetate (MPA) every 6 hours daily for 2 weeks to 6 months. Oral glucose tolerance tests, growth hormone (GH) levels, and insulin tolerance tests (ITT) were done before and during MPA treatment. Basal GH levels varied widely during control and therapy periods; no significant lowering of GH levels occurred during treatment. Carbohydrate tolerance was not significantly affected by MPA therapy, although 5 out of 6 patients had deterioration at least once during treatment. Blood glucose response to ITT was unchanged by MPA. MPA did not affect the clinical features of acromegaly. There was no consistent effect of MPA on insulin-induced or arginine-induced GH secretion. It is concluded that MPA is not an effective agent for treating acromegaly.

  17. Cytoprotective action of roxatidine acetate HCl.

    Shiratsuchi, K; Fuse, H; Hagiwara, M; Mikami, T; Miyasaka, K; Sakuma, H


    The cytoprotective action of roxatidine acetate HCl (roxatidine) was investigated. We also studied the involvement of endogenous prostaglandins (PGs) in the cytoprotective action of roxatidine and the effect of roxatidine on SRS content in pleurisy induced by A23187. Simultaneously, these effects of roxatidine were compared with those of other histamine H2-receptor antagonists at the same anti-secretory activity level. Roxatidine prevented formation of the gastric mucosal lesions induced by abs. ethanol, 0.6 N HCl and 0.2 N NaOH, but it failed to prevent 30% NaCl-induced gastric mucosal lesions. Cimetidine, ranitidine and famotidine failed to prevent formation of the gastric mucosal lesions induced by necrotizing agents. The cytoprotective action of roxatidine was not abolished by pretreatment with indomethacin. Roxatidine did not greatly influence SRS production. Consequently, it appears that roxatidine has a cytoprotective action and that this action is not associated with endogenous PGs and SRS.

  18. Emergency contraception: potential role of ulipristal acetate

    Kristina Gemzell-Danielsson


    Full Text Available Kristina Gemzell-Danielsson, Chun-Xia MengDepartment of Women’s and Children’s Health, Division of Obstetrics and Gynecology, Karolinska Institutet, Stockholm, SwedenAbstract: Unintended pregnancy is a global reproductive health problem. Emergency contraception (EC provides women with a safe means of preventing unwanted pregnancies after having unprotected intercourse. While 1.5 mg of levonorgestrel (LNG as a single dose or in 2 doses with 12 hours apart is the currently gold standard EC regimen, a single dose of 30 mg ulipristal acetate (UPA has recently been proposed for EC use up to 120 hours of unprotected intercourse with similar side effect profiles as LNG. The main mechanism of action of both LNG and UPA for EC is delaying or inhibiting ovulation. However, the ‘window of effect’ for LNG EC seems to be rather narrow, beginning after selection of the dominant follicular and ending when luteinizing hormone peak begins to rise, whereas UPA appears to have a direct inhibitory effect on follicular rupture which allows it to be also effective even when administered shortly before ovulation, a time period when use of LNG is no longer effective. These experimental findings are in line with results from a series of clinical trials conducted recently which demonstrate that UPA seems to have higher EC efficacy compared to LNG. This review summarizes some of the data available on UPA used after unprotected intercourse with the purpose to provide evidence that UPA, a new type of second-generation progesterone receptor modulator, represents a new evolutionary step in EC treatment.Keywords: emergency contraception, ulipristal acetate, levonorgestrel

  19. Search for genes responsible for the remarkably high acetic acid tolerance of a Zygosaccharomyces bailii-derived interspecies hybrid strain.

    Palma, Margarida; Roque, Filipa de Canaveira; Guerreiro, Joana Fernandes; Mira, Nuno Pereira; Queiroz, Lise; Sá-Correia, Isabel


    Zygosaccharomyces bailii is considered the most problematic acidic food spoilage yeast species due to its exceptional capacity to tolerate high concentrations of weak acids used as fungistatic preservatives at low pH. However, the mechanisms underlying its intrinsic remarkable tolerance to weak acids remain poorly understood. The identification of genes and mechanisms involved in Z. bailii acetic acid tolerance was on the focus of this study. For this, a genomic library from the highly acetic acid tolerant hybrid strain ISA1307, derived from Z. bailii and a closely related species and isolated from a sparkling wine production plant, was screened for acetic acid tolerance genes. This screen was based on the transformation of an acetic acid susceptible Saccharomyces cerevisiae mutant deleted for the gene encoding the acetic acid resistance determinant transcription factor Haa1. The expression of 31 different DNA inserts from ISA1307 strain genome was found to significantly increase the host cell tolerance to acetic acid. The in silico analysis of these inserts was facilitated by the recently available genome sequence of this strain. In total, 65 complete or truncated ORFs were identified as putative determinants of acetic acid tolerance and an S. cerevisiae gene homologous to most of them was found. These include genes involved in cellular transport and transport routes, protein fate, protein synthesis, amino acid metabolism and transcription. The role of strong candidates in Z. bailii and S. cerevisiae acetic acid tolerance was confirmed based on homologous and heterologous expression analyses. ISA1307 genes homologous to S. cerevisiae genes GYP8, WSC4, PMT1, KTR7, RKR1, TIF3, ILV3 and MSN4 are proposed as strong candidate determinants of acetic acid tolerance. The ORF ZBAI_02295 that contains a functional domain associated to the uncharacterised integral membrane proteins of unknown function of the DUP family is also suggested as a relevant tolerance determinant

  20. Antioxidant and Cytotoxicity of β-Amyrin acetate fraction fromBridelia ferruginea Leaves

    Oluwatoyin Adenike FABIYI; Olubunmi ATOLANI; Oluyomi S ADEYEMI; Gabriel Ademola OLATUNJI


    Objective: The objective of this work was to determine the beta-amyrin acetate fraction in leave extract of Bridelia ferruginea and evaluate for its antioxidant and cytotoxicity potentials. Methods: The dried and pulverized leaves of Bridelia ferruginea was extracted with hexane and then with ethyl acetate. The concentrated ethylacetate extract subjected to silica gel column chromatography and eluted with a mixture of equal volume of hexane and dichloromethane afforded two major fractions. The more polar fraction was concentrated and subjected to GCMS analysis which afforded the steroid, 12-Oleanen-3yl acetate commonly known as beta-amyrin acetate (66.14%). Its ability to act as a scavenger of DPPH radical and its cytotoxicity potential based on brine shrimp assay were investigated. Results: The DPPH antioxidant assay revealed that the fraction had a higher antioxidant potential with an IC50 value of 158.2μg/mL relative to gallic acid which had IC50 of 201.1 μg/mL. The cytotoxicity assay using the brine shrimp a gave LC50 values of 319 and 5.86 μg/mL for acute and lethal doses respectively indicating extreme toxicity when compared to reference drug, cyclophosphamide which had LC50 value of 2506 μg/mL. Conclusions: Thus, the beta-amyrin acetate has been identified for the first time in the leave of Bridelia ferruginea. The data here suggest that the beta-amyrin acetate fraction of the leave of Bridelia ferruginea could be further explored in biological profiling requiring antioxidant and cytotoxic dependent therapeutics as the plant could be a viable source of antioxidant and cytotoxic agents in cancer chemotherapy in the near future.

  1. Acetate supplementation as a means of inducing glioblastoma stem-like cell growth arrest.

    Long, Patrick M; Tighe, Scott W; Driscoll, Heather E; Fortner, Karen A; Viapiano, Mariano S; Jaworski, Diane M


    Glioblastoma (GBM), the most common primary adult malignant brain tumor, is associated with a poor prognosis due, in part, to tumor recurrence mediated by chemotherapy and radiation resistant glioma stem-like cells (GSCs). The metabolic and epigenetic state of GSCs differs from their non-GSC counterparts, with GSCs exhibiting greater glycolytic metabolism and global hypoacetylation. However, little attention has been focused on the potential use of acetate supplementation as a therapeutic approach. N-acetyl-l-aspartate (NAA), the primary storage form of brain acetate, and aspartoacylase (ASPA), the enzyme responsible for NAA catalysis, are significantly reduced in GBM tumors. We recently demonstrated that NAA supplementation is not an appropriate therapeutic approach since it increases GSC proliferation and pursued an alternative acetate source. The FDA approved food additive Triacetin (glyceryl triacetate, GTA) has been safely used for acetate supplementation therapy in Canavan disease, a leukodystrophy due to ASPA mutation. This study characterized the effects of GTA on the proliferation and differentiation of six primary GBM-derived GSCs relative to established U87 and U251 GBM cell lines, normal human cerebral cortical astrocytes, and murine neural stem cells. GTA reduced proliferation of GSCs greater than established GBM lines. Moreover, GTA reduced growth of the more aggressive mesenchymal GSCs greater than proneural GSCs. Although sodium acetate induced a dose-dependent reduction of GSC growth, it also reduced cell viability. GTA-mediated growth inhibition was not associated with differentiation, but increased protein acetylation. These data suggest that GTA-mediated acetate supplementation is a novel therapeutic strategy to inhibit GSC growth.

  2. 苯甲酸溶解度的测定及关联%Measurement and Correlation of Solubilities of Benzoic Acid in Different Solvents

    刘江刍鸟; 李殿卿; 刘大壮; 陈忠民; 田洪河


    Using a laser monitoring observation technique,the solubilities of benzoic acid in trichloromethane,N,N-dimethylformamide,N,N-dimethylacetamide and N-Methyl-2-pyrrolidonewere,which has never been seen in literatures before,are determined by the synthetic method.To verify the reliability of the experimental method,the solubility of benzoic acid in water was measured before the experiments,which shows excellent consistency with the literature data.By means of Apelblat's solubility model to correlate the experimental results,the calculated solubilities show good agreement with the experimental values.%为了回收、提纯PTA氧化残渣中的苯甲酸,采用激光监视技术由合成法测定了鲜见文献报道的苯甲酸在氯仿、N,N-二甲基甲酰胺、N,N-二甲基乙酰胺、N-甲基吡咯烷酮中的溶解度.为了验证测定方法的可靠性,事先测定了苯甲酸在水、醋酸中的溶解度,与已有文献数据相比,一致性较好.用Apelblat等人提出的溶解度模型对实验数据进行关联,计算的溶解度与实验值符合良好.

  3. Effect of manganese and potassium addition on CeO2-Al2O3 catalyst for hydrogenation of benzoic acid to benzaldehyde

    CHENG; Dangguo; HOU; Chunyang; CHEN; Fengqiu; ZHAN; Xiaol


    A series of Mn/CeO2-Al2O3 and K/CeO2-Al2O3 catalysts for hydrogenation of benzoic acid to benzaldehyde were prepared to in-vestigate the effect of Mn, K addition on CeO2-Al2O3 catalyst. X-ray diffraction (XRD) and H2-temperature-programmed reduction (H2-TPR) results suggested that the interaction between CeO2 and MnOx enhanced the reducibility of catalysts and therefore benzoic acid conversion.The addition of K increased the number of basic number on the catalyst which leads to a high selectivity to benzaldehyde, but excessive addition imposed negative effects on the catalyst performance. A Mn-K/CeO2Al2O3 catalyst was developed and investigated in the reaction. The simul-taneous addition of Mn and K enhanced not only the catalytic activity but also the capacity to resist the coke formation over catalyst.

  4. Nano-composite polymer gel electrolytes containing ortho-nitro benzoic acid: role of dielectric constant of solvent and fumed silica

    Kumar, R.


    In this paper, nano-composite polymer gel electrolytes containing polymethylmethacrylate, dimethylacetamide, diethyl carbonate, fumed silica and ortho-nitro benzoic acid have been synthesized. Electrical conductivity, viscosity, pH and thermal behavior of these electrolytes have been studied. The effect of acid, polymer, fumed silica concentration on conductivity, pH and viscosity has been discussed. The effect of dielectric constant of solvent on conductivity behavior of composite polymer gel electrolytes has also been studied. Two maxima in conductivity behavior have been observed with fumed silica concentration for composite polymer gel electrolytes, which have been explained on the basis of double percolation threshold model. Maximum conductivity of 3.20 × 10-4 and 2.46 × 10-6 S/cm at room temperature has been observed for nano-composite polymer gel electrolytes containing 10 wt% polymethylmethacrylate in 1 M solution of o-nitro benzoic acid in dimethylacetamide and diethyl carbonate respectively. The intensity of first maximum observed in conductivity at low concentration of fumed silica has been found to decrease with the decrease in acid concentration for composite polymer gel electrolytes, while the intensity of second maximum at higher fumed silica concentration remains unaffected. The conductivity of composite gels does not show much change in the temperature range of 20-100 °C and also remains constant with time, making them suitable for use as electrolytes in various devices like fuel cells, proton batteries, electrochromic window applications etc.

  5. Investigation of the formation of benzoyl peroxide, benzoic anhydride, and other potential aerosol products from gas-phase reactions of benzoylperoxy radicals

    Strollo, Christen M.; Ziemann, Paul J.


    The secondary organic aerosol (SOA) products of the reaction of benzaldehyde with Cl atoms and with OH radicals in air in the absence of NOx were investigated in an environmental chamber in order to better understand the possible role of organic peroxy radical self-reactions in SOA formation. SOA products and authentic standards were analyzed using mass spectrometry and liquid chromatography, and results show that the yields of benzoyl peroxide (C6H5C(O)OO(O)CC6H5) and benzoic anhydride (C6H5C(O)O(O)CC6H5), two potential products from the gas-phase self-reaction of benzoylperoxy radicals (C6H5C(O)OO·), were less than 0.1%. This is in contrast to results of recent studies that have shown that the gas-phase self-reactions of β-nitrooxyperoxy radicals formed from reactions of isoprene with NO3 radicals form dialkyl peroxides that contribute significantly to gas-phase and SOA products. Such reactions have also been proposed to explain the gas-phase formation of extremely low volatility dimers from autooxidation of terpenes. The results obtained here indicate that, at least for benzoylperoxy radicals, the self-reactions form only benzoyloxy radicals. Analyses of SOA composition and volatility were inconclusive, but it appears that the SOA may consist primarily of oligomers formed through heterogeneous/multiphase reactions possibly involving some combination of phenol, benzaldehyde, benzoic acid, and peroxybenzoic acid.

  6. Oxidation of indole-3-acetic acid to oxindole-3-acetic acid by an enzyme preparation from Zea mays

    Reinecke, D. M.; Bandurski, R. S.


    Indole-3-acetic acid is oxidized to oxindole-3-acetic acid by Zea mays tissue extracts. Shoot, root, and endosperm tissues have enzyme activities of 1 to 10 picomoles per hour per milligram protein. The enzyme is heat labile, is soluble, and requires oxygen for activity. Cofactors of mixed function oxygenase, peroxidase, and intermolecular dioxygenase are not stimulatory to enzymic activity. A heat-stable, detergent-extractable component from corn enhances enzyme activity 6- to 10-fold. This is the first demonstration of the in vitro enzymic oxidation of indole-3-acetic acid to oxindole-3-acetic acid in higher plants.

  7. Oxidation of indole-3-acetic acid to oxindole-3-acetic acid by an enzyme preparation from Zea mays

    Reinecke, D. M.; Bandurski, R. S.


    Indole-3-acetic acid is oxidized to oxindole-3-acetic acid by Zea mays tissue extracts. Shoot, root, and endosperm tissues have enzyme activities of 1 to 10 picomoles per hour per milligram protein. The enzyme is heat labile, is soluble, and requires oxygen for activity. Cofactors of mixed function oxygenase, peroxidase, and intermolecular dioxygenase are not stimulatory to enzymic activity. A heat-stable, detergent-extractable component from corn enhances enzyme activity 6- to 10-fold. This is the first demonstration of the in vitro enzymic oxidation of indole-3-acetic acid to oxindole-3-acetic acid in higher plants.

  8. Liquid-Liquid equilibria of the water-acetic acid-butyl acetate system

    E. Ince


    Full Text Available Experimental liquid-liquid equilibria of the water-acetic acid-butyl acetate system were studied at temperatures of 298.15± 0.20, 303.15± 0.20 and 308.15± 0.20 K. Complete phase diagrams were obtained by determining solubility and tie-line data. The reliability of the experimental tie-line data was ascertained by using the Othmer and Tobias correlation. The UNIFAC group contribution method was used to predict the observed ternary liquid-liquid equilibrium (LLE data. It was found that UNIFAC group interaction parameters used for LLE did not provide a good prediction. Distribution coefficients and separation factors were evaluated for the immiscibility region.

  9. A double-blind placebo controlled trial of medroxyprogesterone acetate and cyproterone acetate with seven pedophiles.

    Cooper, A J; Sandhu, S; Losztyn, S; Cernovsky, Z


    Seven of ten pedophiles in hospital completed a double-blind, placebo-controlled two-dose comparison of medroxyprogesterone acetate and cyproterone acetate. Sequential measures during the 28 week study were: patient self-reports, nurses' observations, phallometry, hormone levels and side-effects. The drugs, which performed equivalently, reduced sexual thoughts and fantasies, the frequency of early morning erections on awakening, the frequency and pleasure of masturbation, and level of sexual frustration. Penile responses were also reduced but to a lesser degree and were more variable. Serum testosterone FSH and LH all declined during drug administration, but by the end of the final placebo phase had essentially returned to (or exceeded) pre-drug values. Our experience suggests that only a minority of pedophiles are likely to accept libido-reducing drugs.

  10. APMP.QM-S8: determination of mass fraction of benzoic acid, methyl paraben and n-butyl paraben in soy sauce

    Teo, Tang Lin; Gui, Ee Mei; Lu, Ting; Sze Cheow, Pui; Giannikopoulou, Panagiota; Kakoulides, Elias; Lampi, Evgenia; Choi, Sik-man; Yip, Yiu-chung; Chan, Pui-kwan; Hui, Sin-kam; Wollinger, Wagner; Carvalho, Lucas J.; Garrido, Bruno C.; Rego, Eliane C. P.; Ahn, Seonghee; Kim, Byungjoo; Li, Xiuqin; Guo, Zhen; Styarini, Dyah; Aristiawan, Yosi; Putri Ramadhaningtyas, Dillani; Aryana, Nurhani; Ebarvia, Benilda S.; Dacuaya, Aaron; Tongson, Alleni; Aganda, Kim Christopher; Junvee Fortune, Thippaya; Tangtrirat, Pradthana; Mungmeechai, Thanarak; Ceyhan Gören, Ahmet; Gündüz, Simay; Yilmaz, Hasibe


    The supplementary comparison APMP.QM-S8: determination of mass fraction of benzoic acid, methyl paraben and n-butyl paraben in soy sauce was coordinated by the Health Sciences Authority, Singapore under the auspices of the Organic Analysis Working Group (OAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM). Ten national metrology institutes (NMIs) or designated institutes (DIs) participated in the comparison. All the institutes participated in the comparison for benzoic acid, while six NMIs/DIs participated in the comparison for methyl paraben and n-butyl paraben. The comparison was designed to enable participating institutes to demonstrate their measurement capabilities in the determination of common preservatives in soy sauce, using procedure(s) that required simple sample preparation and selective detection in the mass fraction range of 50 to 1000 mg/kg. The demonstrated capabilities can be extended to include other polar food preservatives (e.g. sorbic acid, propionic acid and other alkyl benzoates) in water, aqueous-based beverages (e.g. fruit juices, tea extracts, sodas, sports drinks, etc) and aqueous-based condiments (e.g. vinegar, fish sauce, etc). Liquid--liquid extraction and/or dilution were applied, followed by instrumental analyses using LC-MS/MS, LC-MS, GC-MS (with or without derivatisation) or HPLC-DAD. Isotope dilution mass spectrometry was used for quantification, except in the case of a participating institute, where external calibration method was used for quantification of all three measurands. The assigned Supplementary Comparison Reference Values (SCRVs) were the medians of ten results for benzoic acid, six results for methyl paraben and six results for n-butyl paraben. Benzoic acid was assigned a SCRV of 154.55 mg/kg with a combined standard uncertainty of 0.94 mg/kg, methyl paraben was assigned a SCRV of 100.95 mg/kg with a combined standard uncertainty of 0.40 mg/kg, and n-butyl paraben was assigned a SCRV of 99.05 mg

  11. 高效液相色谱法同时检测酸性乳饮料及冰淇淋中安赛蜜、苯甲酸、山梨酸和糖精钠含量%Determination of acesulfame, benzoic acid, sorbic and sodium saccharin in acidic milk drink and ice cream by high performance liquid chromatography

    袁凤琴; 王佳; 牛爱华; 苏美玲; 梁轶; 常建军; 宋晓东


    目的:建立酸性乳饮料及冰淇淋中安赛蜜、苯甲酸、山梨酸、糖精钠含量的高效液相色谱分析方法。方法样品去除蛋白后,用甲醇提取,提取液用高压液相色谱仪进行检测。结果安赛蜜、苯甲酸、山梨酸、糖精钠在0~100μg/kg 范围内,浓度与峰面积有良好的线性关系,相关系数大于0.999,检出限分别为2.87、0.96、0.97和2.69 mg/kg;样品的加标平均回收率分别为95.59%~104.52%、93.21%~108.05%、97.75%~107.98%和97.48%~103.67%,相对标准偏差均小于10%。结论本方法适用于酸性乳饮料及冰淇淋中安赛蜜、苯甲酸、山梨酸、糖精钠含量同时测定的需要。%Objective To establish a high performance liquid chromatography (HPLC) method for deter-mination of the content of acesulfame, benzoic acid, sorbic acid, and sodium saccharin in acidic milk and ice cream. Methods The samples were extracted with methanol after precipitating the protein, and their contents were measured by HPLC. Results There was a good linear relationship between the concentration and peak area of acesulfame, benzoic acid, sorbic acid, and saccharin sodium in the range of 0~100μg/kg , the correla-tion coefficient is greater than 0.999. The detection limit were 2.87, 0.96, 0.97, and 2.69 mg/kg, and the reco-veries were 95.59%~104.52%, 93.21%~108.05%, 97.75%~107.98%, and 97.48~103.67%, respectively, with the relative standard deviation less than 10%. Conclusion This method is suitable for the requirement of de-termination of the content of acesulfame, benzoic acid, sorbic acid and saccharin sodium in acidic milk drinks and ice cream.

  12. Trehalose accumulation enhances tolerance of Saccharomyces cerevisiae to acetic acid.

    Yoshiyama, Yoko; Tanaka, Koichi; Yoshiyama, Kohei; Hibi, Makoto; Ogawa, Jun; Shima, Jun


    Trehalose confers protection against various environmental stresses on yeast cells. In this study, trehalase gene deletion mutants that accumulate trehalose at high levels showed significant stress tolerance to acetic acid. The enhancement of trehalose accumulation can thus be considered a target in the breeding of acetic acid-tolerant yeast strains.

  13. Acetic acid assisted cobalt methanesulfonate catalysed chemoselective diacetylation of aldehydes

    Min Wang; Zhi Guo Song; Hong Gong; Heng Jiang


    Cobalt methanesulfonate in combination with acetic acid catalysed the chemoselective diacetylation of aldehyde with acetic anhydride at room temperature under solvent free conditions. After reaction, cobalt methanesulfonate can be easily recovered and mused many times. The reaction was mild and efficient with good to high yields.

  14. Acetalization of furfural with zeolites under benign reaction conditions

    Rubio-Caballeroa, Juan Miguel; Shunmugavel, Saravanamurugan; Maireles-Torres, Pedro


    Acetalization is a viable method to protect carbonyl functionalities in organic compounds and offers apotential synthetic strategy for synthesizing derived chemicals. In this work, several families of commer-cial zeolites have been employed as solid acid catalysts in the acetalization of furfural...

  15. A review of the animal pharmacology of roxatidine acetate.

    Scholtholt, J; Bickel, M; Herling, A W


    Roxatidine acetate (TZU 0460/HOE 760) [N-(3-[3-(1-piperidinylmethyl)-phenoxy]-propyl)acetoxyacetamide hydrochloride] is a specific and competitive H2-receptor antagonist with a chemical structure different from those of cimetidine, ranitidine and famotidine. Roxatidine acetate and its main metabolite roxatidine inhibit histamine-induced gastric acid secretion in vitro with a potency greater than that of cimetidine, and in the range of that produced by ranitidine. Gastric acid secretion following stimulation with dibutyryl cyclic adenosine monophosphate remains unaffected by roxatidine acetate. In vivo experiments in rats and dogs confirm these in vitro findings. Thus, in rats roxatidine acetate inhibits gastric acid secretion with similar values following intraduodenal or intraperitoneal injection, indicating excellent absorption of the drug from the gastrointestinal tract. In all studies it was shown that roxatidine acetate was more potent than cimetidine. In rats single or repeated dosing with roxatidine acetate did not influence drug metabolising enzymes in the liver nor did the drug show antiandrogenic activity in long term animal studies. Extensive general pharmacological studies with roxatidine acetate demonstrate the lack of effects on the central nervous system, on gastrointestinal motility, the autonomic nervous system and the cardiovascular and urogenital systems. Studies on the pharmacokinetics and metabolism of roxatidine acetate demonstrate that there is a presystemic deacetylation producing the main metabolite roxatidine, which is responsible for the in vivo effects of the drug.

  16. 21 CFR 522.2477 - Trenbolone acetate and estradiol.


    ... acetate and 4 mg estradiol, and 1 pellet containing 29 mg tylosin tartrate) per implant dose. (C) 200 mg... containing 29 mg tylosin tartrate) per implant dose. (F) 80 mg trenbolone acetate and 16 mg estradiol (one..., and 1 pellet containing 29 mg tylosin tartrate) per implant dose. (G) 200 milligram (mg)...

  17. Tuning selectivity of anionic cyclizations: competition between 5-exo and 6-endo-dig closures of hydrazides of o-acetylenyl benzoic acids and based-catalyzed fragmentation/recyclization of the initial 5-exo-dig products.

    Vasilevsky, Sergey F; Mikhailovskaya, Tat'yana F; Mamatyuk, Victor I; Salnikov, Georgy E; Bogdanchikov, Georgy A; Manoharan, Mariappan; Alabugin, Igor V


    Depending on the reaction conditions and the nature of substituents at the triple bond, anionic cyclizations of hydrazides of o-acetylenyl benzoic acids can be selectively directed along three alternative paths, each of which provides efficient access to a different class of nitrogen heterocycles. The competition between 5-exo and 6-endo cyclizations of the "internal" nitrogen nucleophile is controlled by the nature of alkyne substituents under the kinetic control conditions. In the presence of KOH, the initially formed 5-exo products undergo a new rearrangement that involves a ring-opening followed by recyclization to the formal 6-exo-products and rendered irreversible by a prototropic isomerization. DFT computations provide insight into the nature of factors controlling relative rates of 5-exo, 6-endo, and 6-exo cyclization paths, ascertain the feasibility of direct 6-exo closure and relative stability for the anionic precursor for this process, provide, for the first time, the benchmark data for several classes of anionic nitrogen cyclizations, and dissect stereoelectronic effects controlling relative stability of cyclic anionic intermediates and influencing reaction stereoselectivity. We show that the stability gain due transformation of a weak pi-bond into a stronger sigma-bond (the usual driving force for the cyclizations of alkynes) is offset in this case by the transformation of a stable nitrogen anion into an inherently less stable carbanionic center. As a result, the cyclizations are much more sensitive to external conditions and substituents than similar cyclizations of neutral species. However, the exothermicity of such anionic cyclizations is increased dramatically upon prototropic isomerization of the initially formed carbanions into the more stable N-anions. Such tautomerizations are likely to play the key role in driving such cyclizations to completion but may also prevent future applications of such processes as the first step in domino cyclization

  18. Fermentation of lignocellulosic sugars to acetic acid by Moorella thermoacetica.

    Ehsanipour, Mandana; Suko, Azra Vajzovic; Bura, Renata


    A systematic study of bioconversion of lignocellulosic sugars to acetic acid by Moorella thermoacetica (strain ATCC 39073) was conducted. Four different water-soluble fractions (hydrolysates) obtained after steam pretreatment of lignocellulosic biomass were selected and fermented to acetic acid in batch fermentations. M. thermoacetica can effectively ferment xylose and glucose in hydrolysates from wheat straw, forest residues, switchgrass, and sugarcane straw to acetic acid. Xylose and glucose were completely utilized, with xylose being consumed first. M. thermoacetica consumed up to 62 % of arabinose, 49 % galactose and 66 % of mannose within 72 h of fermentation in the mixture of lignocellulosic sugars. The highest acetic acid yield was obtained from sugarcane straw hydrolysate, with 71 % of theoretical yield based on total sugars (17 g/L acetic acid from 24 g/L total sugars). The lowest acetic acid yield was observed in forest residues hydrolysate, with 39 % of theoretical yield based on total sugars (18 g/L acetic acid from 49 g/L total sugars). Process derived compounds from steam explosion pretreatment, including 5-hydroxymethylfurfural (0.4 g/L), furfural (0.1 g/L) and total phenolics (3 g/L), did not inhibit microbial growth and acetic acid production yield. This research identified two major factors that adversely affected acetic acid yield in all hydrolysates, especially in forest residues: (i) glucose to xylose ratio and (ii) incomplete consumption of arabinose, galactose and mannose. For efficient bioconversion of lignocellulosic sugars to acetic acid, it is imperative to have an appropriate balance of sugars in a hydrolysate. Hence, the choice of lignocellulosic biomass and steam pretreatment design are fundamental steps for the industrial application of this process.

  19. Hydrolyses of alpha-naphthyl acetate, beta-naphthyl acetate, and acetyl-DL-phenylalanine beta-naphthyl ester

    Kirkeby, S; Moe, D


    Using simultaneous coupling azo dye techniques kidney enzymes active against alpha-naphthyl acetate, beta-naphthyl acetate, and acetyl-DL-phenylalanine beta-naphthyl ester are characterized. The enzymes show identical distribution in the section. The banding patterns in zymograms are the same after...

  20. Biological Function of Acetic Acid-Improvement in Obesity and Glucose Tolerance by Acetic Acid in Type 2 Diabetic Rats.

    Yamashita, Hiromi


    Fatty acids derived from adipose tissue are oxidized by β-oxidation to form ketone bodies as final products under the starving condition. Previously, we found that free acetic acid was formed concomitantly with the production of ketone bodies in isolated rat liver perfusion, and mitochondrial acetyl CoA hydrolase was appeared to be involved with the acetic acid production. It was revealed that acetic acid was formed as a final product of enhanced β-oxidation of fatty acids and utilized as a fuel in extrahepatic tissues under the starving condition. Under the fed condition, β-oxidation is suppressed and acetic acid production is decreased. When acetic acid was taken daily by obesity-linked type 2 diabetic Otsuka Long-Evans Tokushima Fatty (OLETF) rats under the fed condition, it protected OLETF rats against obesity. Furthermore, acetic acid contributed to protect from the accumulation of lipid in the liver as well as abdominal fat in OLETF rats. Transcripts of lipogenic genes in the liver were decreased, while transcripts of myoglobin and Glut4 genes in abdominal muscles were increased in the acetic acid-administered OLETF rats. It is indicated that exogenously administered acetic acid would have effects on lipid metabolism in both the liver and the skeletal muscles, and have function that works against obesity and obesity-linked type 2 diabetes.

  1. The effect of oral sodium acetate administration on plasma acetate concentration and acid-base state in horses

    Lindinger Michael I


    Full Text Available Abstract Aim Sodium acetate (NaAcetate has received some attention as an alkalinizing agent and possible alternative energy source for the horse, however the effects of oral administration remain largely unknown. The present study used the physicochemical approach to characterize the changes in acid-base status occurring after oral NaAcetate/acetic acid (NAA administration in horses. Methods Jugular venous blood was sampled from 9 exercise-conditioned horses on 2 separate occasions, at rest and for 24 h following a competition exercise test (CET designed to simulate the speed and endurance test of 3-day event. Immediately after the CETs horses were allowed water ad libitum and either: 1 8 L of a hypertonic NaAcetate/acetic acid solution via nasogastric tube followed by a typical hay/grain meal (NAA trial; or 2 a hay/grain meal alone (Control trial. Results Oral NAA resulted in a profound plasma alkalosis marked by decreased plasma [H+] and increased plasma [TCO2] and [HCO3-] compared to Control. The primary contributor to the plasma alkalosis was an increased [SID], as a result of increased plasma [Na+] and decreased plasma [Cl-]. An increased [Atot], due to increased [PP] and a sustained increase in plasma [acetate], contributed a minor acidifying effect. Conclusion It is concluded that oral NaAcetate could be used as both an alkalinizing agent and an alternative energy source in the horse.

  2. Measurement of the rates of oxindole-3-acetic acid turnover, and indole-3-acetic acid oxidation in Zea mays seedlings

    Nonhebel, H. M.; Bandurski, R. S. (Principal Investigator)


    Oxindole-3-acetic acid is the principal catabolite of indole-3-acetic acid in Zea mays seedlings. In this paper measurements of the turnover of oxindole-3-acetic acid are presented and used to calculate the rate of indole-3-acetic acid oxidation. [3H]Oxindole-3-acetic acid was applied to the endosperm of Zea mays seedlings and allowed to equilibrate for 24 h before the start of the experiment. The subsequent decrease in its specific activity was used to calculate the turnover rate. The average half-life of oxindole-3-acetic acid in the shoots was found to be 30 h while that in the kernels had an average half-life of 35h. Using previously published values of the pool sizes of oxindole-3-acetic acid in shoots and kernels from seedlings of the same age and variety, and grown under the same conditions, the rate of indole-3-acetic acid oxidation was calculated to be 1.1 pmol plant-1 h-1 in the shoots and 7.1 pmol plant-1 h-1 in the kernels.

  3. Hydrolyses of alpha-naphthyl acetate, beta-naphthyl acetate, and acetyl-DL-phenylalanine beta-naphthyl ester

    Kirkeby, S; Moe, D


    Using simultaneous coupling azo dye techniques kidney enzymes active against alpha-naphthyl acetate, beta-naphthyl acetate, and acetyl-DL-phenylalanine beta-naphthyl ester are characterized. The enzymes show identical distribution in the section. The banding patterns in zymograms are the same after...

  4. Stable acetate production in extreme-thermophilic (70°C) mixed culture fermentation by selective enrichment of hydrogenotrophic methanogens

    Zhang, Fang; Zhang, Yan; Ding, Jing; Dai, Kun; van Loosdrecht, Mark C. M.; Zeng, Raymond J.


    The control of metabolite production is difficult in mixed culture fermentation. This is particularly related to hydrogen inhibition. In this work, hydrogenotrophic methanogens were selectively enriched to reduce the hydrogen partial pressure and to realize efficient acetate production in extreme-thermophilic (70°C) mixed culture fermentation. The continuous stirred tank reactor (CSTR) was stable operated during 100 days, in which acetate accounted for more than 90% of metabolites in liquid solutions. The yields of acetate, methane and biomass in CSTR were 1.5 +/- 0.06, 1.0 +/- 0.13 and 0.4 +/- 0.05 mol/mol glucose, respectively, close to the theoretical expected values. The CSTR effluent was stable and no further conversion occurred when incubated for 14 days in a batch reactor. In fed-batch experiments, acetate could be produced up to 34.4 g/L, significantly higher than observed in common hydrogen producing fermentations. Acetate also accounted for more than 90% of soluble products formed in these fed-batch fermentations. The microbial community analysis revealed hydrogenotrophic methanogens (mainly Methanothermobacter thermautotrophicus and Methanobacterium thermoaggregans) as 98% of Archaea, confirming that high temperature will select hydrogenotrophic methanogens over aceticlastic methanogens effectively. This work demonstrated a potential application to effectively produce acetate as a value chemical and methane as an energy gas together via mixed culture fermentation.

  5. Oxidation of indole-3-acetic acid and oxindole-3-acetic acid to 2,3-dihydro-7-hydroxy-2-oxo-1H indole-3-acetic acid-7'-O-beta-D-glucopyranoside in Zea mays seedlings

    Nonhebel, H. M.; Bandurski, R. S.


    Radiolabeled oxindole-3-acetic acid was metabolized by roots, shoots, and caryopses of dark grown Zea mays seedlings to 2,3-dihydro-7-hydroxy-2-oxo-1H indole-3-acetic acid-7'-O-beta-D-glycopyranoside with the simpler name of 7-hydroxyoxindole-3-acetic acid-glucoside. This compound was also formed from labeled indole-3-acetic acid supplied to intact seedlings and root segments. The glucoside of 7-hydroxyoxindole-3-acetic acid was also isolated as an endogenous compound in the caryopses and shoots of 4-day-old seedlings. It accumulates to a level of 4.8 nanomoles per plant in the kernel, more than 10 times the amount of oxindole-3-acetic acid. In the shoot it is present at levels comparable to that of oxindole-3-acetic acid and indole-3-acetic acid (62 picomoles per shoot). We conclude that 7-hydroxyoxindole-3-acetic acid-glucoside is a natural metabolite of indole-3-acetic acid in Z. mays seedlings. From the data presented in this paper and in previous work, we propose the following route as the principal catabolic pathway for indole-3-acetic acid in Zea seedlings: Indole-3-acetic acid --> Oxindole-3-acetic acid --> 7-Hydroxyoxindole-3-acetic acid --> 7-Hydroxyoxindole-3-acetic acid-glucoside.

  6. Oxidation of indole-3-acetic acid and oxindole-3-acetic acid to 2,3-dihydro-7-hydroxy-2-oxo-1H indole-3-acetic acid-7'-O-beta-D-glucopyranoside in Zea mays seedlings

    Nonhebel, H. M.; Bandurski, R. S.


    Radiolabeled oxindole-3-acetic acid was metabolized by roots, shoots, and caryopses of dark grown Zea mays seedlings to 2,3-dihydro-7-hydroxy-2-oxo-1H indole-3-acetic acid-7'-O-beta-D-glycopyranoside with the simpler name of 7-hydroxyoxindole-3-acetic acid-glucoside. This compound was also formed from labeled indole-3-acetic acid supplied to intact seedlings and root segments. The glucoside of 7-hydroxyoxindole-3-acetic acid was also isolated as an endogenous compound in the caryopses and shoots of 4-day-old seedlings. It accumulates to a level of 4.8 nanomoles per plant in the kernel, more than 10 times the amount of oxindole-3-acetic acid. In the shoot it is present at levels comparable to that of oxindole-3-acetic acid and indole-3-acetic acid (62 picomoles per shoot). We conclude that 7-hydroxyoxindole-3-acetic acid-glucoside is a natural metabolite of indole-3-acetic acid in Z. mays seedlings. From the data presented in this paper and in previous work, we propose the following route as the principal catabolic pathway for indole-3-acetic acid in Zea seedlings: Indole-3-acetic acid --> Oxindole-3-acetic acid --> 7-Hydroxyoxindole-3-acetic acid --> 7-Hydroxyoxindole-3-acetic acid-glucoside.

  7. Microsomal metabolism of trenbolone acetate metabolites ...

    Trenbolone acetate (TBA) is a synthetic growth promoter widely used in animal agriculture, and its metabolites are suspected endocrine disrupting compounds in agriculturally impacted receiving waters. However, beyond the three widely recognized TBA metabolites (17-trenbolone, 17-trenbolone and trendione), little is known about other metabolites formed in vivo and subsequently discharged into the environment, with some evidence suggesting these unknown metabolites comprise a majority of the TBA mass dosed to the animal. Here, we explored the metabolism of the three known TBA metabolites using rat liver microsome studies. All TBA metabolites are transformed into a complex mixture of monohydroxylated products. Based on product characterization, the majority are more polar than the parent metabolites but maintain their characteristic trienone backbone. A minor degree of interconversion between known metabolites was also observed, as were higher order hydroxylated products with a greater extent of reaction. Notably, the distribution and yield of products were generally comparable across a series of variably induced rat liver microsomes, as well as during additional studies with human and bovine liver microsomes. Bioassays conducted with mixtures of these transformation products suggest that androgen receptor (AR) binding activity is diminished as a result of the microsomal treatment, suggesting that the transformation products are generally less potent than

  8. Quantitative Structure of an Acetate Dye Molecule Analogue at the TiO2–Acetic Acid Interface


    The positions of atoms in and around acetate molecules at the rutile TiO2(110) interface with 0.1 M acetic acid have been determined with a precision of ±0.05 Å. Acetate is used as a surrogate for the carboxylate groups typically employed to anchor monocarboxylate dye molecules to TiO2 in dye-sensitized solar cells (DSSC). Structural analysis reveals small domains of ordered (2 × 1) acetate molecules, with substrate atoms closer to their bulk terminated positions compared to the clean UHV surface. Acetate is found in a bidentate bridge position, binding through both oxygen atoms to two 5-fold titanium atoms such that the molecular plane is along the [001] azimuth. Density functional theory calculations provide adsorption geometries in excellent agreement with experiment. The availability of these structural data will improve the accuracy of charge transport models for DSSC. PMID:27110318

  9. Quantitative Structure of an Acetate Dye Molecule Analogue at the TiO2-Acetic Acid Interface.

    Hussain, Hadeel; Torrelles, Xavier; Cabailh, Gregory; Rajput, Parasmani; Lindsay, Robert; Bikondoa, Oier; Tillotson, Marcus; Grau-Crespo, Ricardo; Zegenhagen, Jörg; Thornton, Geoff


    The positions of atoms in and around acetate molecules at the rutile TiO2(110) interface with 0.1 M acetic acid have been determined with a precision of ±0.05 Å. Acetate is used as a surrogate for the carboxylate groups typically employed to anchor monocarboxylate dye molecules to TiO2 in dye-sensitized solar cells (DSSC). Structural analysis reveals small domains of ordered (2 × 1) acetate molecules, with substrate atoms closer to their bulk terminated positions compared to the clean UHV surface. Acetate is found in a bidentate bridge position, binding through both oxygen atoms to two 5-fold titanium atoms such that the molecular plane is along the [001] azimuth. Density functional theory calculations provide adsorption geometries in excellent agreement with experiment. The availability of these structural data will improve the accuracy of charge transport models for DSSC.

  10. Study on the impact of lead acetate pollutant on immunotoxicity produced by thiamethoxam pesticide

    Suprita Sinha


    Full Text Available Objective: The curtailed knowledge about neonicotinoids that it has low affinity for vertebrate relative to insect nicotinic receptors is a major factor for its widespread use assuming that it is much safer than the previous generation insecticides. But literature regarding effect of thiamethoxam (second generation neonicotinoidon immune system is not available. Also, there might be chances of interaction of heavy persistent metals in the water table with these pesticides. So, this study was undertaken with the objective to find immunotoxic alterations of lead acetate after exposure with thiamethoxam in animal model. Materials and Methods: For this albino mice were randomly divided into 6 groups (numbered I to VI each containing 6 mice. Animals of groups I and II were administered 87.1 mg/kg b.w.( body weight and 43.5 mg/kg b.w. respectively of thiamethoxam. Group III animals, lead acetate was administered orally and IV and V mice were administered combination of lead acetate and thiamethoxam at higher and lower dose level for 28 days. The group VI was control group. On 29 th day and humoral and cell mediated immune responses, TLC (Total leukocyte count, DLC (Differential leukocyte count, serum total protein, globulin and albumin, and histopathological studies were conducted. Result: The result obtained clearly indicated that on oral administration of thiamethoxam immunotoxicity was induced in mice in dose related manner. Lead acetate when administered for 28 days showed immunotoxic potential. Thiamethoxam and lead acetate when administered together did not lead to any new altered immunotoxic response but additive toxic effects of both were observed.

  11. Metabolic regulation of the plant hormone indole-3-acetic acid

    Jerry D. Cohen


    The phytohormone indole-3-acetic acid (IAA, auxin) is important for many aspects of plant growth, development and responses to the environment yet the routes to is biosynthesis and mechanisms for regulation of IAA levels remain important research questions. A critical issue concerning the biosynthesis if IAA in plants is that redundant pathways for IAA biosynthesis exist in plants. We showed that these redundant pathways and their relative contribution to net IAA production are under both developmental and environmental control. We worked on three fundamental problems related to how plants get their IAA: 1) An in vitro biochemical approach was used to define the tryptophan dependent pathway to IAA using maize endosperm, where relatively large amounts of IAA are produced over a short developmental period. Both a stable isotope dilution and a protein MS approach were used to identify intermediates and enzymes in the reactions. 2) We developed an in vitro system for analysis of tryptophan-independent IAA biosynthesis in maize seedlings and we used a metabolite profiling approach to isolate intermediates in this reaction. 3) Arabidopsis contains a small family of genes that encode potential indolepyruvate decarboxylase enzymes. We cloned these genes and studied plants that are mutant in these genes and that over-express each member in the family in terms of the level and route of IAA biosynthesis. Together, these allowed further development of a comprehensive picture of the pathways and regulatory components that are involved in IAA homeostasis in higher plants.

  12. Two di-alkyl-ammonium salts of 2-amino-4-nitro-benzoic acid: crystal structures and Hirshfeld surface analysis.

    Wardell, James L; Jotani, Mukesh M; Tiekink, Edward R T


    The crystal structures of two ammonium salts of 2-amino-4-nitro-benzoic acid are described, namely di-methyl-aza-nium 2-amino-4-nitro-benzoate, C2H8N(+)·C7H5N2O4(-), (I), and di-butyl-aza-nium 2-amino-4-nitro-benzoate, C8H20N(+)·C7H5N2O4(-), (II). The asymmetric unit of (I) comprises a single cation and a single anion. In the anion, small twists are noted for the carboxyl-ate and nitro groups from the ring to which they are connected, as indicated by the dihedral angles of 11.45 (13) and 3.71 (15)°, respectively; the dihedral angle between the substituents is 7.9 (2)°. The asymmetric unit of (II) comprises two independent pairs of cations and anions. In the cations, different conformations are noted in the side chains in that three chains have an all-trans [(+)-anti-periplanar] conformation, while one has a distinctive kink resulting in a (+)-synclinal conformation. The anions, again, exhibit twists with the dihedral angles between the carboxyl-ate and nitro groups and the ring being 12.73 (6) and 4.30 (10)°, respectively, for the first anion and 8.1 (4) and 12.6 (3)°, respectively, for the second. The difference between anions in (I) and (II) is that in the anions of (II), the terminal groups are conrotatory, forming dihedral angles of 17.02 (8) and 19.0 (5)°, respectively. In each independent anion of (I) and (II), an intra-molecular amino-N-H⋯O(carboxyl-ate) hydrogen bond is formed. In the crystal of (I), anions are linked into a jagged supra-molecular chain by charge-assisted amine-N-H⋯O(carboxyl-ate) hydrogen bonds and these are connected into layers via charge-assisted ammonium-N-H⋯O(carboxyl-ate) hydrogen bonds. The resulting layers stack along the a axis, being connected by nitro-N-O⋯π(arene) and methyl-C-H⋯O(nitro) inter-actions. In the crystal of (II), the anions are connected into four-ion aggregates by charge-assisted amino-N-H⋯O(carboxyl-ate) hydrogen bonding. The formation of ammonium

  13. Fragrance material review on 3-phenyl-3-buten-1-yl acetate.

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


    A toxicologic and dermatologic review of 3-phenyl-3-buten-1-yl acetate when used as a fragrance ingredient is presented. 3-Phenyl-3-buten-1-yl 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 3-phenyl-3-buten-1-yl acetate were evaluated, then summarized, and includes: physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, and skin sensitization data. A safety assessment of the entire AAASAE will be published simultaneously with this document. Please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all AAASAE in fragrances. Copyright © 2012 Elsevier Ltd. All rights reserved.

  14. Methyl Acetate and its singly deuterated isotopomers in the interstellar medium

    Das, Ankan; Sahu, Dipen; Gorai, Prasanta; Sivaraman, B; Chakrabarti, Sandip K


    Methyl acetate (CH_3COOCH_3) has been recently observed by IRAM 30 m radio telescope in Orion though the presence of its deuterated isotopomers is yet to be confirmed. We therefore study the properties of various forms of methyl acetate, namely, CH_3COOCH_3, CH_2DCOOCH_3 and CH_3COOCH_2D. Our simulation reveals that these species could be produced efficiently both in gas as well as in ice phases. Production of methyl acetate could follow radical-radical reaction between acetyl (CH_3CO) and methoxy (CH_3O) radicals. To predict abundances of CH_3COOCH_3 along with its two singly deuterated isotopomers and its two isomers (ethyl formate and hydroxyacetone), we prepare a gas-grain chemical network to study chemical evolution of these molecules. Since gas phase rate coefficients for methyl acetate and its related species were unknown, either we consider similar rate coefficients for similar types of reactions (by following existing data bases) or we carry out quantum chemical calculations to estimate the unknown r...

  15. Free acetate production by rat hepatocytes during peroxisomal fatty acid and dicarboxylic acid oxidation.

    Leighton, F; Bergseth, S; Rørtveit, T; Christiansen, E N; Bremer, J


    The fate of the acetyl-CoA units released during peroxisomal fatty acid oxidation was studied in isolated hepatocytes from normal and peroxisome-proliferated rats. Ketogenesis and hydrogen peroxide generation were employed as indicators of mitochondrial and peroxisomal fatty acid oxidation, respectively. Butyric and hexanoic acids were employed as mitochondrial substrates, 1, omega-dicarboxylic acids as predominantly peroxisomal substrates, and lauric acid as a substrate for both mitochondria and peroxisomes. Ketogenesis from dicarboxylic acids was either absent or very low in normal and peroxisome-proliferated hepatocytes, but free acetate release was detected at rates that could account for all the acetyl-CoA produced in peroxisomes by dicarboxylic and also by monocarboxylic acids. Mitochondrial fatty acid oxidation also led to free acetate generation but at low rates relative to ketogenesis. The origin of the acetate released was confirmed employing [1-14C]dodecanedioic acid. Thus, the activity of peroxisomes might contribute significantly to the free acetate generation known to occur during fatty acid oxidation in rats and possibly also in humans.

  16. Lanthanum acetate inhibits vascular calcification induced by vitamin D3 plus nicotine in rats.

    Zhou, Ye-Bo; Jin, Shao-Ju; Cai, Yan; Teng, Xu; Chen, Li; Tang, Chao-Shu; Qi, Yong-Fen


    Lanthanum, a rare earth element, has been used to decrease serum phosphorus level in patients with chronic renal disease and hyperphosphatemia. We aimed to observe the effect and mechanism of two doses of lanthanum acetate (375 and 750 mg/kg/day) on vascular calcification induced by vitamin D3 plus nicotine treatment in rats for 4 weeks. As compared with control rats, rats with calcification showed widespread calcified nodules and irregular elastic fibers in calcified aorta on von Kossa calcium staining and increased aortic calcium and phosphorus contents, alkaline phosphatase (ALP) activity and bone-related protein expressions for osteopontin (OPN) and type III sodium dependent phosphate cotransporter Pit-1 (Pit-1). After treatment with either dose of lanthanum acetate, the calcified nodules and degree of irregular elastic fibers decreased in aortas. Lanthanum acetate at 750 mg/kg/day was more effective than 375 mg/kg/day in lessening vascular calcification by significantly reducing plasma phosphorus level, calcium x phosphorus product and ALP activity, by 30.3%, 28.6%, and 68.6%, respectively; reducing aortic phosphorus and calcium contents and ALP activity, by 48%, 53.1%, and 63.5% (all P nicotine alone. Lanthanum acetate could effectively inhibit the pathogenesis of vascular calcification.

  17. Ligand-assisted, copper(II) acetate-accelerated azide-alkyne cycloaddition.

    Michaels, Heather A; Zhu, Lei


    Polytriazole ligands such as the widely used tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine (TBTA), are shown to assist copper(II) acetate-mediated azide-alkyne cycloaddition (AAC) reactions that involve nonchelating azides. Tris(2-{4-[(dimethylamino)methyl]-1H-1,2,3-traizol-1-yl}ethyl)amine (DTEA) outperforms TBTA in a number of reactions. The satisfactory solubility of DTEA in a wide range of polar and nonpolar solvents, including water and toluene, renders it advantageous under copper(II) acetate-mediated conditions. The copper(II) acetate-mediated formation of the three triazolyl groups in a tris(triazolyl)-based ligand occurs sequentially with an inhibitory effect in the last step. The kinetic investigations of the ligand-assisted reactions reveal an interesting mechanistic dependence on the relative affinity of azide and alkyne to copper (II). In addition to expanding the scope of the copper(II) acetate-mediated AAC reactions to include nonchelating azides, this work offers evidence for the mechanistic synergy between the title reaction and the alkyne oxidative homocoupling reaction. The elucidation of the structural details of the polytriazole-ligand-bound reactive species in copper(I/II)-mediated AAC reactions, however, awaits further characterization of the metal coordination chemistry of polytriazole ligands. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Chronic exercise training versus acute endurance exercise in reducing neurotoxicity in rats exposed to lead acetate

    Mohammad Shahandeh; Valiollah Dabidi Roshan; Somayeh Hosseinzadeh; Soleiman Mahjoub; Vaginak Sarkisian


    After intraperitoneal injection of 20 mg/kg lead acetate, rats received 8 weeks of treadmill exercise (15–22 m/min, 25–64 minutes) and/or treadmill exercise at 1.6 km/h until exhaustion. The markers related to neurotoxicity were measured by enzyme-linked immunosorbent assay method. 8 weeks of treadmill exercise significantly increased brain-derived neurotrophic factor level in the hippocampus (P = 0.04) and plasma level of total antioxidant capacity of rats exposed to lead acetate (P < 0.001), and significantly decreased plasma level of malondialdehyde (P < 0.001). Acute exercise only decreased the hippocampal malondialdehyde level (P = 0.09) and increased brain-derived neurotrophic factor level in the hippocampus (P = 0.66). Acute exercise also enhanced the total antioxidant capacity in rats exposed to lead acetate, insignificantly (P = 0.99). These findings suggest that chronic treadmill exercise can significantly decrease neurotoxicity and alleviate oxidative stress in rats exposed to lead acetate. However, acute endurance exercise was not associated with these beneficial effects.

  19. Population dynamics of acetic acid bacteria during traditional wine vinegar production.

    Vegas, Carlos; Mateo, Estibaliz; González, Angel; Jara, Carla; Guillamón, José Manuel; Poblet, Montse; Torija, Ma Jesús; Mas, Albert


    The population dynamics of acetic acid bacteria in traditional vinegar production was determined in two independent vinegar plants at both the species and strain level. The effect of barrels made of four different woods upon the population dynamics was also determined. Acetic acid bacteria were isolated on solid media and the species were identified by RFLP-PCR of 16S rRNA genes and confirmed by 16S rRNA gene sequencing, while strains were typed by ERIC-PCR and (GTG)(5)-rep-PCR. The most widely isolated species was Acetobacter pasteurianus, which accounted for 100% of all the isolates during most of the acetification. Gluconacetobacter europaeus only appeared at any notable level at the end of the process in oak barrels from one vinegar plant. The various A. pasteurianus strains showed a clear succession as the concentration of acetic acid increased. In both vinegar plants the relative dominance of different strains was modified as the concentrations of acetic acid increased, and strain diversity tended to reduce at the end of the process.

  20. Structure-odor relationships of linalool, linalyl acetate and their corresponding oxygenated derivatives

    Shaimaa eElsharif


    Full Text Available Linalool 1 is an odorant that is commonly perceived as having a pleasant odor, but is also known to elicit physiological effects such as inducing calmness and enhancing sleep. However, no comprehensive studies are at hand to show which structural features are responsible for these prominent effects. Therefore, a total of six oxygenated derivatives were synthesized from both 1 and linalyl acetate 2, and were tested for their odor qualities and relative odor thresholds (OTs in air. Linalool was found to be the most potent odorant among the investigated compounds, with an average OT of 3.2 ng/L, while the 8-hydroxylinalool derivative was the least odorous compound with an OT of 160 ng/L; 8-carboxylinalool was found to be odorless. The odorant 8-oxolinalyl acetate, which has very similar odor properties to linalool, was the most potent odorant besides linalool, exhibiting an OT of 5.9 ng/L. By comparison, 8-carboxylinalyl acetate had a similar OT (6.1 ng/L as its corresponding 8-oxo derivative but exhibited divergent odor properties (fatty, greasy, musty. Overall, oxygenation on carbon 8 had a substantial effect on the aroma profiles of structural derivatives of linalool and linalyl acetate.

  1. Simultaneous production of acetic and gluconic acids by a thermotolerant Acetobacter strain during acetous fermentation in a bioreactor.

    Mounir, Majid; Shafiei, Rasoul; Zarmehrkhorshid, Raziyeh; Hamouda, Allal; Ismaili Alaoui, Mustapha; Thonart, Philippe


    The activity of bacterial strains significantly influences the quality and the taste of vinegar. Previous studies of acetic acid bacteria have primarily focused on the ability of bacterial strains to produce high amounts of acetic acid. However, few studies have examined the production of gluconic acid during acetous fermentation at high temperatures. The production of vinegar at high temperatures by two strains of acetic acid bacteria isolated from apple and cactus fruits, namely AF01 and CV01, respectively, was evaluated in this study. The simultaneous production of gluconic and acetic acids was also examined in this study. Biochemical and molecular identification based on a 16s rDNA sequence analysis confirmed that these strains can be classified as Acetobacter pasteurianus. To assess the ability of the isolated strains to grow and produce acetic acid and gluconic acid at high temperatures, a semi-continuous fermentation was performed in a 20-L bioreactor. The two strains abundantly grew at a high temperature (41°C). At the end of the fermentation, the AF01 and CV01 strains yielded acetic acid concentrations of 7.64% (w/v) and 10.08% (w/v), respectively. Interestingly, CV01 was able to simultaneously produce acetic and gluconic acids during acetic fermentation, whereas AF01 mainly produced acetic acid. In addition, CV01 was less sensitive to ethanol depletion during semi-continuous fermentation. Finally, the enzymatic study showed that the two strains exhibited high ADH and ALDH enzyme activity at 38°C compared with the mesophilic reference strain LMG 1632, which was significantly susceptible to thermal inactivation.

  2. Crystal structures of four co-crystals of (E)-1,2-di(pyridin-4-yl)ethene with 4-alk-oxy-benzoic acids: 4-meth-oxy-benzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-eth-oxy-benzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-n-propoxybenzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-n-but-oxy-benzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1).

    Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki


    The crystal structures of four hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-(E)-1,2-di(pyridin-4-yl)ethene (2/1), namely, 2C8H8O3·C12H10N2, (I), 2C9H10O3·C12H10N2, (II), 2C10H12O3·C12H10N2, (III) and 2C11H14O3·C12H10N2, (IV), have been determined at 93 K. In compounds (I) and (IV), the asymmetric units are each composed of one 4-alk-oxy-benzoic acid mol-ecule and one half-mol-ecule of (E)-1,2-di(pyridin-4-yl)ethene, which lies on an inversion centre. The asymmetric unit of (II) consists of two crystallographically independent 4-eth-oxy-benzoic acid mol-ecules and one 1,2-di(pyridin-4-yl)ethene mol-ecule. Compound (III) crystallizes in a non-centrosymmetric space group (Pc) and the asymmetric unit comprises four 4-n-propoxybenzoic acid mol-ecules and two (E)-1,2-di(pyridin-4-yl)ethane mol-ecules. In each crystal, the acid and base components are linked by O-H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit of the acid and the base. In (I), (II) and (III), inter-molecular C-H⋯O inter-actions are observed. The 2:1 units of (I) and (II) are linked via C-H⋯O hydrogen bonds, forming tape structures. In (III), the C-H⋯O hydrogen bonds, except for those formed in the units, link the two crystallographically independent 2:1 units. In (IV), no C-H⋯O inter-actions are observed, but π-π and C-H⋯π inter-actions link the units into a column structure.

  3. Effect of Magnesium Acetate on the Antimold Activity of Lactobacillus.

    Kycia, Katarzyna; Bzducha-Wróbel, Anna; Kraśniewska, Karolina; Chlebowska-Śmigiel, Anna; Gniewosz, Małgorzata


    The antimold activity of lactic acid bacteria (LAB) is used in food biopreservation. The aim of this study was to evaluate the effect of magnesium acetate added to de Man Rogosa Sharpe (MRS) medium on the antimold activity of three LAB strains ( Lactobacillus plantarum , Lactobacillus brevis , and Lactobacillus fermentum ) against molds contaminating food ( Aspergillus oryzae , Aspergillus niger , Penicillium chrysogenum , Fusarium avenaceum , and Rhizopus arrhizus ) and their ability to produce organic acids (acetic acid, lactic acid, and phenyllactic acid). The antimold activity of LAB strains was evaluated using the overlay method, and the concentration of the organic acids was determined with the gas chromatography technique. Changes in viable cell counts and the pH of LAB culture also were monitored over a 48-h period. The results show that the growth inhibition of all the molds (except R. arrhizus ) was higher in LAB strain cultures on MRS with magnesium acetate agar than on MRS agar, and inhibition increased over the 48 h. Magnesium acetate added to MRS broth stimulated the production of acetic acid by all LAB strains in the first 8 h and slightly stimulated the production of lactic acid by L. plantarum during the first 24 h. No adverse effect of magnesium acetate on growth of LAB strains was noted. The results confirm that magnesium acetate enhances the antimold activity of LAB strains.

  4. SAGA complex components and acetate repression in Aspergillus nidulans.

    Georgakopoulos, Paraskevi; Lockington, Robin A; Kelly, Joan M


    Alongside the well-established carbon catabolite repression by glucose and other sugars, acetate causes repression in Aspergillus nidulans. Mutations in creA, encoding the transcriptional repressor involved in glucose repression, also affect acetate repression, but mutations in creB or creC, encoding components of a deubiquitination system, do not. To understand the effects of acetate, we used a mutational screen that was similar to screens that uncovered mutations in creA, creB, and creC, except that glucose was replaced by acetate to identify mutations that were affected for repression by acetate but not by glucose. We uncovered mutations in acdX, homologous to the yeast SAGA component gene SPT8, which in growth tests showed derepression for acetate repression but not for glucose repression. We also made mutations in sptC, homologous to the yeast SAGA component gene SPT3, which showed a similar phenotype. We found that acetate repression is complex, and analysis of facA mutations (lacking acetyl CoA synthetase) indicates that acetate metabolism is required for repression of some systems (proline metabolism) but not for others (acetamide metabolism). Although plate tests indicated that acdX- and sptC-null mutations led to derepressed alcohol dehydrogenase activity, reverse-transcription quantitative real-time polymerase chain reaction showed no derepression of alcA or aldA but rather elevated induced levels. Our results indicate that acetate repression is due to repression via CreA together with metabolic changes rather than due to an independent regulatory control mechanism.

  5. Relativity

    Brewster, Hilary D


    The theory of relativity has become a cornerstone of modern physics. Over the course of time it has been scrutinized in a multitude of experiments and has always been verified with high accuracy. The correctness of this theory can no longer be called into question. Right after its discovery by Albert Einstein in 1905, special relativity was only gradually accepted because it made numerous predictions contradicting common sense, fervently castigated by Einstein, and also defied experiment for too long a time. It was only with the advent of particle or high energy physics that matter could be ac

  6. Relativity

    Einstein, Albert


    Time magazine's ""Man of the Century"", Albert Einstein is the founder of modern physics and his theory of relativity is the most important scientific idea of the modern era. In this short book, Einstein explains, using the minimum of mathematical terms, the basic ideas and principles of the theory that has shaped the world we live in today. Unsurpassed by any subsequent books on relativity, this remains the most popular and useful exposition of Einstein's immense contribution to human knowledge.With a new foreword by Derek Raine.

  7. 肉桂等3种挥发油对苯甲酸透皮吸收的影响%The influence of Cinnamon oil and other volatile oils on percutaneous absorption of benzoic acid

    沈琦; 胡晋红; 徐莲英


    OBJECTIVE To study the effect of Cinnamon oil, Eugenia oil andGalangal oil on the percutaneous penetration of benzoic acid. METHODS In order to compare the effect of the volatile oils and in combination with ethanol and propylene glycol on percutaneous penetration, the cumulative amount of benzoic acid penetrated through the skin was determined in vitro with Valia-Chien horizontal diffusion cell and HPLC.RESULTS All of the volatile oils enhanced remarkably the skin penetration of benzoic acid,and these volatile oils in combination with ethanol and propylene glycol increased the cummulative amount of benzoic acid,but decreased permeability coefficients.CONCLUSIONS Cinnamon oil, Eugenia oil and Galangal oil can be used to enhance the percutaneous absorption of benzoic acid.%目的:研究肉桂油、高良姜油、丁香油对苯甲酸透皮吸收的影响。方法:采用体外透皮双室扩散池和HPLC法,测定模型药物苯甲酸的累积渗透量,以考察不同浓度的肉桂油、高良姜油、丁香油对苯甲酸的促渗效果及挥发油与乙醇、丙二醇合用后的情况。结果:肉桂油、丁香油、丁香酚、高良姜油对苯甲酸均具有一定的促渗作用,挥发油与乙醇、丙二醇合用,使苯甲酸的累积渗透量增大,但渗透系数减小。结论:肉桂油、高良姜油、丁香油等能促进苯甲酸的透皮吸收。

  8. Acetate:succinate CoA-transferase in the hydrogenosomes of Trichomonas vaginalis: Identification and characterization

    K.W.A. Grinsven; S. Rosnowsky (Silke); S.W.H. van Weelden (Susanne); S. Pütz (Simone); M. van der Giezen (Mark); W. Martin (William); J.J. van Hellemond (Jaap); A.G.M. Tielens (Aloysius); K. Henze (Katrin)


    textabstractAcetate:succinate CoA-transferases (ASCT) are acetate-producing enzymes in hydrogenosomes, anaerobically functioning mitochondria and in the aerobically functioning mitochondria of trypanosomatids. Although acetate is produced in the hydrogenosomes of a number of anaerobic microbial

  9. The stable carbon isotope biogeochemistry of acetate and other dissolved carbon species in deep subseafloor sediments at the northern Cascadia Margin

    Heuer, V.B.; Pohlman, J.W.; Torres, M.E.; Elvert, M.; Hinrichs, K.-U.


    Ocean drilling has revealed the existence of vast microbial populations in the deep subseafloor, but to date little is known about their metabolic activities. To better understand the biogeochemical processes in the deep biosphere, we investigate the stable carbon isotope chemistry of acetate and other carbon-bearing metabolites in sediment pore-waters. Acetate is a key metabolite in the cycling of carbon in anoxic sediments. Its stable carbon isotopic composition provides information on the metabolic processes dominating acetate turnover in situ. This study reports our findings for a methane-rich site at the northern Cascadia Margin (NE Pacific) where Expedition 311 of the Integrated Ocean Drilling Program (IODP) sampled the upper 190 m of sediment. At Site U1329, ??13C values of acetate span a wide range from -46.0??? to -11.0??? vs. VPDB and change systematically with sediment depth. In contrast, ??13C values of both the bulk dissolved organic carbon (DOC) (-21.6 ?? 1.3??? vs. VPDB) and the low-molecular-weight compound lactate (-20.9 ?? 1.8??? vs. VPDB) show little variability. These species are interpreted to represent the carbon isotopic composition of fermentation products. Relative to DOC, acetate is up to 23.1??? depleted and up to 9.1??? enriched in 13C. Broadly, 13C-depletions of acetate relative to DOC indicate flux of carbon from acetogenesis into the acetate pool while 13C-enrichments of pore-water acetate relative to DOC suggest consumption of acetate by acetoclastic methanogenesis. Isotopic relationships between acetate and lactate or DOC provide new information on the carbon flow and the presence and activity of specific functional microbial communities in distinct biogeochemical horizons of the sediment. In particular, they suggest that acetogenic CO2-reduction can coexist with methanogenic CO2-reduction, a notion contrary to the hypothesis that hydrogen levels are controlled by the thermodynamically most favorable electron-accepting process

  10. Ethinylestradiol/Chlormadinone acetate: dermatological benefits.

    Guerra-Tapia, Aurora; Sancho Pérez, Blanca


    Acne vulgaris, hirsutism, seborrhea and female pattern hair loss (FPHL) are common disorders of the pilosebaceous unit (PSU). In some women with hyperandrogenemia, an excess of androgens at the PSU can lead to the development of these dermatological manifestations. These manifestations can cause many psychiatric and psychological implications, such as social fears and anxiety, and can adversely affect quality of life. High androgen levels at the PSU as a possible underlying cause of acne vulgaris, hirsutism, seborrhea and FPHL supports the rationale for using combined oral contraceptives for the management of these conditions in women. The purpose of this review is to describe these dermatological manifestations of the PSU and the management of these conditions through the use of the oral contraceptive ethinylestradiol/chlormadinone acetate (EE/CMA). EE/CMA 0.03/2 mg is a combined monophasic contraceptive pill with anti-androgenic properties. It is approved in Europe for contraception and has been investigated in phase III trials for the treatment of acne. EE/CMA was better than placebo and similar to another low-dose oral contraceptive (ethinylestradiol/levonorgestrel) in improving symptoms of acne in two phase III randomized controlled trials in patients with mild to moderate papulopustular acne. In addition, in trials investigating the contraceptive efficacy of EE/CMA, limited data suggest that there were also improvements in hirsutism, FPHL and seborrhea in small subgroups of patients. EE/CMA has a good safety profile. The most commonly reported adverse events are breast tenderness/pain, headache/migraine and nausea. Evidence in the literature indicates that the use of EE/CMA for the treatment of dermatological disorders under the control of androgens may be a valid treatment option. Further investigation is warranted.

  11. Leuprolide acetate suppresses pedophilic urges and arousability.

    Schober, Justine M; Kuhn, Phyllis J; Kovacs, Paul G; Earle, James H; Byrne, Peter M; Fries, Ruth A


    Cognitive-behavioral psychotherapy was compared with cognitive-behavioral psychotherapy augmented by leuprolide acetate (LA) for suppression of pedophilic behavior. Five male pedophiles (M age, 50 years; range, 36-58) were administered LA by Depo injection for 12 months, followed by saline placebo for 12 months. Testosterone levels, sexual interest preference by visual reaction time (Abel Assessment), penile tumescence (Monarch Penile Plethysmography, PPG), as well as strong sexual urges toward children and masturbatory frequency involving thoughts of children (polygraph), were measured every 3 months. On LA, testosterone decreased to castrate levels. Penile tumescence was significantly suppressed compared with baseline, but sufficient response remained to detect pedophilic interest. Pedophilic interest was also detected by visual reaction times. When asked about having pedophilic urges and masturbating to thoughts of children, all subjects self-reported a decrease. Polygraph responses indicated subjects were not deceptive. On placebo, testosterone and physiologic arousal eventually rose to baseline. As noted by polygraph, at baseline and on placebo, subjects were deceptive regarding increased pedophilic urges and masturbatory frequency. Interest preference, as measured by Abel Assessment and Monarch PPG, was generally unchanged throughout the study. Cognitive-behavioral psychotherapy augmented with LA significantly reduced pedophilic fantasies, urges, and masturbation; however, pedophilic interest did not change during 1 year of therapy. Deceptive responses by polygraph suggested that self-report was unreliable. Follow-up utilizing objective measures is essential for monitoring efficacy of treatment in pedophilia. Our study supports the premise that suppression of pedophilic behavior is possible. LA may augment cognitive-behavioral psychotherapy and help break the sequence leading to a re-offense.

  12. 4-[3,5-Bis(2-hydroxyphenyl-1H-1,2,4-triazol-1-yl]benzoic acid dimethylformamide monosolvate

    H. S. Yathirajan


    Full Text Available In the molecule of deferasirox dimethylformamide solvate, C21H15N3O4·C3H7NO, the central 1,2,4-triazole ring is tilted with respect to the benzoic acid and one of the 2-hydroxyphenyl units but coplanar with the other 2-hydroxyphenyl group, as indicated by the dihedral angles of 33.69 (9, 72.57 (8 and 5.18 (9°, respectively. Intramolecular O—H...N hydrogen bonds generate an S(6 ring motif. In the crystal, deferasirox molecules are linked by O—H...N hydrogen bonds and weak C—H...O interactions into chains along the c axis. The dimethylformamide solvent molecules are located between the deferasirox chains and are linked to the deferasirox molecules by O—H...O hydrogen bonds and weak C—H...O interactions.

  13. Photoinduced intramolecular charge-transfer reactions in 4-amino-3-methyl benzoic acid methyl ester: A fluorescence study in condensedphase and jet-cooled molecular beams

    Amrita Chakraborty; Samiran Kar; D N Nath; Nikhil Guchhait


    Photoinduced intramolecular charge-transfer reactions in 4-amino-3-methyl benzoic acid methyl ester (AMBME) have been investigated spectroscopically. AMBME, with its weak charge donor primary amino group, shows dual emission in polar solvents. Absorption and emission measurements in the condensed phase support the premise that the short wavelength emission band corresponds to local emission and the long wavelength emission band to the charge transfer emission. Laser-induced fluorescence excitation spectra show the presence of two low-energy conformers in jet-cooled molecular beams. Theoretical calculations using density functional theory help to determine structure, vibrational modes, potential energy surface, transition energy and oscillator strength for correlating experimental findings with theoretical results.

  14. Lead(II) coordination polymers based on rigid-flexible 3,5-bis-oxyacetate-benzoic acid: Structural transition driven by temperature control

    Chen, Yong-Qiang; Tian, Yuan


    Three Pb(II) complexes {[Pb3(BOABA)2(H2O)]·H2O}n (1), {[Pb4(BOABA)2(μ4-O)(H2O)2]·H2O}n (2), and [Pb3(BOABA)2(H2O)]n (3) (H3BOABA=3,5-bis-oxyacetate-benzoic acid) were obtained under the same reaction systems with different temperatures. Complexes 1 and 2 are two dimensional (2D) networks based on Pb-BOABA chains and Pb4(μ4-O)(COO)6 SBUs, respectively. Complex 3 presents an interesting three dimensional (3D) framework, was obtained by increasing the reaction temperature. Structural transition of the crystallization products is largely dependent on the reaction temperature. Moreover, the fluorescence properties of complexes 1-3 have been investigated.

  15. Synthesis, biological evaluation, and structure-activity relationships of 2-[2-(benzoylamino)benzoylamino]benzoic acid analogues as inhibitors of adenovirus replication.

    Öberg, Christopher T; Strand, Mårten; Andersson, Emma K; Edlund, Karin; Tran, Nam Phuong Nguyen; Mei, Ya-Fang; Wadell, Göran; Elofsson, Mikael


    2-[2-Benzoylamino)benzoylamino]benzoic acid (1) was previously identified as a potent and nontoxic antiadenoviral compound (Antimicrob. Agents Chemother. 2010, 54, 3871). Here, the potency of 1 was improved over three generations of compounds. We found that the ortho, ortho substituent pattern and the presence of the carboxylic acid of 1 are favorable for this class of compounds and that the direction of the amide bonds (as in 1) is obligatory. Some variability in the N-terminal moiety was tolerated, but benzamides appear to be preferred. The substituents on the middle and C-terminal rings were varied, resulting in two potent inhibitors, 35g and 35j, with EC(50) = 0.6 μM and low cell toxicity.

  16. A neutron diffraction study from 6 to 293 K and a macroscopic-scale quantum theory of the hydrogen bonded dimers in the crystal of benzoic acid

    Fillaux, François


    The crystal of benzoic acid is comprised of tautomeric centrosymmetric dimers linked through bistable hydrogen bonds. Statistical disorder of the bonding protons is excluded by neutron diffraction from 6 K to 293 K. In addition to diffraction data, vibrational spectra and relaxation rates measured with solid-state-NMR and quasi-elastic neutron scattering are consistent with wave-like, rather than particle-like protons. We present a macroscopic-scale quantum theory for the bonding protons represented by a periodic lattice of fermions. The adiabatic separation, the exclusion principle, and the antisymmetry postulate yield a static lattice-state immune to decoherence. According to the theory of quantum measurements, vibrational spectroscopy and relaxometry involve realizations of decoherence-free Bloch states for nonlocal symmetry species that did not exist before the measurement. The eigen states are fully determined by three temperature-independent parameters which are effectively measured: the energy differen...

  17. Crystal structure of 4-(3-carb-oxy-pro-pan-amido)-2-hy-droxy-benzoic acid mono-hydrate.

    Tahir, Muhammad Nawaz; Ahmed, Muhammad Naeem; Butt, Arshad Farooq; Shad, Hazoor Ahmad


    In the title hydrate, C11H11NO6·H2O, the organic mol-ecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring. In the crystal, the benzoic acid group participates in an O-H⋯O hydrogen bond to the water mol-ecule and accepts a similar bond from another water mol-ecule. The other -CO2H group forms a carb-oxy-lic acid inversion dimer, thereby forming an R 2 (2)(8) loop. These bonds, along with N-H⋯O and C-H⋯O inter-actions, generate a three-dimensional network.

  18. Synthesis and phase behavior of dendrons derived from 3,4,5-tris(tetradecyloxy)benzoic acid with different functional groups in focal point

    Matvey Gruzdev; Ulyana Chervonova; Olga Akopova; Arkadiy Kolker


    A number of dendrons of various chain lengths derived from the esters of 3,4,5-tris(tetrade-cyloxy)benzoic acid were synthesized. These esters were used as building blocks in the design of polyester molecules. Intermediate products, such as branched compounds with variation of functional groups in focal point (aromatic acids and their benzyl esters, aldehydes of different generation) were obtained. The structure and purity of all the compounds were determined by elemental analysis, FT-IR, NMR spectroscopy, mass spectrometry (MALDI-ToF). The phase behavior was investigated by differential scanning calorimetry and confirmed by polarized optical microscopy. Consequently, it was established that the liquid-crystalline properties of this series of dendrons arise from the degree of branching. This behavior can be explained by the formation of hydrogen bonds, as well as microsegregation processes of the links of the macromolecule.

  19. Acetate and bicarbonate assimilation and metabolite formation in Chlamydomonas reinhardtii: a 13C-NMR study.

    Himanshu Singh

    Full Text Available Cellular metabolite analyses by (13C-NMR showed that C. reinhardtii cells assimilate acetate at a faster rate in heterotrophy than in mixotrophy. While heterotrophic cells produced bicarbonate and CO2aq, mixotrophy cells produced bicarbonate alone as predominant metabolite. Experiments with singly (13C-labelled acetate ((13CH(3-COOH or CH(3-(13COOH supported that both the (13C nuclei give rise to bicarbonate and CO2(aq. The observed metabolite(s upon further incubation led to the production of starch and triacylglycerol (TAG in mixotrophy, whereas in heterotrophy the TAG production was minimal with substantial accumulation of glycerol and starch. Prolonged incubation up to eight days, without the addition of fresh acetate, led to an increased TAG production at the expense of bicarbonate, akin to that of nitrogen-starvation. However, such TAG production was substantially high in mixotrophy as compared to that in heterotrophy. Addition of mitochondrial un-coupler blocked the formation of bicarbonate and CO2(aq in heterotrophic cells, even though acetate uptake ensued. Addition of PSII-inhibitor to mixotrophic cells resulted in partial conversion of bicarbonate into CO2(aq, which were found to be in equilibrium. In an independent experiment, we have monitored assimilation of bicarbonate via photoautotrophy and found that the cells indeed produce starch and TAG at a much faster rate as compared to that in mixotrophy and heterotrophy. Further, we noticed that the accumulation of starch is relatively more as compared to TAG. Based on these observations, we suggest that acetate assimilation in C. reinhardtii does not directly lead to TAG formation but via bicarbonate/CO2(aq pathways. Photoautotrophic mode is found to be the best growth condition for the production of starch and TAG and starch in C. reinhardtii.

  20. Study of process variables in industrial acetic fermentation by a continuous pilot fermentor and response surfaces.

    Garrido-Vidal, Diego; Pizarro, Consuelo; González-Sáiz, José M


    The modeling and optimization of industrial processes requires an intensive study of the factors involved. In this work, a continuous pilot system for studying the industrial process of acetic fermentation is developed. A Doehlert design is applied to the five variables involved in the pilot process. This experimental design allows reduction of the experimental burden and the maximum amount of information to be obtained, studying the factors at different levels depending on their significance. The experimental system provides a robust measure of the specific growth rate and the rates of substrates consumption and acetic acid production, related to the flow of effluent stream evaluated in the steady state. The results demonstrate the growth-associated kinetics of substrates and product, and the yield factors are calculated with low values of variances for the coefficients, i.e., within the range 1-11%. The specific growth rate suits the quadratic model proposed. The response surfaces generated by the model are applied to explain the behavior of the bacterial growth and, therefore, the effects of the process variables studied over the acetic acid production. Very low levels of ethanol or oxygen make the acetification rate decrease, and a saturation effect with high levels of ethanol or oxygen is also deduced. The effects of the aeration rate, agitation, and overpressure suggest a kind of inhibition of the acetic acid production caused by the oxygen that has not been practically studied before. The temperature strengthens the inhibitory effect of the ethanol and the oxygen. The conclusions of this work consolidate the structure of a hybrid model for the acetic fermentation.

  1. Oxygen relieves the CO2 and acetate dependency of Lactobacillus johnsonii NCC 533.

    Hertzberger, Rosanne Y; Pridmore, R David; Gysler, Christof; Kleerebezem, Michiel; Teixeira de Mattos, M Joost


    Oxygen relieves the CO2 and acetate dependency of Lactobacillus johnsonii NCC 533. The probiotic Lactobacillus johnsonii NCC 533 is relatively sensitive to oxidative stress; the presence of oxygen causes a lower biomass yield due to early growth stagnation. We show however that oxygen can also be beneficial to this organism as it relieves the requirement for acetate and CO2 during growth. Both on agar- and liquid-media, anaerobic growth of L. johnsonii NCC 533 requires CO2 supplementation of the gas phase. Switching off the CO2 supply induces growth arrest and cell death. The presence of molecular oxygen overcomes the CO2 dependency. Analogously, L. johnsonii NCC 533 strictly requires media with acetate to sustain anaerobic growth, although supplementation at a level that is 100-fold lower (120 microM) than the concentration in regular growth medium for lactobacilli already suffices for normal growth. Analogous to the CO2 requirement, oxygen supply relieves this acetate-dependency for growth. The L. johnsonii NCC 533 genome indicates that this organism lacks genes coding for pyruvate formate lyase (PFL) and pyruvate dehydrogenase (PDH), both CO2 and acetyl-CoA producing systems. Therefore, C1- and C2- compound production is predicted to largely depend on pyruvate oxidase activity (POX). This proposed role of POX in C2/C1-generation is corroborated by the observation that in a POX deficient mutant of L. johnsonii NCC 533, oxygen is not able to overcome acetate dependency nor does it relieve the CO2 dependency.

  2. Megestrol acetate for treatment of anorexia-cachexia syndrome.

    Ruiz Garcia, Vicente; López-Briz, Eduardo; Carbonell Sanchis, Rafael; Gonzalvez Perales, Jose Luis; Bort-Marti, Sylvia


    This is an updated version of a previously published review in The Cochrane Library (2005, Issue 2) on 'Megestrol acetate for the treatment of anorexia-cachexia syndrome'. Megestrol acetate (MA) is currently used to improve appetite and to increase weight in cancer-associated anorexia. In 1993, MA was approved by the US Food and Drug Administration for the treatment of anorexia, cachexia or unexplained weight loss in patients with AIDS. The mechanism by which MA increases appetite is unknown and its effectiveness for anorexia and cachexia in neoplastic and AIDS (acquired immunodeficiency syndrome) patients is under investigation. To evaluate the efficacy, effectiveness and safety of MA in palliating anorexia-cachexia syndrome in patients with cancer, AIDS and other underlying pathologies. We sought studies through an extensive search of electronic databases, journals, reference lists, contact with investigators and other search strategies outlined in the methods. The most recent search for this update was carried out in May 2012. Studies were included in the review if they assessed MA compared to placebo or other drug treatments in randomised controlled trials of patients with a clinical diagnosis of anorexia-cachexia syndrome related to cancer, AIDS or any other underlying pathology. Two independent review authors conducted data extraction and evaluated methodological quality. We performed quantitative analyses using appetite and quality of life as a dichotomous variable, and analysed weight gain as continuous and dichotomous variables. We included 35 trials in this update, the same number but not the same trials as in the previous version of the review. The trials comprised 3963 patients for effectiveness and 3180 for safety. Sixteen trials compared MA at different doses with placebo, seven trials compared different doses of MA with other drug treatments and 10 trials compared different doses of MA. Meta-analysis showed a benefit of MA compared with placebo

  3. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    Xiong, Pingping [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Li, Jie [Key Laboratory of Resource Biology and Biotechnology in Western China (Ministry of Education), Shaanxi Provincial Key Laboratory of Biotechnology, Xi' an 710069 (China); Bu, Huaiyu, E-mail: [Key Laboratory of Resource Biology and Biotechnology in Western China (Ministry of Education), Shaanxi Provincial Key Laboratory of Biotechnology, Xi' an 710069 (China); Wei, Qing [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China); Zhang, Ruolin [Key Laboratory of Resource Biology and Biotechnology in Western China (Ministry of Education), Shaanxi Provincial Key Laboratory of Biotechnology, Xi' an 710069 (China); Chen, Sanping, E-mail: [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710069 (China)


    Reaction of Cu(II) with an asymmetric semi-rigid organic ligand 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid (HL), yielded five compounds, [Cu{sub 0.5}L]{sub n} (1), [Cu(HL){sub 2}Cl{sub 2}]{sub n} (2), [Cu(HL){sub 2}Cl{sub 2}(H{sub 2}O)] (3), [Cu(L){sub 2}(H{sub 2}O)]{sub n} (4) and [Cu(L)(phen)(HCO{sub 2})]{sub n} (5), which have been fully characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction. As for compounds 1, 2 and 5, Cu(II) is bridged through HL, Cl{sup -}, and formic acid, respectively, featuring 1D chain-structure. In compound 3, Cu(II) with hexahedral coordination sphere is assembled through hydrogen-bonding into 3D supramolecular framework. In compound 4, 1D chain units –Cu–O–Cu–O– are ligand-bridged into a 3D network. All compounds were tested on fungi (Fusarium graminearum, Altemaria solani, Macrophoma kawatsukai, Alternaria alternata and Colletotrichum gloeosporioides). Compound 1 exhibits a better antifungal effect compared to other compounds. An effect of structure on the antifungal activity has also been correlated. - Graphical abstract: Copper(II) compounds with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid, were prepared, structurally characterized and investigated for antifungal activity. - Highlights: • The title compounds formed by thermodynamics and thermokinetics. • The five compounds show higher inhibition percentage than reactants. • The structure effect on the antifungal activity.

  4. Characterization of inhibitory effects of the potential therapeutic inhibitors, benzoic acid and pyridine derivatives, on the monophenolase and diphenolase activities of tyrosinase

    Nematollah Gheibi


    Full Text Available Objective(s:Involvement of tyrosinase in the synthesis of melanin and cell signaling pathway has made it an attractive target in the search for therapeutic inhibitors for treatment of different skin hyperpigmentation disorders and melanoma cancers. Materials and Methods: In the present study, we conducted a comprehensive kinetic analysis to understand the mechanisms of inhibition imposed by 2-amino benzoic acid, 4-amino benzoic acid, nicotinic acid, and picolinic acid on the monophenolase and diphenolase activities of the mushroom tyrosinase, and then MTT assay was exploited to evaluate their toxicity on the melanoma cells. Results: Kinetic analysis revealed that nicotinic acid and picolinic acid competitively restricted the monophenolase activity with inhibition constants (Ki of 1.21 mM and 1.97 mM and the diphenolase activity with Kis of 2.4 mM and 2.93 mM, respectively. 2-aminobenzoic acid and 4-aminobenzoic acid inhibited the monophenolase activity in a non-competitive fashion with Kis of 5.15 µM and 3.8 µM and the diphenolase activity with Kis of 4.72 µM and 20 µM, respectively. Conclusion: Our cell-based data revealed that only the pyridine derivatives imposed cytotoxicity in melanoma cells. Importantly, the concentrations of the inhibitors leading to 50% decrease in the cell density (IC50 werecomparable to those causing 50% drop in the enzyme activity, implying that the observed cytotoxicity is highly likely due to the tyrosinase inhibition. Moreover, our cell-based data exhibited that the pyridine derivatives acted as anti-proliferative agents, perhaps inducing cytotoxicity in the melanoma cells through inhibition of the tyrosinase activities.

  5. Development and validation of an HPLC-DAD method for simultaneous determination of cocaine, benzoic acid, benzoylecgonine and the main adulterants found in products based on cocaine.

    Floriani, Gisele; Gasparetto, João Cleverson; Pontarolo, Roberto; Gonçalves, Alan Guilherme


    Here, an HPLC-DAD method was developed and validated for simultaneous determination of cocaine, two cocaine degradation products (benzoylecgonine and benzoic acid), and the main adulterants found in products based on cocaine (caffeine, lidocaine, phenacetin, benzocaine and diltiazem). The new method was developed and validated using an XBridge C18 4.6mm×250mm, 5μm particle size column maintained at 60°C. The mobile phase consisted of a gradient of acetonitrile and ammonium formate 0.05M - pH 3.1, eluted at 1.0mL/min. The volume of injection was 10μL and the DAD detector was set at 274nm. Method validation assays demonstrated suitable sensitivity, selectivity, linearity, precision and accuracy. For selectivity assay, a MS detection system could be directly adapted to the method without the need of any change in the chromatographic conditions. The robustness study indicated that the flow rate, temperature and pH of the mobile phase are critical parameters and should not be changed considering the conditions herein determined. The new method was then successfully applied for determining cocaine, benzoylecgonine, benzoic acid, caffeine, lidocaine, phenacetin, benzocaine and diltiazem in 115 samples, seized in Brazil (2007-2012), which consisted of cocaine paste, cocaine base and salt cocaine samples. This study revealed cocaine contents that ranged from undetectable to 97.2%, with 97 samples presenting at least one of the degradation products or adulterants here evaluated. All of the studied degradation products and adulterants were observed among the seized samples, justifying the application of the method, which can be used as a screening and quantification tool in forensic analysis.

  6. Simultaneous determination of salicylic, 3-methyl salicylic, 4-methyl salicylic, acetylsalicylic and benzoic acids in fruit, vegetables and derived beverages by SPME-LC-UV/DAD.

    Aresta, Antonella; Zambonin, Carlo


    Salicylic and benzoic acid are phenolic acids occurring in plant cells, thus they can be present in fruit and vegetables at various levels. They possess anti-inflammatory and antimicrobial properties, however they may induce symptoms and health problems in a small percentage of the population. Therefore, a low phenolic acid diet may be of clinical benefit to such individuals. In order to achieve this goal, the concentration of these substances in different food and beverages should be assessed. The present work describes for the first time a new method, based on solid phase microextraction (polydimethylsiloxane-divinylbenzene fiber) coupled to liquid chromatography with UV diode array detection, for the simultaneous determination of salicylic acid, 3-methyl salicylic acid, 4-methyl salicylic acid, acetylsalicylic acid and benzoic acid in selected fruit, vegetables and beverages. All the aspects influencing fiber adsorption (time, temperature, pH, salt addition) and desorption (desorption and injection time, desorption solvent mixture composition) of the analytes have been investigated. An isocratic separation was performed using an acetonitrile-phosphate buffer (pH 2.8; 2 mM) mixture (70:30, v/v) as the mobile phase. The estimated LOD and LOQ values (μg/mL) were in the range 0.002-0.028 and 0.007-0.095. The within-day and day-to-day precision values (RSD%) were between 4.7-6.1 and 6.6-9.4, respectively. The method has been successfully applied to the analysis of fava beans, blueberries, kiwi, tangerines, lemons, oranges and fruit juice (lemon and blueberry) samples. The major advantage of the method is that it only requires simple homogenization and/or centrifugation and dilution steps prior to SPME and injection in the LC system.

  7. Disproportionation Kinetics of Hypoiodous Acid As Catalyzed and Suppressed by Acetic Acid-Acetate Buffer.

    Urbansky, Edward T.; Cooper, Brian T.; Margerum, Dale W.


    The kinetics of the disproportionation of hypoiodous acid to give iodine and iodate ion (5HOI right harpoon over left harpoon 2I(2) + IO(3)(-) + H(+) + 2H(2)O) are investigated in aqueous acetic acid-sodium acetate buffer. The rate of iodine formation is followed photometrically at -log [H(+)] = 3.50, 4.00, 4.50, and 5.00, &mgr; = 0.50 M (NaClO(4)), and 25.0 degrees C. Both catalytic and inhibitory buffer effects are observed. The first process is proposed to be a disproportionation of iodine(I) to give HOIO and I(-); the iodide then reacts with HOI to give I(2). The reactive species (acetato-O)iodine(I), CH(3)CO(2)I, is postulated to increase the rate by assisting in the formation of I(2)O, a steady-state species that hydrolyzes to give HOIO and I(2). Inhibition is postulated to result from the formation of the stable ion bis(acetato-O)iodate(I), (CH(3)CO(2))(2)I(-), as buffer concentration is increased. This species is observed spectrophotometrically with a UV absorption shoulder (lambda = 266 nm; epsilon = 530 M(-)(1) cm(-)(1)). The second process is proposed to be a disproportionation of HOIO to give IO(3)(-) and I(2). Above 1 M total buffer, the reaction becomes reversible with less than 90% I(2) formation. Rate and equilibrium constants are resolved and reported for the proposed mechanism.


    CHEN Yuying; YUAN Guoqing; CHEN Rongyao


    The kinetic study of carbonylation of methanol-acetic acid mixture to acetic acid and acetic anhydride over a cis-dicarbonylrhodium complex (MVM' Rh)coordinated with the ethylene diacrylate (M')crosslinked copolymer of methyl acrylate (M) and 2 - vinylpyridine (V) shows that the rate of reaction is zero order with respect to both reactants methanol and carbon monoxide, but first order in the concentrations of promoter methyl iodide and rhodium in the complex . Polar solvents can accelerate the reaction .Activation parameters were calculated from the experimental results, being comparable to that of the homogeneous system . A mechanism similar to that of soluble rhodium catalyst was proposed .

  9. Densities, speeds of sound, and refractive indices of the ternary mixtures (toluene + methyl acetate + butyl acetate) and (toluene + methyl acetate + methyl heptanoate) at 298.15 K

    Mariano, Alejandra [Departamento de Quimica, Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400 (8300) Neuquen (Argentina); Postigo, Miguel [Departamento de Quimica, Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400 (8300) Neuquen (Argentina)]. E-mail:; Gonzalez-Salgado, Diego [Departamento de Fisica Aplicada, Universidad de Vigo, Facultad de Ciencias del Campus de Ourense, E 32004 Ourense (Spain); Romani, Luis [Departamento de Fisica Aplicada, Universidad de Vigo, Facultad de Ciencias del Campus de Ourense, E 32004 Ourense (Spain)


    Density, {rho}, speed of sound, u, and refractive index, n {sub D}, at 298.15 K and atmospheric pressure have been measured over the entire composition range for (toluene + methyl acetate + butyl acetate) and (toluene + methyl acetate + methyl heptanoate) systems. Excess molar volumes, V {sup E}, isentropic compressibility, {kappa} {sub s}, isentropic compressibility deviations, {delta}{kappa} {sub s}, and changes of refractive index on mixing, {delta}n {sub D}, for the above systems, have been calculated from experimental data and fitted to Cibulka, Singh et al., and Nagata and Sakura equations, standard deviations from the regression lines are shown. Geometrical solution models, Tsao and Smith, Kholer, Jacob and Fitzner, Rastogi et al. were also applied to predict ternary properties from binary contributions.

  10. Measurement and modelization of VLE of binary mixtures of propyl acetate, butyl acetate or isobutyl acetate with methanol at pressure of 0.6 MPa

    P Susial; D Garca; R Susial; YC Clavijo; A Martn


    The vapor–liquid equilibrium of binary mixtures of propyl acetate, butyl acetate and isobutyl acetate with meth-anol has been determined at a constant pressure of 0.6 MPa. Results have been modeled with the Peng–Robinson equation, a traditional cubic equation of state widely employed in chemical industries, as well as with the perturbed-chain statistical associating fluid PC-SAFT theory of Gross–Sadowski. By correlation of the binary inter-action parameters of these equations, the measured vapor–liquid equilibrium data can be accurately predicted. Thus, this work shows that these models are able to represent the experimental data for systems with associating compounds via hydrogen bonding.


    present investigation the carbohydrate content of the liver was drastically reduced by fasting rats both at 25 C. and 0 C. Acetate oxidation is greatly depressed by the lowering of the hepatic carbohydrate level. (Author)

  12. Development of Chitosan Acetate Films for Transdermal Delivery of ...


    India. Abstract. Purpose: To formulate and evaluate chitosan acetate films designed for transdermal delivery of ... been found to have antibacterial activity and can be used as such, .... blotted with filter paper and weighed on a digital balance.


    Yun Chen; Xiao-peng Xiong; Guang Yang; Li-na Zhang; Sen-lin Lei; Hui Lianga


    A series of cellulose acetate membranes were prepared by using formamide as additive, and then were hydrolyzedin 4 wt% aqueous NaOH solution for 8 h to obtain regenerated cellulose membranes. The dependence of degree ofsubstitution, structure, porous properties, solubility and thermal stability on hydrolysis time was studied by chemical titration,Fourier transform infrared spectroscopy, scanning electron microscopy, wide-angle X-ray diffraction, and differentialscanning calorimetry, respectively. The results indicated that the pore size of the regenerated cellulose membranes wasslightly smaller than that of cellulose acetate membrane, while solvent-resistance, crystallinity and thermostability weresignificantly improved. This work provides a simple way to prepare the porous cellulose membranes, which not only kept thegood pore characteristics of cellulose acetate membranes, but also possessed solvent-resistance, high crystallinity andthermostability. Therefore, the application range of cellulose acetate membranes can be expanded.

  14. Comparison of visual inspection with acetic acid (via) with ...

    Comparison of visual inspection with acetic acid (via) with papanicolaou ... Abstract. Background: Cervical cancer is the second most common killer ... VIA while 10 (4.2%) had heard about Pap smear test as a screening test for cervical cancer.

  15. Ammonia effect on hydrogenotrophic methanogens and syntrophic acetate oxidizing bacteria

    Wang, Han; Fotidis, Ioannis; Angelidaki, Irini


    Ammonia-rich substrates can cause inhibition on anaerobic digestion process. Syntrophic acetate oxidizing bacteria (SAOB) and hydrogenotrophic methanogens are important for the ammonia inhibitory mechanism on anaerobic digestion. The roles and interactions of SAOB and hydrogenotrophic methanogens...

  16. Catalytic Esterification of Methyl Alcohol with Acetic Acid


    Esterification of methyl alcohol with acetic acid catalysed by Amberlyst-15 (cation-exchange resin) was carried out in a batch reactor in the temperature ranging between 318-338 K, at atmospheric pressure. The reaction rate increased with increase in catalyst concentration and reaction temperature, but decreased with an increase in water concentration. Stirrer speed had virtually no effect on the rate under the experimental conditions. The rate data were correlated with a second-order kinetic model based on homogeneous reaction. The apparent activation energy was found to be 22.9kJ.mo1-1 for the formation of methyl acetate. The methyl acetate production was carried out aa batch and continuous in a packed bed restive distillation column with high purity methyl acetate produced.

  17. The role of glass composition in the behaviour of glass acetic acid and glass lactic acid cements.

    Shahid, Saroash; Billington, R W; Pearson, G J


    Cements have recently been described, made from glass ionomer glass reacted with acetic and lactic acid instead of polymeric carboxylic acid. From their behaviour a theory relating to a possible secondary setting mechanism of glass ionomer has been adduced. However, only one glass (G338) was used throughout. In this study a much simpler glass ionomer glass (MP4) was compared with G338. This produced very different results. With acetic acid G338 formed cement which became resistant to water over a period of hours, as previously reported, MP4 formed cement which was never stable to water. With lactic acid G338 behaved similarly to G338 with acetic acid, again as reported, but MP4 produced a cement which was completely resistant to water at early exposure and unusually became slightly less resistant if exposure was delayed for 6 h or more. These findings indicate that the theories relating to secondary setting in glass ionomer maturation may need revision.

  18. Probiotic and Acetic Acid Effect on Broiler Chickens Performance

    Martin Král; Mária Angelovičová; Ľubica Mrázová; Jana Tkáčová; Martin Kliment


    Probiotics and organic acids are widely accepted as an alternative to in-feed antibiotics in poultry production. We carried the experiment with broiler chickens. In experiment we research effect of probiotic and acetic acids on the performance of broiler chickens. A total number of 200 one day old broiler chickens were distributed to two dietary groups. Broiler chickens in control group were fed with standard feed mixture and experimental group 1% vinegar contained 5% acetic acid used in drin...

  19. Proteome analysis of Acetobacter pasteurianus during acetic acid fermentation.

    Andrés-Barrao, Cristina; Saad, Maged M; Chappuis, Marie-Louise; Boffa, Mauro; Perret, Xavier; Ortega Pérez, Ruben; Barja, François


    Acetic acid bacteria (AAB) are Gram-negative, strictly aerobic microorganisms that show a unique resistance to ethanol (EtOH) and acetic acid (AcH). Members of the Acetobacter and Gluconacetobacter genera are capable of transforming EtOH into AcH via the alcohol dehydrogenase (ADH) and aldehyde dehydrogenase (ALDH) enzymes and are used for the industrial production of vinegar. Several mechanisms have been proposed to explain how AAB resist high concentrations of AcH, such as the assimilation of acetate through the tricarboxylic acid (TCA) cycle, the export of acetate by various transporters and modifications of the outer membrane. However, except for a few acetate-specific proteins, little is known about the global proteome responses to AcH. In this study, we used 2D-DIGE to compare the proteome of Acetobacter pasteurianus LMG 1262(T) when growing in glucose or ethanol and in the presence of acetic acid. Interesting protein spots were selected using the ANOVA p-value of 0.05 as threshold and 1.5-fold as the minimal level of differential expression, and a total of 53 proteins were successfully identified. Additionally, the size of AAB was reduced by approximately 30% in length as a consequence of the acidity. A modification in the membrane polysaccharides was also revealed by PATAg specific staining.

  20. Genetic organization of Acetobacter for acetic acid fermentation.

    Beppu, T

    Plasmid vectors for the acetic acid-producing strains of Acetobacter and Gluconobacter were constructed from their cryptic plasmids and the efficient transformation conditions were established. The systems allowed to reveal the genetic background of the strains used in the acetic acid fermentation. Genes encoding indispensable components in the acetic acid fermentation, such as alcohol dehydrogenase, aldehyde dehydrogenase and terminal oxidase, were cloned and characterized. Spontaneous mutations at high frequencies in the acetic acid bacteria to cause the deficiency in ethanol oxidation were analyzed. A new insertion sequence element, IS1380, was identified as a major factor of the genetic instability, which causes insertional inactivation of the gene encoding cytochrome c, an essential component of the functional alcohol dehydrogenase complex. Several genes including the citrate synthase gene of A. aceti were identified to confer acetic acid resistance, and the histidinolphosphate aminotransferase gene was cloned as a multicopy suppressor of an ethanol sensitive mutant. Improvement of the acetic acid productivity of an A. aceti strain was achieved through amplification of the aldehyde dehydrogenase gene with a multicopy vector. In addition, spheroplast fusion of the Acetobacter strains was developed and applied to improve their properties.

  1. The Solubility Rules: Why Are All Acetates Soluble?

    van der Sluys, William G.


    According to the solubility rules presented in many introductory chemistry texts, all (or most) acetate salts are soluble in aqueous solution. The thermodynamic factors that contribute to the solubility of acetates are compared with those of other slightly basic anions. In particular, the hydration enthalpy of acetate is calculated using the Born-Haber approach, from lattice energies, heats of solution, and the hydration energies of several cations. The hydration enthalpy of acetate (-375 kJ/mol) is similar to that of chloride ({355 kJ/mol), nitrite ({383 kJ/mol), and nitrate ({370 kJ/mol), which are all considerably less exothermic than fluoride ({497 kJ/mol). This was somewhat unexpected, since hydration enthalpies generally correlate well with the acid-base properties of an ion, and acetate is more basic than fluoride. Factors influencing the solubility and acid-base properties of acetates, such as the electron donating and hydrophobic nature of the methyl group, are discussed in light of the thermodynamic data.

  2. Incensole acetate: a novel neuroprotective agent isolated from Boswellia carterii.

    Moussaieff, Arieh; Shein, Na'ama A; Tsenter, Jeanna; Grigoriadis, Savvas; Simeonidou, Constantina; Alexandrovich, Alexander G; Trembovler, Victoria; Ben-Neriah, Yinon; Schmitz, Michael L; Fiebich, Bernd L; Munoz, Eduardo; Mechoulam, Raphael; Shohami, Esther


    Boswellia resin has been used as a major anti-inflammatory agent and for the healing of wounds for centuries. Incensole acetate (IA), isolated from this resin, was shown to inhibit the activation of nuclear factor-kappaB, a key transcription factor in the inflammatory response. We now show that IA inhibits the production of inflammatory mediators in an in vitro model system of C6 glioma and human peripheral monocytes. Given the involvement of postinjury inflammation in the pathophysiology and outcome of traumatic brain injury, we examined the effect of IA on the inflammatory process and on the recovery of neurobehavioral and cognitive functions in a mouse model of closed head injury (CHI). In the brains of post-CHI mice, IA reduced glial activation, inhibited the expression of interleukin-1beta, and tumor necrosis factor-alpha mRNAs, and induced cell death in macrophages at the area of trauma. A mild hypothermic effect was also noted. Subsequently, IA inhibited hippocampal neurodegeneration and exerted a beneficial effect on functional outcome after CHI, indicated by reduced neurological severity scores and improved cognitive ability in an object recognition test. This study attributes the anti-inflammatory activity of Boswellia resin to IA and related cembranoid diterpenes and suggests that they may serve as novel neuroprotective agents.

  3. Carboxymethyl Cellulose Acetate Butyrate: A Review of the Preparations, Properties, and Applications

    Mohamed El-Sakhawy


    Full Text Available Carboxymethyl cellulose acetate butyrate (CMCAB has gained increasing importance in several fields, particularly in coating technologies and pharmaceutical research. CMCAB is synthesized by esterification of CMC sodium salt with acetic and butyric anhydrides. CMCAB mixed esters are relatively high molecular weight (MW thermoplastic polymers with high glass transition temperatures (Tg. CMCAB ester is dispersible in water and soluble in a wide range of organic solvents, allowing varied opportunity to the solvent choice. It makes application of coatings more consistent and defect-free. Its ability to slow down the release rate of highly water-soluble compounds and to increase the dissolution of poorly soluble compounds makes CMCAB a unique and potentially valuable tool in pharmaceutical and amorphous solid dispersions (ASD formulations.

  4. Synthesis and in vitro anticancer activity of 2,4-azolidinedione-acetic acids derivatives.

    Kaminskyy, Danylo; Zimenkovsky, Borys; Lesyk, Roman


    The synthesis and evaluation of anticancer activity of 2,4-thia(imida)zolidinedione-3- and 5-acetic acids amides were described. The structures of compounds were determined by IR, (1)H NMR, and MS analysis. In vitro anticancer activity of these compounds has been tested in National Cancer Institute (NCI) and the relationships between structure and anticancer activity are discussed. Among 2,4-azolidinedione-acetic acids derivatives 2-[5-(4-chlorobenzylidene)-2,4-dioxo-imidazolidin-3-yl]-N-(2-trifluoromethyl-phenyl)-acetamide (Ic) was superior to other related compounds in terms of high selectivity for the leukemia CCRF-CEM (logGI(50)=-6.06), HL-60(TB) (logGI(50)=-6.53), MOLT-4 (logGI(50)=-6.52) and SR (logGI(50)=-6.51) cell lines.

  5. Hydration of AN Acid Anhydride: the Water Complex of Acetic Sulfuric Anhydride

    Smith, CJ; Huff, Anna; Mackenzie, Becca; Leopold, Ken


    The water complex of acetic sulfuric anhydride (ASA, CH_{3}COOSO_{2}OH) has been observed by pulsed nozzle Fourier transform microwave spectroscopy. ASA is formed in situ in the supersonic jet via the reaction of SO_{3} and acetic acid and subsequently forms a complex with water during the expansion. Spectra of the parent and fully deuterated form, as well as those of the species derived from CH_{3}^{13}COOH, have been observed. The fitted internal rotation barrier of the methyl group is 219.599(21), \\wn indicating the complexation with water lowers the internal rotation barrier of the methyl group by 9% relative to that of free ASA. The observed species is one of several isomers identified theoretically in which the water inserts into the intramolecular hydrogen bond of the ASA. Aspects of the intermolecular potential energy surface are discussed.

  6. Microwave solid phase synthesis and crystal structure of benzoic acid 3-hydroxy -4- ( 3-hydroxy-3-phenylacryloyl ) phenyl benzoate-zinc ( Ⅱ ) complex%苯甲酸3-羟基-4-(3-羟基-3-苯基丙烯酰)-苯酯合锌(Ⅱ)配合物的微波固相合成及晶体结构

    卢露; 徐锁平; 徐郭; 姚佰全; 顾小芳


    以苯甲酸3-羟基-4-(3-羟基-3-苯基丙烯酰)-苯酯和醋酸锌为原料,在微波辅助作用下固相合成了苯甲酸3-羟基4-(3-羟基-3-苯基丙烯酰)-苯酯合锌(Ⅱ)配合物.利用红外光谱及单晶X射线法对目标化合物进行了表征.结果显示,该配合物为三斜晶系,空间群为P-1,晶体学参数:a=0.716 9(7) nm,b=0.939 8(2) nm,c=1.645 6(5)nm; α=106.584(2)°,β=95.591 0(10)°,γ=90.988 0(10)°; F(000) =456,Z=1,V=1.056 5(3)nm3,Dc=1.377 9·cm-3,Mr=876.19.最终结构偏离因子R=0.040 3,Rω=0.094 1,S=1.022.最终差值电子密度的最大值和最小值分别为282 nm-3和-334 nm-3.%The complex benzoic acid 3-hydroxy-4-(3-hydroxy-3-phcnyl-aeryloyl)-phcnyl benzoate-zinc( Ⅱ) has been designed and microwave solid phase synthesized by benzoic acid 3-hydroxy-4-(3-hydroxy-3-phenyl-acryloyl)-phenyl benzoate and zinc acetate. The structure was determined by IR and single X-ray crystallography analysis. The title complex crystallizes in the triclinic space group P-l with the cell parameters α = 0. 716 9(7) nm.,b≠0. 939 8(2) nm, c=l. 645 6(5) nm;α=106. 584(2) °β=95. 591 0(10)°,γ= 90. 988 0(10)°;F(000) = 456,Z= 1,V= 1. 056 5(3) nm3,Dc = l. 377 g ·cm-3, M, =876. 19,R = 0. 040 3,Rω =0.094 1,S= 1.022. The largest difference in peak and hole of electron density are 282 nm-3 and -334 nm-3.

  7. Laboratory millimeter wave spectrum and astronomical search for vinyl acetate

    Kolesniková, L.; Peña, I.; Alonso, J. L.; Cernicharo, J.; Tercero, B.; Kleiner, I.


    Context. The recent discovery of methyl acetate in Orion KL makes vinyl acetate, CH3C=OOCH=CH2, a potential molecule in the interstellar medium. We obtained very accurate spectroscopic constants in a comprehensive laboratory analysis of its rotational spectra which can be used to predict those transition frequencies towards interstellar sources. Aims: We present the experimental study and theoretical analysis of the ground torsional state of vinyl acetate in a large spectral range for astrophysical use. Methods: The room-temperature rotational spectrum of vinyl acetate has been measured from 125 to 305 GHz to provide direct frequencies to the astronomical community. Additional measurements have also been made using a broadband CP-FTMW spectrometer in the region of 6-18 GHz. Transition lines, corresponding to the most stable conformer, have been observed and assigned. All the rotational transitions revealed the A-E splitting due to the methyl internal rotation and had to be treated with a specific internal rotation code (BELGI-Cs). Results: We analyzed 2508 transitions up to J'' = 75 for vt = 0 for the most stable conformer of vinyl acetate. The new lines were globally fitted with previously published data and 24 parameters of the Hamiltonian were accurately determined. The spectral features of vinyl acetate were then searched for in Orion KL. Using the whole line survey of Orion KL (80-280 GHz) obtained with the IRAM 30 m radio telescope we can provide only an upper limit to the column density of vinyl acetate. However, using the ALMA science verification data we obtain a tentative detection of this species that will require further search at other frequencies to confirm its presence in this high mass star forming region. Table 2 is only available at the CDS via anonymous ftp to ( or via

  8. Thermodynamic properties of actinide complexes. II. Thorium(IV)--acetate system. [Formation of thorium(IV)-acetate complexes in aqueous perchlorate medium

    Portanova, R.; Di Bernardo, P.; Traverso, O.; Mazzocchin, G.A.; Magon, L.


    The changes in free energy, enthalpy and entropy for the formation of thorium(IV)--acetate complexes have been determined at 25/sup 0/C and in 1.00 M aqueous perchlorate-medium. All five complexes formed, are found to be stabilized by a large gain of entropy. The marked increase in the values of j/ and j/, relative to the third step of complexation has been explained in terms of a coordination change.

  9. Clustering, methodology, and mechanistic insights into acetate chemical ionization using high-resolution time-of-flight mass spectrometry

    Brophy, Patrick; Farmer, Delphine K.


    We present a comprehensive characterization of cluster control and transmission through the Tofwerk atmospheric pressure interface installed on various chemical ionization time-of-flight mass spectrometers using authentic standards. This characterization of the atmospheric pressure interface allows for a detailed investigation of the acetate chemical ionization mechanisms and the impact of controlling these mechanisms on sensitivity, selectivity, and mass spectral ambiguity with the aim of non-targeted analysis. Chemical ionization with acetate reagent ions is controlled by a distribution of reagent ion-neutral clusters that vary with relative humidity and the concentration of the acetic anhydride precursor. Deprotonated carboxylic acids are primarily detected only if sufficient declustering is employed inside the atmospheric pressure interface. The configuration of a high-resolution time-of-flight chemical ionization mass spectrometer (HR-TOF-CIMS) using an acetate chemical ionization source for non-targeted analysis is discussed. Recent approaches and studies characterizing acetate chemical ionization as it applies to the HR-TOF-CIMS are evaluated in light of the work presented herein.

  10. Comparative Genomics of Acetobacterpasteurianus Ab3, an Acetic Acid Producing Strain Isolated from Chinese Traditional Rice Vinegar Meiguichu.

    Xia, Kai; Li, Yudong; Sun, Jing; Liang, Xinle


    Acetobacter pasteurianus, an acetic acid resistant bacterium belonging to alpha-proteobacteria, has been widely used to produce vinegar in the food industry. To understand the mechanism of its high tolerance to acetic acid and robust ability of oxidizing ethanol to acetic acid (> 12%, w/v), we described the 3.1 Mb complete genome sequence (including 0.28 M plasmid sequence) with a G+C content of 52.4% of A. pasteurianus Ab3, which was isolated from the traditional Chinese rice vinegar (Meiguichu) fermentation process. Automatic annotation of the complete genome revealed 2,786 protein-coding genes and 73 RNA genes. The comparative genome analysis among A. pasteurianus strains revealed that A. pasteurianus Ab3 possesses many unique genes potentially involved in acetic acid resistance mechanisms. In particular, two-component systems or toxin-antitoxin systems may be the signal pathway and modulatory network in A. pasteurianus to cope with acid stress. In addition, the large numbers of unique transport systems may also be related to its acid resistance capacity and cell fitness. Our results provide new clues to understanding the underlying mechanisms of acetic acid resistance in Acetobacter species and guiding industrial strain breeding for vinegar fermentation processes.

  11. 21 CFR 862.1390 - 5-Hydroxyindole acetic acid/serotonin test system.


    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false 5-Hydroxyindole acetic acid/serotonin test system... Test Systems § 862.1390 5-Hydroxyindole acetic acid/serotonin test system. (a) Identification. A 5-hydroxyindole acetic acid/serotonin test system is a device intended to measure 5-hydroxyindole acetic acid...

  12. 21 CFR 177.1360 - Ethylene-vinyl acetate-vinyl alcohol copolymers.


    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ethylene-vinyl acetate-vinyl alcohol copolymers... acetate-vinyl alcohol copolymers. Ethylene-vinyl acetate-vinyl alcohol copolymers (CAS Reg. No. 26221-27-2... accordance with the following prescribed conditions: (a) Ethylene-vinyl acetate-vinyl alcohol copolymers...

  13. Acetic acid as a decontamination method for sink drains in a nosocomial outbreak of metallo-β-lactamase-producing Pseudomonas aeruginosa.

    Stjärne Aspelund, A; Sjöström, K; Olsson Liljequist, B; Mörgelin, M; Melander, E; Påhlman, L I


    Pseudomonas aeruginosa may colonize water systems via biofilm formation. In hospital environments, contaminated sinks have been associated with nosocomial transmission. Here we describe a prolonged outbreak of a metallo-β-lactamase-producing P. aeruginosa (Pae-MBL) associated with sink drains, and propose a previously unreported decontamination method with acetic acid. To describe a nosocomial outbreak of Pae-MBL associated with hospital sink drains and to evaluate acetic acid as a decontamination method. The outbreak was investigated by searching the microbiology database, microbiological sampling and strain typing. Antibacterial and antibiofilm properties of acetic acid were evaluated in vitro. Pae-MBL-positive sinks were treated with 24% acetic acid once weekly and monitored with repeated cultures. Fourteen patients with positive cultures for Pae-MBL were identified from 2008 to 2014. The patients had been admitted to three wards, where screening discovered Pae-MBL in 12 sink drains located in the patient bathrooms. Typing of clinical and sink drain isolates revealed identical or closely related strains. Pae-MBL biofilm was highly sensitive to acetic acid with a minimum biofilm eradication concentration of 0.75% (range: 0.19-1.5). Weekly treatment of colonized sink drains with acetic acid resulted in negative cultures and terminated transmission. Acetic acid is highly effective against Pae-MBL biofilms, and may be used as a simple method to decontaminate sink drains and to prevent nosocomial transmission. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  14. Enantioselective Additions of Boronates to Chromene Acetals Catalyzed by a Chiral Brønsted acid-Lewis acid System

    Moquist, Philip N.; Kodama, Tomohiro; Schaus, Scott E.


    Chiral α,β-dihydroxy carboxylic acids catalyze the enantioselective addition of alkenyl- and aryl boronates to chromene acetals. The optimal carboxylic acid is a tartaric acid amide, easily synthesized via a 3-step procedure. The reaction is enhanced by the addition of Lanthanide triflate salts such as cerium(IV)-and ytterbium(III) triflate. The chiral Brønsted acid and metal Lewis acid may be used in as low as 5 mol % relative to acetal substrate. Optimization of the reaction conditions can lead to yields >70% and enantiomeric ratios as high as 99:1. Spectroscopic and kinetic mechanistic studies demonstrate an exchange process leading to a reactive dioxoborolane intermediate leading to enantioselective addition to the pyrylium generated from the chromene acetal. PMID:20721997

  15. The use of sodium alginate-based coating and cellulose acetate in papaya post-harvest preservation

    Denise Andrade Silva


    Full Text Available This study aimed to evaluate the ripening of papaya fruit (Carica papaya L. at room temperature (±25°C and10°C with 80% relative humidity, coated with edible film based on sodium alginate (1% and cellulose acetate film (3% by dipping the fruit in the suspensions for 1 min. On the application of the treatment and every three days during 12 days of storage, fruit were evaluated for weight loss, firmness, total carotenoid content, lycopene content and vitamin C content of the pulp. The cellulose acetate film extended the shelf-life of papayas, without affecting their quality. This treatment delayed fruit ripening, whose changes in all the parameters analyzed were significantly slower than fruit treated with sodium alginate-based coating. The coating with cellulose acetate at 3% was more effective in the preservation of papaya stored for 12 days under both temperatures.

  16. Modeling of the Thermodynamics of the Acetic Acid−Water Mixture Using the Cubic-Plus-Association Equation of State

    Breil, Martin Peter; Kontogeorgis, Georgios; Behrens, Paul K.


    density, enthalpy of vaporization, and vapor-phase compressibility factor data. The CPA-HV parameters have been fitted to, among others, experimental vapor compressibility factor data and experimental relative volatility data at different temperature ranges. The purpose of the work was to investigate...... whether the CPA-HV model can describe the vapor−liquid equilibrium for acetic acid−water over a temperature range of 200 K and at the same time represent the behavior of pure acetic acid and acetic acid−water mixtures with respect to enthalpies of vaporization and compressibility factors. It is shown...... that satisfactory results are overall obtained, but if an excellent match is needed over the whole temperature range, then different interaction parameters need to be used at the various temperature ranges....

  17. Acetate consumption in anoxic marine sediments: Identification of key players using mixed pure cultures and sediment incubations

    Na, Hyunsoo

    the flexibility of the microbial communities in response to different geochemical conditions, in high resolution, with biological replicates, using Ion Torrent sequencing. Secondly, we used two different sediment incubation techniques, dialysis tube batch and continuous flow-through bioreactors, to identify...... sulfate for a year were comparable to those of sediment incubated with high sulfate, on phylum/class levels, but within Deltaproteobacteria, certain sulfate reducers such as Desulfobacterium anilini was found only with low sulfate. In continuous flow-through reactors, bacteria mainly involved in sulfur...... at 10 mM acetate-2 mM (low) sulfate and lower (0.1 and 1 mM) acetate-high sulfate conditions, as revealed by Ion Torrent sequencing of 16S rRNA gene sequences. At 0.1 and 1 mM acetate concentrations, members of the phyla Firmicutes (Fusibacter-related), Fusobacteria, and Bacteroidetes were predominantly...

  18. Stable acetate production in extreme-thermophilic (70ºC) mixed culture fermentation by selective enrichment of hydrogenotrophic methanogens

    Zhang, F.; Zhang, Y.; Ding, J.; Dai, K.; Van Loosdrecht, M.C.M.; Zeng, R.J.


    The control of metabolite production is difficult in mixed culture fermentation. This is particularly related to hydrogen inhibition. In this work, hydrogenotrophic methanogens were selectively enriched to reduce the hydrogen partial pressure and to realize efficient acetate production in extreme-th

  19. Importance of the surrounding colonic mucosa in distinguishing between hyperplastic and adenomatous polyps during acetic acid chromoendoscopy

    Jeong Hwan Kim; Sun-Young Lee; Byung Kook Kim; Won Hyeok Choe; So Young Kwon; In-Kyung Sung; Hyung-Seok Park; Choon-Jo Jin


    AIM: To examine the characteristics of colonic polyps, where it is difficult to distinguish adenomatous polyps from hyperplastic polyps, with the aid of acetic acid chromoendoscopy.METHODS: Acetic acid spray was applied to colonic polyps smaller than 10 mm before complete excision. Endoscopic images were taken before and 15-30 s after the acetic acid spray. Both pre- and post-sprayed images were shown to 16 examiners, who were asked to interpret the lesions as either hyperplastic or adenomatous polyps. Regression analysis was performed to determine which factors were most likely related to diagnostic accuracy.RESULTS: In 50 cases tested by the 16 examiners, the overall accuracy was 62.4% (499/800). Regression analysis demonstrated that surrounding colonic mucosa was the only factor that was significantly related to accuracy in discriminating adenomatous from hyperplastic polyps (P < 0.001). Accuracy was higher for polyps with linear surrounding colonic mucosa than for those with nodular surrounding colonic mucosa (P < 0.001), but was not related to the shape, location, or size of the polyp.CONCLUSION: The accuracy of predicting histology is significantly related to the pattern of colonic mucosa surrounding the polyp. Making a histological diagnosis of colon polyps merely by acetic acid spray is helpful for colon polyps with linear, regularly patterned surrounding colonic mucosa, and less so for those with nodular, irregularly patterned surrounding colonic mucosa.

  20. Stable acetate production in extreme-thermophilic (70ºC) mixed culture fermentation by selective enrichment of hydrogenotrophic methanogens

    Zhang, F.; Zhang, Y.; Ding, J.; Dai, K.; Van Loosdrecht, M.C.M.; Zeng, R.J.


    The control of metabolite production is difficult in mixed culture fermentation. This is particularly related to hydrogen inhibition. In this work, hydrogenotrophic methanogens were selectively enriched to reduce the hydrogen partial pressure and to realize efficient acetate production in extreme-th

  1. [Conversion of acetic acid to methane by thermophiles: Progress report

    Zinder, S.


    The objective of this project is to provide an understanding of thermophilic anaerobic microorganisms capable of breaking down acetic acid, the precursor of two-thirds of the methane produced by anaerobic bioreactors. Recent results include: (1) the isolation of Methanothrix strain CALLS-1, which grows much more rapidly than mesophilic strains; (2) the demonstration that thermophilic cultures of Methanosarcina and Methanothrix show minimum thresholds for acetate utilization of 1--2.5 mM and 10--20{mu}m respectively, in agreement with ecological data indicating that Methanothrix is favored by low acetate concentration; (3) the demonstration of high levels of thermostable acetyl-coA synthetase and carbon monoxide dehydrogenase in cell-free extracts of Methanothrix strains CALS-1; (4) the demonstration of methanogenesis from acetate and ATP in cell free extracts of strain CALS-1. (5) the demonstration that methanogenesis from acetate required 2 ATP/methane, and, in contrast to Methanosarcina, was independent of hydrogen and other electron donors; (6) the finding that entropy effects must be considered when predicting the level of hydrogen in thermophilic syntrophic cultures. (7) the isolation and characterization of the Desulfotomaculum thermoacetoxidans. Current research is centered on factors which allow thermophilic Methanothrix to compete with Methanosarcina.

  2. (Conversion of acetic acid to methane by thermophiles: Progress report)

    Zinder, S.


    The objective of this project is to provide an understanding of thermophilic anaerobic microorganisms capable of breaking down acetic acid, the precursor of two-thirds of the methane produced by anaerobic bioreactors. Recent results include: (1) the isolation of Methanothrix strain CALLS-1, which grows much more rapidly than mesophilic strains; (2) the demonstration that thermophilic cultures of Methanosarcina and Methanothrix show minimum thresholds for acetate utilization of 1--2.5 mM and 10--20{mu}m respectively, in agreement with ecological data indicating that Methanothrix is favored by low acetate concentration; (3) the demonstration of high levels of thermostable acetyl-coA synthetase and carbon monoxide dehydrogenase in cell-free extracts of Methanothrix strains CALS-1; (4) the demonstration of methanogenesis from acetate and ATP in cell free extracts of strain CALS-1. (5) the demonstration that methanogenesis from acetate required 2 ATP/methane, and, in contrast to Methanosarcina, was independent of hydrogen and other electron donors; (6) the finding that entropy effects must be considered when predicting the level of hydrogen in thermophilic syntrophic cultures. (7) the isolation and characterization of the Desulfotomaculum thermoacetoxidans. Current research is centered on factors which allow thermophilic Methanothrix to compete with Methanosarcina.

  3. Hydrogen production by fermentation using acetic acid and lactic acid.

    Matsumoto, Mitsufumi; Nishimura, Yasuhiko


    Microbial hydrogen production from sho-chu post-distillation slurry solution (slurry solution) containing large amounts of organic acids was investigated. The highest hydrogen producer, Clostridium diolis JPCC H-3, was isolated from natural environment and produced hydrogen at 6.03+/-0.15 ml from 5 ml slurry solution in 30 h. Interestingly, the concentration of acetic acid and lactic acid in the slurry solution decreased during hydrogen production. The substrates for hydrogen production by C. diolis JPCC H-3, in particular organic acids, were investigated in an artificial medium. No hydrogen was produced from acetic acid, propionic acid, succinic acid, or citric acid on their own. Hydrogen and butyric acid were produced from a mixture of acetic acid and lactic acid, showing that C. diolis. JPCC H-3 could produce hydrogen from acetic acid and lactic acid. Furthermore, calculation of the Gibbs free energy strongly suggests that this reaction would proceed. In this paper, we describe for the first time microbial hydrogen production from acetic acid and lactic acid by fermentation.

  4. Leuprorelin Acetate in Prostate Cancer: a European Update

    Persad R


    Full Text Available This review provides an update on leuprorelin acetate, the world's most widely prescribed depot luteinising hormone-releasing hormone analogue. Leuprorelin acetate has been in clinical use in the palliative treatment of prostate cancer for more than 20 years, but advances continue to be made in terms of convenience and flexibility of administration, and in the incorporation of leuprorelin acetate into novel treatment regimens. The drug is administered in the form of a depot injection containing leuprorelin acetate microspheres, and is at least as effective in suppressing testosterone secretion as orchiectomy. In patients with prostate cancer, serum testosterone levels are reduced to castrate levels (= 50 ng/dl within 2-3 weeks of the first one-month depot injection of 3.75 mg or three-month depot injection of 11.25 mg. Both the one-month and three-month formulations are effective in delaying tumour progression and alleviating symptoms of locally advanced and metastatic prostate cancer. Tolerability is generally good, with side-effects reflecting effective testosterone suppression. Recent studies have investigated the place of leuprorelin acetate as part of continuous or intermittent maximal androgen blockade (MAB and in neoadjuvant therapy (ie, to reduce the size of the prostate and downsize the tumour before radiotherapy. Additional formulations and presentations are in development, including a six-month injection, with the aim of adding to the clinical flexibility and patient acceptability of this important palliative treatment for prostate cancer.

  5. Eslicarbazepine acetate: an update on efficacy and safety in epilepsy.

    Verrotti, Alberto; Loiacono, Giulia; Rossi, Alessandra; Zaccara, Gaetano


    Epilepsy is a common neurological disorder. Despite a broad range of commonly used antiepileptic drugs, approximately 30% of patients with epilepsy have drug resistance or encounter significant adverse effects. Eslicarbazepine acetate is a new central nervous system-active compound with anticonvulsant activity whose mechanism of action is by blocking the voltage-gated sodium channel. Eslicarbazepine acetate was approved by the European Medicines Agency and launched onto the European market in 2009 for adjunctive treatment in adult subjects of partial-onset seizures, with or without secondary generalization. This article provides an overview on the recent studies on eslicarbazepine acetate in the treatment of drug-resistant partial epilepsy. Efficacy and safety of this drug for partial-onset seizures were assessed in four randomized clinical trials with responder rates ranged between 17% and 43%. Adverse events were usually mild to moderate in intensity and the most common were dizziness, somnolence, nausea, diplopia, headache, vomiting, abnormal coordination, blurred vision, vertigo and fatigue. Eslicarbazepine acetate is not recommended below 18 years, but a published phase II trial had the main goal to evaluate the pharmacokinetics, efficacy and safety of this drug in pediatric population. Eslicarbazepine acetate appears to be a safe and effective drug with a linear pharmacokinetics, very low potential for drug-drug interactions and therefore it can offer a valid alternative to current antiepileptic drugs. Additionally, it is undergoing investigation for monotherapy in subjects with partial epilepsy, and other neurological and psychiatric disorders. Copyright © 2013 Elsevier B.V. All rights reserved.

  6. Adiabatic calorimetry (RSST and VSP) tests with sodium acetate

    Kirch, N.W.


    As requested in the subject reference, adiabatic calorimetry (RSST and VSP) tests have been performed with sodium acetate covering TOC concentrations from 3 to 7% with the following results: Exothermic activity noted around 200{degrees}C. Propagating reaction initiated at about 300{degrees}C. Required TOC concentration for propagation estimated at about 6 w% (dry mixture) or about 20 w% sodium acetate. Heat of reaction estimated to be 3.7 MJ per kg of sodium acetate (based on VSP test with 3 w% TOC and using a dry mixture specific heat of 1000 J kg{sup {minus}1} K{sup {minus}1}). Based upon the above results we estimate that a moisture content in excess of 14 w% would prevent a propagating reaction of a stoichiometric mixture of fuel and oxidizer ({approximately} 38 w% sodium acetate and {approximately}62 w% sodium nitrate). Assuming that the fuel can be treated as sodium acetate equivalent, and considering that the moisture content in the organic containing waste generally is believed to be in excess of 14 w%, it follows that the possibility of propagating reactions in the Hanford waste tanks can be ruled out.

  7. The bryostatin 1 A-ring acetate is not the critical determinant for antagonism of phorbol ester-induced biological responses.

    Keck, Gary E; Li, Wei; Kraft, Matthew B; Kedei, Noemi; Lewin, Nancy E; Blumberg, Peter M


    The contribution of the A-ring C(7) acetate to the function of bryostatin 1 has been investigated through synthesis and biological evaluation of an analogue incorporating this feature into the bryopyran core structure. No enhanced binding affinity for protein kinase C (PKC) was observed, relative to previously characterized analogues lacking the C(7) acetate. Functional assays showed biological responses characteristic of those induced by the phorbol ester PMA and distinctly different from those observed with bryostatin 1.

  8. DFT-Based Explanation of the Effect of Simple Anionic Ligands on the Regioselectivity of the Heck Arylation of Acrolein Acetals

    Henriksen, Signe Teuber; Tanner, David Ackland; Cacchi, Sandro


    The Heck arylation of acrolein acetal has been studied computationally and compared to the corresponding reaction with allyl ethers. The reaction can be controlled to give either cinnamaldehydes or arylpropanoic esters by addition of different coordinating anions, acetate, or chloride. The comput...... reaction conditions. The difference between the two substrate classes could be rationalized in terms of relative hydride donating power of the two substrates....

  9. Stereochemistry of Fuscumol and Fuscumol Acetate Influences Attraction of Longhorned Beetles (Coleoptera: Cerambycidae) of the Subfamily Lamiinae.

    Hughes, G P; Meier, L R; Zou, Y; Millar, J G; Hanks, L M; Ginzel, M D


    The chemical structures of aggregation-sex pheromones of longhorned beetles (Coleoptera: Cerambycidae) are often conserved among closely related taxa. In the subfamily Lamiinae, adult males and females of several species are attracted by racemic blends of (E)-6,10-dimethyl-5,9-undecadien-2-ol (termed fuscumol) and the structurally related (E)-6,10-dimethyl-5,9-undecadien-2-yl acetate (fuscumol acetate). Both compounds have a chiral center, so each can exist in two enantiomeric forms. Males of many species of longhorned beetles only produce one stereoisomer of each pheromone component, and attraction may be reduced by the presence of stereoisomers that are not produced by a particular species. In a previous publication, analysis of headspace volatiles of adult beetles of the lamiine species Astyleiopus variegatus (Haldeman) revealed that males sex-specifically produced (S)-fuscumol and (S)-fuscumol acetate. Here, we describe field trials which tested attraction of this species to single enantiomers of fuscumol and fuscumol acetate, or to blends of enantiomers. We confirmed attraction of A. variegatus to its species-specific blend, but during the course of the trials, found that several other species also were attracted. These included Aegomorphus modestus (Gyllenhall), attracted to (S)-fuscumol acetate; Astylidius parvus (LeConte), attracted to (R)-fuscumol; Astylopsis macula (Say), attracted to (S)-fuscumol; and Graphisurus fasciatus (DeGeer), attracted to a blend of (R)-fuscumol and (R)-fuscumol acetate. These results suggest that chirality may be important in the pheromone chemistry of lamiines, and that specific stereoisomers or mixtures of stereoisomers are likely produced by each species.

  10. Study of Effect of Variation of Ionic Strength of the Medium on Velocity Constant of Ru(Iii Catalyzed Oxidation of Hydroxy Benzoic Acids by Chloramine-T in Acidic Medium

    Dr. Parmod Kumar


    Full Text Available In the present study the effect of variation of ionic strength of the medium on rate of oxidation of hydroxy benzoic acids as its effect provides some clues regarding the nature of reactive species involved in the rate determining step. In order to realize the above aim the experiments has been carried out which ultimately concluded that ionic strength variation does not change the reaction velocity constant significantly.

  11. Characterization of differently sized granule fractions of yellow pea, cowpea and chickpea starches after modification with acetic anhydride and vinyl acetate

    Huang, J.; Schols, H.A.; Jin, Z.; Sulmann, E.; Voragen, A.G.J.


    The effect of reagent type on the properties of acetylated starches was studied for yellow pea, cowpea and chickpea starches after modification with acetic anhydride and vinyl acetate. Samples modified with vinyl acetate showed higher swelling volume and peak viscosity than those acetylated with

  12. Characterization of differently sized granule fractions of yellow pea, cowpea and chickpea starches after modification with acetic anhydride and vinyl acetate

    Huang, J.; Schols, H.A.; Jin, Z.; Sulmann, E.; Voragen, A.G.J.


    The effect of reagent type on the properties of acetylated starches was studied for yellow pea, cowpea and chickpea starches after modification with acetic anhydride and vinyl acetate. Samples modified with vinyl acetate showed higher swelling volume and peak viscosity than those acetylated with ace

  13. Biodegradable polymers by reactive blending trans-esterification of thermoplastic starch with poly (vinyl acetate) and poly (vinyl acetate-co-butyl acrylate)

    Vargha, V


    Full Text Available Wheat starch was reacted with poly (vinyl acetate) and with poly (vinyl acetate-co-butyl acrylate) in an internal mixer at 150 _C in the absence of catalyst, and in the presence of sodium carbonate, zinc-acetate and titanium (IV) but oxide...

  14. Fluorometholone acetate. A new ophthalmic derivative of fluorometholone.

    Kupferman, A; Berrospi, A R; Leibowitz, H M


    Hourly topical administration of 0.1% fluorometholone acetate ophthalmic suspension produced, on the average, a 47% reduction in the polymorphonuclear leukocytes invading the cornea during an experimentally induced inflammatory keratitis. This is a significantly greater anti-inflammatory effect than we have previously reported for the alcohol derivative of fluorometholone and is not significantly different from the therapeutic effect of 1.0% prednisolone acetate ophthalmic suspension, the most effective corneal anti-inflammatory agent that we have studied to date. Fluorometholone acetate (0.1%) formulated as a high-viscosity carbomer gel and applied at three-hour intervals reduced invading leukocytes in the cornea an average of 48%, an effect not significantly different from hourly administration of the suspension.

  15. Crystal structure of febuxostat–acetic acid (1/1

    Min Wu


    Full Text Available The asymmetric unit of the title compound [systematic name: 2-(3-cyano-4-isobutyloxyphenyl-4-methylthiazole-5-carboxylic acid–acetic acid (1/1], C16H16N2O3S·CH3COOH, contains a febuxostat molecule and an acetic acid molecule. In the febuxostat molecule, the thiazole ring is nearly coplanar with the benzene ring [dihedral angle = 3.24 (2°]. In the crystal, the febuxostat and acetic acid molecules are linked by O—H...O, O—H...N hydrogen bonds and weak C—H...O hydrogen bonds, forming supramolecular chains propagating along the b-axis direction. π–π stacking is observed between nearly parallel thiazole and benzene rings of adjacent molecules; the centroid-to-centroid distances are 3.8064 (17 and 3.9296 (17 Å.

  16. Improvement of productivity in acetic acid fermentation with Clostridium thermoaceticum

    Shah, M.M.; Cheryan, M. [Univ. of Illinois, Urbana, IL (United States)


    Production of acetic acid by a mutant strain of Clostridium thermoaceticum was compared in three types of membrane cell-recycle bioreactors. A modified fed-batch bioreactor (where the product is partially removed at the end of fermentation, but the cells are retained), and a two-stage CSTR (with product being removed continuously and the cells being recycled from the second to the first stage) resulted in better performance than a one-stage CSTR or batch fermenter. The difference in performance was greater at higher acetate concentration. With 45 g/L of glucose in the feed, productivity was 0.75-1.12 g/L-h and acetic acid concentrations were 34-38 g/L. This is more than double the batch system. The nutrient supply rate also appeared to have a strong influence on productivity of the microorganism.

  17. Kinetics of wet oxidation of formic acid and acetic acid

    Shende, R.V.; Mahajani, V.V. [Univ. of Mumbai (India). Dept. of Chemical Technology


    Oxidation of lower molecular weight carboxylic acids such as formic, acetic, glyoxalic, and oxalic acids is often the rate-controlling step during wet oxidation (WO) of an aqueous waste stream exhibiting very high chemical oxygen demand (COD). The kinetics of WO of formic acid was studied in the absence and presence of a cupric sulfate as catalyst in the temperature range 150--240 C and oxygen partial pressure range 0.345--1.380 MPa. Wet oxidation of acetic acid was carried out in the presence of cupric sulfate in the temperature range 215--235 C. Homogeneous copper sulfate was found to be a very good catalyst for oxidation of formic acid and acetic acid.

  18. Interaction of roxatidine acetate with antacids, food and other drugs.

    Labs, R A


    The inhibition of hepatic mixed-function oxidase microsomal enzymes by cimetidine can lead to clinically important drug interactions. The metabolism of antipyrine is used as an index of hepatic enzymatic activity. The pharmacokinetic profiles of salivary antipyrine obtained following treatment with roxatidine acetate 75 mg or placebo twice a day for 7 days showed similar characteristics with no difference in the areas under the plasma concentration-time curves. In addition, roxatidine acetate 75 mg daily did not modify the clearance of propranolol, diazepam, desmethyldiazepam or controlled release theophylline preparations. Furthermore, there was no interference in the bioavailability of roxatidine acetate 150 mg daily when administered alone or in combination with a meal or antacids.

  19. A biochemical explanation of phenyl acetate neurotoxicity in experimental phenylketonuria.

    Loo, Y H; Potempska, A; Wisniewski, H M


    The in vivo formation of [1-14C]acetyl-coenzyme A from D-[3-14C]3-hydroxybutyrate in the brain of the suckling rat was not affected by postnatal exposure to phenyl acetate. However, utilization of the generated acetyl-coenzyme A was significantly inhibited in certain metabolic reactions, namely synthesis of fatty acids and of sterols, but not in others as the Krebs cycle reactions that lead to the production of dicarboxylic amino acids. The incorporation of D-[U-14C]glucosamine into N-acetylneuraminic acid bound to glycoproteins was appreciably diminished in the rat pup previously exposed to maternal phenylketonuria induced by phenyl acetate. During the period of very rapid development of the brain, interference by phenyl acetate and/or its metabolites with certain critical biosynthetic pathways that require acetyl-coenzyme A would significantly contribute to retarded maturation of the brain that occurs in phenylketonuria.

  20. A comparison of acetate and digital templating for hip resurfacing.

    Bracey, Daniel N; Seyler, Thorsten M; Shields, John S; Leng, Xiaoyan; Jinnah, Riyaz H; Lang, Jason E


    This study sought to determine whether templating for metal-on-metal hip resurfacing is more accurate with digital or acetate methodology. The medical records of 102 consecutive patients who underwent hip resurfacing at our institution were retrospectively reviewed. Records lacking preoperative radiographs that included a magnification-establishing marker were excluded, leaving 78 records for study. Two investigators independently prepared acetate and digital templates of the preoperative radiographs, which had been calibrated to 120% magnification, to predict femoral and acetabular component size. Accuracy was measured by comparing the predicted component sizes to the surgically implanted component sizes. Digital templating was more accurate than acetate templating in predicting hip resurfacing component size when measuring accuracy of templates by the absolute error of predicted component sizes (femoral, P hip resurfacing procedures.

  1. Obestatin Accelerates the Healing of Acetic Acid-Induced Colitis in Rats.

    Matuszyk, Aleksandra; Ceranowicz, Piotr; Warzecha, Zygmunt; Cieszkowski, Jakub; Bonior, Joanna; Jaworek, Jolanta; Kuśnierz-Cabala, Beata; Konturek, Peter; Ambroży, Tadeusz; Dembiński, Artur


    Obestatin, a 23-amino acid peptide derived from the proghrelin, has been shown to exhibit some protective and therapeutic effects in the gut. The aim of present study was to determine the effect of obestatin administration on the course of acetic acid-induced colitis in rats. Materials and Methods. Studies have been performed on male Wistar rats. Colitis was induced by a rectal enema with 3.5% acetic acid solution. Obestatin was administered intraperitoneally twice a day at a dose of 8 nmol/kg, starting 24 h after the induction of colitis. Seven or 14 days after the induction of colitis, the healing rate of the colon was evaluated. Results. Treatment with obestatin after induction of colitis accelerated the healing of colonic wall damage and this effect was associated with a decrease in the colitis-evoked increase in mucosal activity of myeloperoxidase and content of interleukin-1β. Moreover, obestatin administration significantly reversed the colitis-evoked decrease in mucosal blood flow and DNA synthesis. Conclusion. Administration of exogenous obestatin exhibits therapeutic effects in the course of acetic acid-induced colitis and this effect is related, at least in part, to the obestatin-evoked anti-inflammatory effect, an improvement of local blood flow, and an increase in cell proliferation in colonic mucosa.

  2. The Inhibitory Effect of Alisol A 24-Acetate from Alisma canaliculatum on Osteoclastogenesis

    Kwang-Jin Kim


    Full Text Available Osteoporosis is a disease that decreases bone mass. The number of patients with osteoporosis has been increasing, including an increase in patients with bone fractures, which lead to higher medical costs. Osteoporosis treatment is all-important in preventing bone loss. One strategy for osteoporosis treatment is to inhibit osteoclastogenesis. Osteoclasts are bone-resorbing multinucleated cells, and overactive osteoclasts and/or their increased number are observed in bone disorders including osteoporosis and rheumatoid arthritis. Bioactivity-guided fractionations led to the isolation of alisol A 24-acetate from the dried tuber of Alisma canaliculatum. Alisol A 24-acetate inhibited RANKL-mediated osteoclast differentiation by downregulating NFATc1, which plays an essential role in osteoclast differentiation. Furthermore, it inhibited the expression of DC-STAMP and cathepsin K, which are related to cell-cell fusion of osteoclasts and bone resorption, respectively. Therefore, alisol A 24-acetate could be developed as a new structural scaffold for inhibitors of osteoclast differentiation in order to develop new drugs against osteoporosis.

  3. 原料乳中苯甲酸质量分数控制措施的研究进展%Research advance in the control measures of the content of benzoic acid in raw milk

    李晰晖; 任国谱


    对苯甲酸对人体的危害、在原料乳中的主要来源以及原料乳的卫生质量、马尿酸的质量分数和人为添加等因素对原料乳中苯甲酸质量分数的影响进行了综述,对提高原料乳的卫生质量、安全无毒的防腐措施和快速高效的检测手段等控制原料乳中苯甲酸质量分数的方法进行了讨论..%The research advance in the harm of benzoic acid to the body ,the source of it in raw milk and in factors influencing the content of benzoic acid such as hygienic quality of raw milk.the content of hippuric acid,anthropic addition were summarized in the paper.In addition,this paper discussed the methods how to cntrol the content of benzoic acid in raw milk including improving the hygienic quality of raw milk,se-cure and nontoxic antiseptic measures, fast and effective detecting methods.

  4. Thermoacoustical and Excess Properties of Binary Mixtures of Ethyl Butyrate with Methanol and Vinyl Acetate

    Jagdish Prasad Shukla


    Full Text Available This paper aims to portray the nature of interaction present in the mixture of ethyl butyrate with methanol and vinyl acetate by computing various thermodynamic parameters at 298.15 K. Excess thermodynamic properties correlated with Redlich–Kister polynomial equation reveals the extent of interaction present in the mixture. Acoustical relations giving the molecular radii of liquid mixtures suggest the change in structure with composition quite well. A comparative study of various empirical and semi-empirical relations such as Flory’s Statistical Theory, Goldsack and Sarvas, Sanchez theory etc. for predicting ultrasonic velocity of the mixtures with the experimental values have been done.

  5. The stability of the acetic acid dimer in microhydrated environments and in aqueous solution.

    Pašalić, Hasan; Tunega, Daniel; Aquino, Adélia J A; Haberhauer, Georg; Gerzabek, Martin H; Lischka, Hans


    The thermodynamic stability of the acetic acid dimer conformers in microhydrated environments and in aqueous solution was studied by means of molecular dynamics simulations using the density functional based tight binding (DFTB) method. To confirm the reliability of this method for the system studied, density functional theory (DFT) and second order Møller-Plesset perturbation theory (MP2) calculations were performed for comparison. Classical optimized potentials for liquid simulations (OPLS) force field dynamics was used as well. One focus of this work was laid on the study of the capabilities of water molecules to break the hydrogen bonds of the acetic acid dimer. The barrier for insertion of one water molecule into the most stable cyclic dimer is found to lie between 3.25 and 4.8 kcal mol(-1) for the quantum mechanical methods, but only at 1.2 kcal mol(-1) for OPLS. Starting from different acetic acid dimer structures optimized in gas phase, DFTB dynamics simulations give a different picture of the stability in the microhydrated environment (4 to 12 water molecules) as compared to aqueous solution. In the former case all conformers are converted to the hydrated cyclic dimer, which remains stable over the entire simulation time of 1 ns. These results demonstrate that the considered microhydrated environment is not sufficient to dissociate the acetic acid dimer. In aqueous solution, however, the DFTB dynamics shows dissociation of all dimer structures (or processes leading thereto) starting after about 50 ps, demonstrating the capability of the water environment to break up the relatively strong hydrogen bridges. The OPLS dynamics in the aqueous environment shows--in contrast to the DFTB results--immediate dissociation, but a similar long-term behavior.

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

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


    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.

  7. Removal of dicyclohexyl acetic acid from aqueous solution using ultrasound, ozone and their combination.

    Kumar, Pardeep; Headley, John; Peru, Kerry; Bailey, Jon; Dalai, Ajay


    Naphthenic acids are a complex mixture of organic components, some of which include saturated alkyl-substituted cycloaliphatic carboxylic acids and acyclic aliphatic acids. They are naturally found in hydrocarbon deposits like oil sand, petroleum, bitumen and crude oil. In this study, the oxidation of a relatively high molecular weight naphthenic acid (Dicyclohexyl acetic acid) was investigated using ozonation, ultrasonication and hydrogen peroxide alone and their combinations. Effects on oxidation of dicyclohexyl acetic acid (DAA) were measured for different concentrations of ozone ranging between 0.7 to 3.3 mg L(-1) and pH in the range 6 to 10. Ultrasonication and hydrogen peroxide alone were not effective to oxidize dicyclohexyl acetic acid, but combining ultrasonication with H2O2 had a significant effect on oxidation of dicyclohexyl acetic acid with maximum removal reaching to 84 ± 2.2% with 81 ± 2.1% reduction in chemical oxygen demand (COD). Synergistic effects were observed for combining ultrasonication with ozonation and resulted in 100% DAA removal with 98 ± 0.8% reduction in COD within 15 min at 3.3 mg L(-1) ozone concentration and 130 Watts ultrasonication power. The reaction conditions obtained for the maximum oxidation of DAA and COD removal were used for the degradation of naphthenic acids mixture extracted from oil sands process water (OSPW). The percentage oxidation of NAs mixture extracted from OSPW was 89.3 ± 1.1% in ozonation and combined ozonation and ultrasonication, but COD removal observed was 65 ± 1.2% and 78 ± 1.4% for ozonation and combined ozonation and ultrasonication treatments, respectively.

  8. Isolation of acetate auxotrophs of the methane-producing archaeon Methanococcus maripaludis by random insertional mutagenesis.

    Kim, W; Whitman, W B


    To learn more about autotrophic growth of methanococci, we isolated nine conditional mutants of Methanococcus maripaludis after transformation of the wild type with a random library in pMEB.2, a suicide plasmid bearing the puromycin-resistance cassette pac. These mutants grew poorly in mineral medium and required acetate or complex organic supplements such as yeast extract for normal growth. One mutant, JJ104, was a leaky acetate auxotroph. A plasmid, pWDK104, was recovered from this mutant by electroporation of a plasmid preparation into Escherichia coli. Transformation of wild-type M. maripaludis with pWDK104 produced JJ104-1, a mutant with the same phenotype as JJ104, thus establishing that insertion of pWDK104 into the genome was responsible for the phenotype. pWDK104 contained portions of the methanococcal genes encoding an ABC transporter closely related to MJ1367-MJ1368 of M. jannaschii. Because high levels of molybdate, tungstate, and selenite restored growth to wild-type levels, this transporter may be specific for these oxyanions. A second acetate auxotroph, JJ117, had an absolute growth requirement for either acetate or cobalamin, and wild-type growth was observed only in the presence of both. Cobinamide, 5', 6'-dimethylbenzimidazole, and 2-aminopropanol did not replace cobalamin. This phenotype was correlated with tandem insertions in the genome but not single insertions and appeared to have resulted from an indirect effect on cobamide metabolism. Plasmids rescued from other mutants contained portions of ORFs denoted in M. jannaschii as endoglucanase (MJ0555), transketolase (MJ0681), thiamine biosynthetic protein thiI (MJ0931), and several hypothetical proteins (MJ1031, MJ0835, and MJ0835.1). PMID:10430573

  9. Laboratory-scale bioaugmentation relieves acetate accumulation and stimulates methane production in stalled anaerobic digesters.

    Town, Jennifer R; Dumonceaux, Tim J


    An imbalance between acidogenic and methanogenic organisms during anaerobic digestion can result in increased accumulation of volatile fatty acids, decreased reactor pH, and inhibition of methane-producing Archaea. Most commonly the result of organic input overload or poor inoculum selection, these microbiological and biochemical changes severely hamper reactor performance, and there are a few tools available to facilitate reactor recovery. A small, stable consortium capable of catabolizing acetate and producing methane was propagated in vitro and evaluated as a potential bioaugmentation tool for stimulating methanogenesis in acidified reactors. Replicate laboratory-scale batch digesters were seeded with a combination of bioethanol stillage waste and a dairy manure inoculum previously observed to result in high volatile fatty acid accumulation and reactor failure. Experimental reactors were then amended with the acetoclastic consortium, and control reactors were amended with sterile culture media. Within 7 days, bioaugmented reactors had significantly reduced acetate accumulation and the proportion of methane in the biogas increased from 0.2 ± 0 to 74.4 ± 9.9 % while control reactors showed no significant reduction in acetate accumulation or increase in methane production. Organisms from the consortium were enumerated using specific quantitative PCR assays to evaluate their growth in the experimental reactors. While the abundance of hydrogenotrophic microorganisms remained stable during the recovery period, an acetoclastic methanogen phylogenetically similar to Methanosarcina sp. increased more than 100-fold and is hypothesized to be the primary contributor to reactor recovery. Genomic sequencing of this organism revealed genes related to the production of methane from acetate, hydrogen, and methanol.

  10. Rotational study of the bimolecule acetic acid-fluoroacetic acid

    Feng, Gang; Gou, Qian; Evangelisti, Luca; Caminati, Walther


    The rotational spectrum of the acetic acid-fluoroacetic acid bimolecule was measured by using a pulsed jet Fourier transform microwave spectrometer. One conformer, in which fluoroacetic acid is in trans form, has been observed. The rotational transitions are split into two component lines, due to the internal rotation of the methyl group of acetic acid. From these splittings, the corresponding V3 barrier has been determined. The dissociation energy of this complex has been estimated to 66 kJ/mol. An increase of the distance between the two monomers upon the OH → OD substitution (Ubbelohde effect) has been observed.

  11. Acetylation of cellulose nanowhiskers with vinyl acetate under moderate conditions.

    Cetin, Nihat Sami; Tingaut, Philippe; Ozmen, Nilgül; Henry, Nathan; Harper, David; Dadmun, Mark; Sèbe, Gilles


    A novel and straightforward method for the surface acetylation of cellulose nanowhiskers by transesterification of vinyl acetate is proposed. The reaction of vinyl acetate with the hydroxyl groups of cellulose nanowhiskers obtained from cotton linters was examined with potassium carbonate as catalyst. Results indicate that during the first stage of the reaction, only the surface of the nanowhiskers was modified, while their dimensions and crystallinity remained unchanged. With increasing reaction time, diffusion mechanisms controlled the rate, leading to nanowhiskers with higher levels of acetylation, smaller dimensions, and lower crystallinity. In THF, a solvent of low polarity, the suspensions from modified nanowhiskers showed improved stability with increased acetylation.

  12. Solubility parameter of poly(vinyl acetate)

    Wohlfarth, Ch.

    This document is part of Subvolume D2 'Polymer Solutions - Physical Properties and their Relations I (Thermodynamic Properties: PVT -Data and miscellaneous Properties of polymer Solutions) of Volume 6 `Polymers' of Landolt-Börnstein - Group VIII `Advanced Materials and Technologies'.

  13. Use of prednisone with abiraterone acetate in metastatic castration-resistant prostate cancer.

    Auchus, Richard J; Yu, Margaret K; Nguyen, Suzanne; Mundle, Suneel D


    Abiraterone acetate, a prodrug of the CYP17A1 inhibitor abiraterone that blocks androgen biosynthesis, is approved for treatment of patients with metastatic castration-resistant prostate cancer (mCRPC) in combination with prednisone or prednisolone 5 mg twice daily. This review evaluates the basis for the effects of prednisone on mineralocorticoid-related adverse events that arise because of CYP17A1 inhibition with abiraterone. Coadministration with the recommended dose of glucocorticoid compensates for abiraterone-induced reductions in serum cortisol and blocks the compensatory increase in adrenocorticotropic hormone seen with abiraterone. Consequently, 5 mg prednisone twice daily serves as a glucocorticoid replacement therapy when coadministered with abiraterone acetate, analogous to use of glucocorticoid replacement therapy for certain endocrine disorders. We searched PubMed to identify safety concerns regarding glucocorticoid use, placing a focus on longitudinal studies in autoimmune and inflammatory diseases and cancer. In general, glucocorticoid-related adverse events, including bone loss, immunosuppression, hyperglycemia, mood and cognitive alterations, and myopathy, appear dose related and tend to occur at doses and/or treatment durations greater than the low dose of glucocorticoid approved in combination with abiraterone acetate for the treatment of mCRPC. Although glucocorticoids are often used to manage tumor-related symptoms or to prevent treatment-related toxicity, available evidence suggests that prednisone and dexamethasone might also offer modest therapeutic benefit in mCRPC. Given recent improvements in survival achieved for mCRPC with novel agents in combination with prednisone, the risks of these recommended glucocorticoid doses must be balanced with the benefits shown for these regimens.

  14. Endometrial Histology of Depomedroxyprogesterone Acetate Users: A Pilot Study


    Full Text Available Objective. To obtain pilot data on the endometrial histology of Depomedroxyprogesterone acetate (Depo-Provera, DMPA users experiencing breakthrough bleeding (BTB versus users with amenorrhea. To compare the endometrial histology of patients who used DMPA continuously for 3–12 months versus those who used it for 13 months or more. Methods. Cross-sectional study. Endometrial biopsy was obtained from all consenting patients who used DMPA for at least 3 months. Patients were divided into those with BTB in the last 3 months versus those with amenorrhea for at least 3 months. Histology results and duration of therapy were compared. Results. The proportion of women with chronic endometritis, uterine polyps, atrophic, proliferative, or progesterone-dominant endometrium did not differ between those DMPA users with BTB versus those with amenorrhea. Duration of therapy did not correlate with symptoms of BTB or endometrial histology. Chronic endometritis was the most common histologic finding (10/40, 25% and occurred more often in women experiencing BTB (35% versus 15% (RR 1.62 CI 0.91–2.87. Moreover, 45% of women with BTB had received DMPA for more than 12 months. Conclusions. BTB was more common than previously reported in women using DMPA for more than 12 months. Chronic endometritis, which may indicate an underlying infectious or intracavitary anatomic etiology, has not been previously reported as a frequent finding in DMPA users, and may be related to ethnic or other sociodemographic characteristics of our patient population. Further study to elucidate the etiology of chronic endometritis in these patients is warranted.

  15. On the microstructures of ethyl acetate/monoolein/water.

    Imberg, Anna


    A phase diagram, describing the behavior of the polar lipid monoolein (MO), water, and ethyl acetate (EtAc), is here presented as well as results from small angle X-ray scattering. MO is found to have a solubility of 60wt.% in EtAc at 20 degrees C. No macroscopic aggregation of MO can, initially, be detected in the binary MO/EtAc solution even though MO forms solid crystals in concentrated samples when times goes by. In case of the ternary system small amounts of water, mainly bound to the lipid head groups, can be incorporated in the liquid EtAc/MO phase as water has a limited solubility in EtAc. For EtAc/water mass ratios below 2/3 EtAc is present into the reversed bicontinuous cubic and lamellar phases present in the binary MO/water system. To conclude, EtAc is mainly partitioned to the lipid membranes, with minor effects on spontaneous curvature. Hence, simple EtAc-addition has an effect similar to dehydration. For EtAc/water ratios above 2/3 the liquid crystalline phases dissolve. The phase behavior is here discussed in view of related phase behaviors for water-miscible solvent/MO/water systems. For instance, an interpretation of the swelling behavior of the sponge phase (L(3)), present in the water-miscible solvent(s)/MO/water systems, shows that solvents partitioned to the polar domains strongly increases the spontaneous curvature of the MO-films. The reason is probably weaker hydrophobic interactions in interfacial regions. As expected, in case of water-miscible solvents, the ternary phase behaviors can be understood by consider water and water-miscible solvent as one "mixed solvent".

  16. Aktivitas Penyembuhan Luka oleh Gel Fraksi Etil Asetat Rimpang Kunyit pada Mencit Hiperglikemik (WOUND HEALING ACTIVITY OF AETHYL ACETATE OF CURCUMA LONGA GEL IN HYPERGLYCEMIC MICE

    Ietje Wientarsih


    Full Text Available Traditional remedies generally use plant based therapies for treatments. The availability of plantfor treatments is relatively abundant in Indonesia, whether as treatments for diabetic wounds or antiinflammation. Curcuma longa Linn has been reported as an alternative treatment for several diseasesincluding wound healing. The aim of this study was to investigate the possible effect on wound healing ofethyl acetate of C.longa gel in skin hyperglycemic mice. The ethyl acetate of C.longa gel was evaluated toassess its healing efficiency on excision wound. Thirty mice were used in this study. The mice were dividedinto three groups i.e.: KN as a negative control (without treatment, KP as a positive control (Neomycinsulfate, and treated groups (GE= ethyl acetate gel. There was a significant effect on histopathologicalcharacteristics in wound healing of treated mice with ethyl acetate gel compared with KN mice. It seemthat C.longa gel is a potential for phyto-therapeutic agent in management of wound healing.

  17. Fate and residues of trenbolone acetate in edible tissues from sheep amd calves implanted with tritium-labeled trenbolone acetate

    Evrard, P.; Maghuin-Rogister, G.; Rico, A.G. (Univ. of Liege (Belgium))


    In order to study the fate and residues of trenbolone acetate in edible tissues, two groups of six animals from two ruminant species (ewes and calves) were implanted with (3H)trenbolone acetate. The distribution of extractable radioactive residues was measured in liver, kidney and muscle. We found that the largest proportion of residues was not extractable and thus was considered as covalently bound residues. The proportion of the main extractable metabolites (17 alpha-trenbolone, trendione, 17 beta-trenbolone) was measured. The evaluation of the distribution of trenbolone acetate metabolites directly soluble in water showed that unknown metabolite(s) were predominant. The covalent binding to nucleic acids was measured. It was so low that it was not detectable. The results are discussed in light of the data presented in the scientific report on anabolic agents in animal production from the European scientific working group.


    K. Lakshmi Narayana


    Full Text Available Microcrystalline cellulose acetate (MCC was incorporated in poly (ethylene-co-vinyl acetate (EVA at different loading. The morphology, swelling properties and drug release profile were studied with respect to MCC loading to study its potential application as ocular inserts. The XRD patterns showed a good compatibility between the components. However swelling ratio and in-vitro degradation of EVA increase with MCC loading. This has been explained in terms of the hygroscopic nature of cellulose acetate. The study shows that EVA/MCC system can be tuned in terms of important parameters such as swelling behavior, in vitro release and degradation by varying blend composition, thus fulfilling specific biomedical requirements.

  19. The use of roxatidine acetate in fasting patients prior to induction of anaesthesia as prophylaxis against the acid aspiration syndrome.

    Tryba, M; Wruck, G; Thole, H; Zenz, M


    Aspiration pneumonitis is one of the major causes of anaesthesia related deaths. H2-receptor antagonists are effective drugs for the prevention of the acid aspiration syndrome (Mendelson's syndrome). The new long-acting H2-receptor antagonist roxatidine acetate may be the first H2-receptor antagonist which could effectively reduce acid secretion following a single bedtime premedication on the evening before an operation. A prospective controlled randomised double-blind study was conducted in 60 elective patients undergoing gynaecological operations requiring tracheal intubation. 30 patients received oral roxatidine acetate 150 mg at 10 pm, the other 30 patients received placebo. Immediately after intubation, at 15 minutes and at the end of the operation gastric pH and the volume of the aspirate were measured. In the placebo group, 13 patients (43%) had gastric pH values below the critical value of 2.5, while in the roxatidine acetate group gastric pH values were raised above 2.5 in all but 3 patients (10%) [p less than 0.05]. In the roxatidine acetate group pH values were significantly higher than in the placebo group (p less than 0.01). The mean gastric volume in the placebo group was 23.3 +/- 27.1 ml, compared to 14.5 +/- 9.4 ml for roxatidine acetate. The 5 highest gastric volumes were observed in the placebo group (max 146 ml). A single bedtime oral premedication with roxatidine acetate 150 mg ensures a gastric pH above 2.5 until 11 am the following day.

  20. Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pent-yloxy)benzoic acid-(E)-1,2-bis-(pyridin-4-yl)ethene (2/1) and 4-(n-hex-yloxy)benzoic acid-(E)-1,2-bis-(pyridin-4-yl)ethene (2/1).

    Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki


    The crystal structures of title hydrogen-bonded co-crystals, 2C12H16O3·C12H10N2, (I), and 2C13H18O3·C12H10N2, (II), have been determined at 93 K. In (I), the asymmetric unit consists of one 4-(n-pent-yloxy)benzoic acid mol-ecule and one half-mol-ecule of (E)-1,2-bis-(pyridin-4-yl)ethene, which lies about an inversion centre. The asymmetric unit of (II) comprises two crystallographically independent 4-(n-hex-yloxy)benzoic acid mol-ecules and one 1,2-bis-(pyridin-4-yl)ethene mol-ecule. In each crystal, the acid and base components are linked by O-H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit of the acid and the base. The 2:1 units are linked via C-H⋯π and π-π inter-actions [centroid-centroid distances of 3.661 (2) and 3.909 (2) Å for (I), and 3.546 (2)-3.725 (4) Å for (II)], forming column structures. In (II), the base mol-ecule is orientationally disordered over two sets of sites approximately around the N⋯N mol-ecular axis, with an occupancy ratio of 0.647 (4):0.353 (4), and the average structure of the 2:1 unit adopts nearly pseudo-C2 symmetry. Both compounds show liquid-crystal behaviour.