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Sample records for benzoic acid

  1. Electrolytic Synthesis of Benzoic Anhydride from Benzoic Acid

    OpenAIRE

    TAKAHASHI, Takeshige; KAMADA, Mitsushi; タカハシ, タケシゲ; カマダ, ミツシ; 高橋, 武重; 鎌田, 三司

    1982-01-01

    Electrolysis of benzoic acid was investigated by means of controlled current operation in acetonitrile with platinum disk electrodes. Benzoic anhydride was obtained from an anolyte at 20-30% of current efficiency as one electron reaction. At the same time, acetamide and hydrogen perchlorate were obtained from the anolyte, and triethylamine was obtained from the catholyte. The yield of acetamide was nearly equal to benzoic anhydride. On the other hand, the yield of triethylamine ap...

  2. Capillary Electrophoresis of Substituted Benzoic Acids

    Science.gov (United States)

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

    2005-01-01

    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.

  3. Acetylcholinesterase inhibitory properties of some benzoic acid derivatives

    Science.gov (United States)

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

    2016-04-01

    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.

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

    Institute of Scientific and Technical Information of China (English)

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

    2008-01-01

    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.

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

    Science.gov (United States)

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

    2009-03-01

    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. PMID:19361822

  6. Studies of 3-amino-4-hydroxyl benzoic acid phosphate

    International Nuclear Information System (INIS)

    3-amino-4-hydroxyl benzoic acid phosphate was synthesized from 4-chloro benzoic acid through three steps, the whole process was cost-effective in which the materials in each step were reused. More importantly, phosphoric acid medium did no harm to Pd-C catalyst in the hydrogenation and the Pd-C catalyst could be recycled for ten times at least without decrease in catalytic activity. In addition, product could meet the requirement of polymerization reaction of producing poly(2,5-benzoxazole) without dehydrochlorogenation. In this process, good conversion, high overall yield (79.28%) and high purity (99.30% by HPLC) were achieved. (author)

  7. Absorption and metabolism of benzoic acid in growing pigs

    DEFF Research Database (Denmark)

    Kristensen, N B; Nørgaard, J V; Wamberg, S; Engbæk, M; Fernández, J A; Zacho, H D; Poulsen, H D

    2009-01-01

    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...

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

    OpenAIRE

    Kavita Yadav; Singh, N.B.

    2013-01-01

    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 ob...

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

    Science.gov (United States)

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

    2016-03-01

    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. PMID:26886302

  10. Estimated intake of benzoic and sorbic acids in Denmark

    DEFF Research Database (Denmark)

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

    2010-01-01

    The monitoring of food additives and recent dietary surveys carried out in Denmark have earlier been used to estimate the intake of sweeteners and nitrite in relation to acceptable daily intakes. The ubiquitous use of the preservatives benzoic and sorbic acids raises the question of the magnitude...

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

    Energy Technology Data Exchange (ETDEWEB)

    Arceo, Elena; Ellman, Jonathan; Bergman, Robert

    2010-05-03

    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.

  12. High-Pressure Effects in Benzoic Acid Dimers: Vibrational Spectroscopy

    Science.gov (United States)

    Tao, Yuchuan; Dreger, Zbigniew; Gupta, Yogendra

    2013-06-01

    To understand pressure effects on dimer structure stability, Raman and FTIR spectroscopy were used to examine changes in hydrogen bonded dimers of benzoic acid crystals up to 31 GPa. Raman measurements indicated a phase transition around 7-8 GPa. It is proposed that this transition is caused by a rearrangement of molecules within the dimer leading to a symmetry change from C2h to likely C2 or Cs. This change was reversible upon pressure release from 15 GPa. Pressures above 15 GPa, induced gradual changes in luminescence and a color change in the crystal from white to brownish. FTIR measurements at 31 GPa revealed the formation of a new broad band centered around 3250 cm-1, which was attributed to the stretching vibrations of the O -H bond. It is proposed that hydrogen bonded dimers of benzoic acid transform partially to a covalently bonded compound composed of benzoic anhydride-like molecules and H2O. This study demonstrates that application of high pressure can lead to significant changes in the H-bonded dimer structure, including formation of chemical bonding. Work supported by DOE/NNSA and ONR/MURI.

  13. Sodium and potassium benzoate and benzoic acid as eluents for ion chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Gjerde, D.T.; Fritz, J.S.

    1981-12-01

    Benzoic acid is introduced as an eluent and is compared with benzoate salt eluents. Detector response to sample ions in single-column ion chromatogrphy is compared with dual-column (suppressed) ion chromatography. Benzoic acid has a higher background conductance; however, samples separated with benzoate salt eluents. Comparable sample peak areas are found with suppressor column treated benzoate eluents and benzoic acid eluents. Equations are described which predict detector response for a variety of conditions.

  14. 21 CFR 184.1021 - Benzoic acid.

    Science.gov (United States)

    2010-04-01

    ... hydrolysis of benzotrichloride, or by the oxidation of toluene with nitric acid or sodium bichromate or with.../code_of_federal_regulations/ibr_locations.html. (c) The ingredient is used as an antimicrobial agent as defined in § 170.3(o)(2) of this chapter, and as a flavoring agent and adjuvant as defined in §...

  15. Gas phase measurements of mono-fluoro-benzoic acids and the dimer of 3-fluoro-benzoic acid

    International Nuclear Information System (INIS)

    The microwave spectrum of the mono-fluoro-benzoic acids, 2-fluoro-, 3-fluoro-, and 4-fluoro-benzoic acid have been measured in the frequency range of 4-14 GHz using a pulsed beam Fourier transform microwave spectrometer. Measured rotational transition lines were assigned and fit using a rigid rotor Hamiltonian. Assignments were made for 3 conformers of 2-fluorobenzoic acid, 2 conformers of 3-fluorobenzoic acid, and 1 conformer of 4-fluorobenzoic acid. Additionally, the gas phase homodimer of 3-fluorobenzoic acid was detected, and the spectra showed evidence of proton tunneling. Experimental rotational constants are A(0+) = 1151.8(5), B(0+) = 100.3(5), C(0+) = 87.64(3) MHz and A(0−) = 1152.2(5), B(0−) = 100.7(5), C(0−) = 88.85(3) MHz for the two ground vibrational states split by the proton tunneling motion. The tunneling splitting (ΔE) is approximately 560 MHz. This homodimer appears to be the largest carboxylic acid dimer observed with F-T microwave spectroscopy

  16. Gas phase measurements of mono-fluoro-benzoic acids and the dimer of 3-fluoro-benzoic acid

    Energy Technology Data Exchange (ETDEWEB)

    Daly, Adam M. [Jet Propulsion Laboratory, California Institute of Technology, Pasedena, California 91106 (United States); Carey, Spencer J.; Pejlovas, Aaron M.; Li, Kexin; Kukolich, Stephen G., E-mail: Kukolich@u.arizona.edu [Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721 (United States); Kang, Lu [Department of Chemistry and Biochemistry, Kennesaw State University, Kennesaw, Georgia 30144 (United States)

    2015-04-14

    The microwave spectrum of the mono-fluoro-benzoic acids, 2-fluoro-, 3-fluoro-, and 4-fluoro-benzoic acid have been measured in the frequency range of 4-14 GHz using a pulsed beam Fourier transform microwave spectrometer. Measured rotational transition lines were assigned and fit using a rigid rotor Hamiltonian. Assignments were made for 3 conformers of 2-fluorobenzoic acid, 2 conformers of 3-fluorobenzoic acid, and 1 conformer of 4-fluorobenzoic acid. Additionally, the gas phase homodimer of 3-fluorobenzoic acid was detected, and the spectra showed evidence of proton tunneling. Experimental rotational constants are A(0{sup +}) = 1151.8(5), B(0{sup +}) = 100.3(5), C(0{sup +}) = 87.64(3) MHz and A(0{sup −}) = 1152.2(5), B(0{sup −}) = 100.7(5), C(0{sup −}) = 88.85(3) MHz for the two ground vibrational states split by the proton tunneling motion. The tunneling splitting (ΔE) is approximately 560 MHz. This homodimer appears to be the largest carboxylic acid dimer observed with F-T microwave spectroscopy.

  17. QSBR study of substituted phenols and benzoic acids

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    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.

  18. Luminescence enhancement of uranyl ion by benzoic acid in acetonitrile

    International Nuclear Information System (INIS)

    Uranyl ion is known for its characteristic green luminescence and therefore luminescence spectroscopy is a suitable technique for characterizing different uranyl species. In aqueous medium, luminescence of uranyl ion is generally weak due to its quenching by water molecules and therefore in order to enhance the luminescence of uranyl ion in aqueous medium, luminescence enhancing reagents such as H3PO4, H2SO4, HCIO4 have been widely used. The other method to enhance the uranyl luminescence is by ligand sensitized luminescence, a method well established for lanthanides. In this work, luminescence of uranyl ion is found to be enhanced by benzoic acid in acetonitrile medium. In aqueous medium benzoic acid does not enhance the uranyl luminescence although it forms 1:1 and 1:2 complexes with uranyl ion. Luminescence spectra of uranyl benzoate revealed that enhancement is due to sensitization of uranyl luminescence by benzoate ions. UV-Vis spectroscopy has been utilized to characterize the specie formed in the in acetonitrile medium. UV-Vis spectroscopy along with luminescence spectra revealed that the specie to be tribenzoate complex of uranyl (UO2 (C6H5COO)3)- having D3h symmetry. (author)

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

    Directory of Open Access Journals (Sweden)

    Kavita Yadav

    2013-06-01

    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.

  20. Dielectric Relaxation Studies of Alkylacrylates with Ortho-Substituted Benzoic acids in 1, 4 - Dioxane

    Directory of Open Access Journals (Sweden)

    F. Liakath Ali Khan*,1

    2014-07-01

    Full Text Available Dielectric absorption studies of Hydrogen bonded complexes of alkyl acrylates with ortho substituted benzoic acid (2 - Fluro benzoic acid, 2 - Iodo benzoic acid, 2 - Chloro benzoic acid, 2 - Bromo benzoic acid, and 2 - Nitro benzoic acid were studied at microwave frequency 9.43GHz in dilute solution of 1,4 - Dioxane at room temperature. Different dielectric parameters like dielectric constant ( and dielectric loss ( at microwave frequency, and static dielectric constant (0 and dielectric constant ( at optical frequency were determined. The validity of the single frequency equation proposed by Higasi et.al., for multiple relaxation time (1 was found to be a function of the hydrogen bonding strength in benzoic acid, whereas the group rotation relaxation time (2 was a function of the steric interaction of proton donor. The relaxation time was maximum at 1:1 molar ratios of alky acrylates with ortho substituted benzoic acid.

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

    Directory of Open Access Journals (Sweden)

    Fatimah Abu Bakar

    2011-07-01

    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.

  2. 40 CFR 721.1705 - Benzoic acid, 3-amino-, diazotized, coupled with 6-amino-4-hydroxy-2-naphthalenesulfonic acid...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Benzoic acid, 3-amino-, diazotized, coupled with 6-amino-4-hydroxy-2-naphthalenesulfonic acid, diazotized, (3-aminophenyl)phosphonic acid and... Significant New Uses for Specific Chemical Substances § 721.1705 Benzoic acid, 3-amino-, diazotized,...

  3. Solid-State 17O NMR Study of Benzoic Acid Adsorption On Metal Oxide Surfaces

    International Nuclear Information System (INIS)

    Solid-state 17O NMR spectra of 17O-labeled benzoic and anisic acids are reported and benzoic acid is used to probe the surface of metal oxides. Complexes formed when benzoic acid is dry-mixed with mesoporous silica, and nonporous titania and alumina are characterized. Chemical reactions with silica are not observed. The nature of benzoic acid on silica is a function of the water content of the oxide. The acid disperses in the pores of the silica if the silica is in equilibrium with ambient laboratory humidity. The acid displays high mobility as evidenced by a liquid-like, Lorentzian resonance. Excess benzoic acid remains as the crystalline hydrogen-bonded dimer. Benzoic acid reacts with titania and alumina surfaces in equilibrium with laboratory air to form the corresponding titanium and aluminum benzoates. In both materials the oxygen of the 17O-labeled acid is bound to the metal, showing the reaction proceeds by bond formation between oxygen deficient metal sites and the oxygen of the carboxylic acid. 27Al MAS NMR confirms this mechanism for the reaction on alumina. Dry mixing of benzoic acid with alumina rapidly quenches pentacoordinate aluminum sites, excellent evidence that these sites are confined to the surface of the alumina particles.

  4. Acutifoliside, a novel benzoic acid glycoside from Salix acutifolia.

    Science.gov (United States)

    Wu, Yanqi; Dobermann, Darja; Beale, Michael H; Ward, Jane L

    2016-08-01

    Ultra high-performance liquid chromatography-mass spectrometry (UHPLC-MS) profiling of a polar solvent extract of juvenile stem tissue of Salix acutifolia Willd. identified a range of phenolic metabolites. Salicortin, 1, a well-known salicinoid, was the major compound present and the study identified young stem tissue of this species as a potential source of this compound for future studies. Three further known metabolites (salicin 2, catechin 3 and tremuloidin 4) were also present. The UHPLC-MS analysis also revealed the presence of a further, less polar, unknown compound, which was isolated via HPLC peak collection. The structure was elucidated by high-resolution mass spectroscopic analysis, 1- and 2-D NMR analysis and chemical derivatisation and was shown to be a novel benzoic acid glycoside 5, which we have named as acutifoliside. PMID:26820172

  5. Benzoic Acid-Inducible Gene Expression in Mycobacteria.

    Directory of Open Access Journals (Sweden)

    Marte S Dragset

    Full Text Available Conditional expression is a powerful tool to investigate the role of bacterial genes. Here, we adapt the Pseudomonas putida-derived positively regulated XylS/Pm expression system to control inducible gene expression in Mycobacterium smegmatis and Mycobacterium tuberculosis, the causative agent of human tuberculosis. By making simple changes to a Gram-negative broad-host-range XylS/Pm-regulated gene expression vector, we prove that it is possible to adapt this well-studied expression system to non-Gram-negative species. With the benzoic acid-derived inducer m-toluate, we achieve a robust, time- and dose-dependent reversible induction of Pm-mediated expression in mycobacteria, with low background expression levels. XylS/Pm is thus an important addition to existing mycobacterial expression tools, especially when low basal expression is of particular importance.

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

    DEFF Research Database (Denmark)

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

    2010-01-01

    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...

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

    Energy Technology Data Exchange (ETDEWEB)

    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

    2010-07-01

    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)

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

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    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.

  9. Benzoic acid derivatives from Piper species and their antiparasitic activity.

    Science.gov (United States)

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

    2008-09-01

    Piper glabratum and P. acutifolium were analyzed for their content of main secondary constituents, affording nine new benzoic acid derivatives (1, 2, 4, 5, 7, and 10-13), in addition to four known compounds (3, 6, 8, and 9). Their structures were elucidated on the basis of spectroscopic data. Riguera ester reactions and optical rotation measurements established the new compounds as racemates. In the search for antiparasitic agents, the compounds were evaluated in vitro against the promastigote forms of Leishmania spp., Trypanosoma cruzi, and Plasmodium falciparum. Among the evaluated compounds, methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate (7) exhibited leishmanicidal effect (IC50 13.8-18.5 microg/mL) against the three Leishmania strains used, and methyl 3,4-dihydroxy-5-(2-hydroxy-3-methylbutenyl)benzoate (1), methyl 4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)benzoate (3), and methyl 3,4-dihydroxy-5-(3-methyl-2-butenyl) benzoate (7) showed significant trypanocidal activity, with IC50 values of 16.4, 15.6, and 18.5 microg/mL, respectively. PMID:18712933

  10. Study of self assembly system formed by malic acid and alkyloxy benzoic acids

    Energy Technology Data Exchange (ETDEWEB)

    Vijakumar, Vellalapalayam Nallagounder; Madhu Mohan, Mathukumalli Lakshmi Narayana [Bannari Amman Inst. of Technology, Sathyamangalam (IN). Liquid Crystal Research Lab. (LCRL)

    2010-12-15

    Self assembly systems formed by malic acid and alkyloxy benzoic acids are characterized. The ferroelectric ingredient malic acid formed double hydrogen bond with p-n-alkyloxy benzoic acids. Various hydrogen bonded complexes have been synthesized with malic acid and pentyl to dodecyloxy benzoic acid, respectively. Fourier transformation infrared (FTIR) studies confirm the hydrogen bond formation. Polarizing optical microscopic (POM) studies revealed the textural information while the transition and enthalpy values are calculated from differential scanning calorimetry (DSC) studies. A phase diagram has been constructed from the POMand DSC studies. Anew smectic ordering, smectic X*, has been identified which exhibits a finger print type texture. This phase has been characterized by POM, DSC, helix, and tilt angle studies. The transition from traditional cholesteric to smectic X{sup *} phase is observed to be first order. The tilt angle data in this phase has been fitted to a power law and the temperature variation of the tilt angle follows mean field theory predictions. The results of FTIR, POM, DSC, tilt angle, and helicoidal studies are discussed. (orig.)

  11. Inhibition of Aspergillus growth and aflatoxin release by derivatives of benzoic acid.

    OpenAIRE

    Chipley, J. R.; Uraih, N

    1980-01-01

    A study was conducted to determine the effects of o-nitrobenzoate, p-aminobenzoate, benzocaine (ethyl aminobenzoate), ethyl benzoate, methyl benzoate, salicylic acid (o-hydroxybenzoate), trans-cinnamic acid (beta-phenylacrylic acid), trans-cinnamaldehyde (3-phenylpropenal), ferulic acid (p-hydroxy-3-methoxycinnamic acid), aspirin (o-acetoxy benzoic acid), and anthranilic acid (o-aminobenzoic acid) upon growth and aflatoxin release in Aspergillus flavus NRRL 3145 and A. parasiticus NRRL 3240. ...

  12. Solubilities of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures

    International Nuclear Information System (INIS)

    Highlights: • Solubilities of benzoic acid in (benzyl alcohol + benzaldehyde) mixtures were measured at 1 atm. • The experimental temperature ranges at (298.35 to 355.65) K. • Effects of benzyl alcohol mass concentration at (0.00 to 1.00) on the solubilities of benzoic acid were studied. • The experimental data were correlated with NRTL model. • Thermodynamic functions of dissolution of benzoic acid in (benzyl alcohol + benzaldehyde) mixtures were discussed. - Abstract: The solubility of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures was measured at temperature from (298.35 to 355.65) K and atmospheric pressure. The measured solubility increases with the increasing temperature at constant solvent composition. The effects of mass fraction benzaldehyde in the solvent mixtures at (0.0 to 1.00) on the solubility were studied. The measured solubility decreases with the increasing mass fraction of benzaldehyde. The experimental results were correlated with the non-random two-liquid (NRTL) equations, and good agreement between the correlated and the experimental values was obtained. Thermodynamic functions for the solution of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures were calculated with the van’t Hoff plot. The apparent dissolution Gibbs free energy change was also calculated

  13. Photoelectrocatalytic Performance of Benzoic Acid on TiO2 Nanotube Array Electrodes

    Directory of Open Access Journals (Sweden)

    Hongchong Chen

    2013-01-01

    Full Text Available The photoelectrocatalytic performance of benzoic acid on TiO2 nanotube array electrodes was investigated. A thin-cell was used to discuss the effect of the bias voltage, illumination intensity, and electrolyte concentration on the photoelectrocatalytic degradation efficiency of benzoic acid. The photogenerated current-time (I-t profiles were found to be related to the adsorption and the degradation process. The relationship between the initial concentration and the photocurrent peaks (I0ph fits the Langmuir-type adsorption model, thus confirming that the adsorption of benzoic acid on TiO2 nanotube arrays (TNAs was single monolayer adsorption. At low concentrations, the I-t profiles simply decay after the initial transient peak due to the sufficient holes on the TNAs which would oxidize the benzoic acid quickly. However, the I-t profiles varied with increasing benzoic acid concentrations because the rate of diffusion in the bulk solution and the degradation of the intermediate products affect the photoelectrocatalysis on the electrode surface.

  14. Direct reduction of some benzoic acids to alcohols via NaBH4-Br2

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Direct reduction of seven benzoic acids to alcohols via sodium borohydride-bromine (NaBH4-Br2) reagent was developed. The isolated yields for the seven acids to reduce reached 60.6-90.1 %. This new synthesis route has the advantages of simple of application, low cost, mild nature, and satisfactory yields.

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

    DEFF Research Database (Denmark)

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

    2008-01-01

    given 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...

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

    Institute of Scientific and Technical Information of China (English)

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

    2004-01-01

    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.

  17. 4-[(2-Hydroxy-4-pentadecyl-benzylidene-amino]-benzoic Acid Methyl Ester

    Directory of Open Access Journals (Sweden)

    Gadada Naganagowda

    2013-11-01

    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.

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

    Institute of Scientific and Technical Information of China (English)

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

    2008-01-01

    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.

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

    Directory of Open Access Journals (Sweden)

    Dahanukar Sharadini

    1978-01-01

    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.

  20. Ferrous iron oxidation by Thiobacillus ferrooxidans: inhibition with benzoic acid, sorbic acid and sodium lauryl sulfate

    Energy Technology Data Exchange (ETDEWEB)

    Onysko, S.J.

    1984-07-01

    Acid mine drainage is formed by the weathering or oxidation of pyritic material exposed during coal mining. The rate of pyritic material oxidation can be greatly accelerated by certain acidophilic bacteria such as Thiobacillus ferrooxidans which catalyse the oxidation of ferrous to ferric iron. A number of organic compounds, under laboratory conditions, can apparently inhibit both the oxidation of ferrous to ferric iron by T. ferrooxidans and the weathering of pyritic material by mixed cultures of acid mine drainage micro-organisms. Sodium lauryl sulphate (SLS), an anionic surfactant has proved effective in this respect. Benzoic acid, sorbic acid and SLS at low concentrations, each effectively inhibited bacterial oxidation of ferrous iron in batch cultures of T. ferrooxidans. The rate of chemical oxidation of ferrous iron in low pH, sterile, batch reactors was not substantially affected at the tested concentrations of any of the compounds.

  1. Ferrous iron oxidation by Thiobacillus ferrooxidans: inhibition with benzoic acid, sorbic acid, and sodium lauryl sulfate

    Energy Technology Data Exchange (ETDEWEB)

    Onysko, S.J.; Kleinmann, R.L.P.; Erickson, P.M.

    1984-07-01

    Thiobacillus ferrooxidans promote indirect oxidation of pyrite through the catalysis of the oxidation of ferrous iron to ferric iron, which is an effective oxidant of pyrite. These bacteria also may catalyze direct oxidation of pyrite by oxygen. A number of organic compounds, under laboratory conditions, can apparently inhibit both the oxidation of ferrous iron to ferric iron by T. ferrooxidans and the weathering of pyritic material by mixed cultures of acid mine drainage microorganisms. In this study, benzoic acid, sorbic acid, and sodium lauryl sulfate at low concentrations (5 to 10 mg/liter) each effectively inhibited bacterial oxidation of ferrous iron in batch cultures of Thiobacillus ferrooxidans. The rate of chemical oxidation of ferrous iron in low-pH, sterile batch reactors was not substantially affected at the tested concentrations (5 to 50 mg/liter) of any of the compounds.

  2. Luminescent polymethacrylate composite nanofibers containing a benzoic acid rare earth complex: Morphology and luminescence properties

    International Nuclear Information System (INIS)

    Highlights: • We synthesize PMMA composite nanofibers containing benzoic acid rare earth complex. • We investigate the effects of nanofiber morphology on luminescence properties. • Nanofibers with different morphologies had different luminescence characteristics. • Fluorescence intensity and emission lifetime of porous nanobeads were the highest. • Nanofibers with a porous structure showed the stronger fluorescent recognition ability. - Abstract: In this study, we systematically investigated the morphologies and luminescence properties of luminescent polymethacrylate composite nanofibers containing a benzoic acid rare earth complex. The analysis results indicated that the benzoic acid rare earth complex, Tb(4-methylbenzoic acid)3phen, was distributed uniformly in the polymethacrylate nanofibers, which were fabricated by electrostatic spinning. The Tb(4-methylbenzoic acid)3phen content in the polymethacrylate nanofibers was as high as 20% (mass%). The emission peaks of the as-prepared polymethacrylate composite nanofibers corresponded to the characteristic 5D4–7F6,5,4,3 transitions of Tb3+ ions. The highest emission peak was observed at 548 nm and corresponded to the 5D4–7F5 transition. When the Tb(4-methylbenzoic acid)3phen content was less than 1%, even a 0.2% increase in the content increased the fluorescence intensity markedly. The thermal stability of the rare earth complex was higher in the as-prepared nanofibers; the initial decomposition temperature of the polymethacrylate composite nanofiber reached 291 °C. Composite nanofibers with different morphologies exhibited different luminescence characteristics. The fluorescence intensity and emission lifetime of porous nanobeads were nine and two times higher, respectively, than those of smooth nanofibers. The better morphological and luminescence properties exhibited by the synthesized luminescent polymethacrylate composite nanofibers should result in the use of benzoic acid rare earth complexes in

  3. Luminescent polymethacrylate composite nanofibers containing a benzoic acid rare earth complex: Morphology and luminescence properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Fulai [Tianjin Municipal Key Lab of Fiber Modification and Functional Fiber, Tianjin Polytechnic University, 300387 Tianjin (China); Xi, Peng, E-mail: xpsyq0007@sina.com [Tianjin Municipal Key Lab of Fiber Modification and Functional Fiber, Tianjin Polytechnic University, 300387 Tianjin (China); State Key laboratory of Polymer Physics and Chemistry, Institute of Chemistry, Chinese Academy of Sciences, 100080 Beijing (China); Xia, Haiying; Wang, Chaohua; Gao, Li [Tianjin Municipal Key Lab of Fiber Modification and Functional Fiber, Tianjin Polytechnic University, 300387 Tianjin (China); Cheng, Bowen, E-mail: Bowen@tjpu.edu.cn [Tianjin Municipal Key Lab of Fiber Modification and Functional Fiber, Tianjin Polytechnic University, 300387 Tianjin (China)

    2015-08-25

    Highlights: • We synthesize PMMA composite nanofibers containing benzoic acid rare earth complex. • We investigate the effects of nanofiber morphology on luminescence properties. • Nanofibers with different morphologies had different luminescence characteristics. • Fluorescence intensity and emission lifetime of porous nanobeads were the highest. • Nanofibers with a porous structure showed the stronger fluorescent recognition ability. - Abstract: In this study, we systematically investigated the morphologies and luminescence properties of luminescent polymethacrylate composite nanofibers containing a benzoic acid rare earth complex. The analysis results indicated that the benzoic acid rare earth complex, Tb(4-methylbenzoic acid){sub 3}phen, was distributed uniformly in the polymethacrylate nanofibers, which were fabricated by electrostatic spinning. The Tb(4-methylbenzoic acid){sub 3}phen content in the polymethacrylate nanofibers was as high as 20% (mass%). The emission peaks of the as-prepared polymethacrylate composite nanofibers corresponded to the characteristic {sup 5}D{sub 4}–{sup 7}F{sub 6,5,4,3} transitions of Tb{sup 3+} ions. The highest emission peak was observed at 548 nm and corresponded to the {sup 5}D{sub 4}–{sup 7}F{sub 5} transition. When the Tb(4-methylbenzoic acid){sub 3}phen content was less than 1%, even a 0.2% increase in the content increased the fluorescence intensity markedly. The thermal stability of the rare earth complex was higher in the as-prepared nanofibers; the initial decomposition temperature of the polymethacrylate composite nanofiber reached 291 °C. Composite nanofibers with different morphologies exhibited different luminescence characteristics. The fluorescence intensity and emission lifetime of porous nanobeads were nine and two times higher, respectively, than those of smooth nanofibers. The better morphological and luminescence properties exhibited by the synthesized luminescent polymethacrylate composite

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

    Institute of Scientific and Technical Information of China (English)

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

    2005-01-01

    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%.

  5. Effect of Lateral Substitution on the Electronics and Phase Transitions of Stilbazoles, Benzoic Acids, Phenols, and Hydrogen Bonded Mixtures

    OpenAIRE

    Jeremy R. Wolf

    2015-01-01

    The preparation and characterization of laterally substituted 4-alkoxy-stilbazoles, 4-alkoxy-benzoic acids, and 4-alkoxy phenols and hydrogen bonded heterodimeric mixtures of these compounds are reported. Lateral substitution has a minimal effect on the ring electronics of 4-alkoxy benzoic acids and 4-alkoxy phenols; however the ring electronics of stilbazole units is extremely sensitive to lateral substitution. While lateral substitution is an effective technique for lowering the melting poi...

  6. Oxidation of benzaldehydes to benzoic acid derivatives by three Desulfovibrio strains.

    OpenAIRE

    Zellner, G; Kneifel, H; De Winter, J.

    1990-01-01

    Desulfovibrio vulgaris Marburg, "Desulfovibrio simplex" XVI, and Desulfovibrio sp. strain MP47 used benzaldehydes such as vanillin, 3,4,5-trimethoxybenzaldehyde, protocatechualdehyde, syringaldehyde, p-anisaldehyde, p-hydroxybenzaldehyde, and 2-methoxybenzaldehyde as electron donors for sulfate reduction and carbon dioxide and/or components of yeast extract as carbon sources for cell synthesis. The aldehydes were oxidized to their corresponding benzoic acids. The three sulfate reducers oxidiz...

  7. 2-Amino-4,6-dimethylpyrimidine–benzoic acid (1/1

    Directory of Open Access Journals (Sweden)

    A-Lan Meng

    2009-07-01

    Full Text Available The crystal of the title compound, C6H9N3·C7H6O2, contains tetrameric hydrogen-bonded units comprising a central pair of 2-aminopyrimidine molecules linked across a centre of inversion by N—H...N hydrogen bonds and two pendant benzoic acid molecules attached through N—H...O and O—H...N hydrogen bonds. These hydrogen-bonded units are arranged into layers in (002.

  8. 2-Amino-4,6-dimethyl­pyrimidine–benzoic acid (1/1)

    OpenAIRE

    A-Lan Meng; Jun-E Huang; Bin Zheng; Zhen-Jiang Li

    2009-01-01

    The crystal of the title compound, C6H9N3·C7H6O2, contains tetrameric hydrogen-bonded units comprising a central pair of 2-aminopyrimidine molecules linked across a centre of inversion by N—H...N hydrogen bonds and two pendant benzoic acid molecules attached through N—H...O and O—H...N hydrogen bonds. These hydrogen-bonded units are arranged into layers in (002).

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

    Science.gov (United States)

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

    2016-01-01

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

    Directory of Open Access Journals (Sweden)

    André Brisolari

    2014-07-01

    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.

  11. Accurate prediction of the toxicity of benzoic acid compounds in mice via oral without using any computer codes.

    Science.gov (United States)

    Keshavarz, Mohammad Hossein; Gharagheizi, Farhad; Shokrolahi, Arash; Zakinejad, Sajjad

    2012-10-30

    Most of benzoic acid derivatives are toxic, which may cause serious public health and environmental problems. Two novel simple and reliable models are introduced for desk calculations of the toxicity of benzoic acid compounds in mice via oral LD(50) with more reliance on their answers as one could attach to the more complex outputs. They require only elemental composition and molecular fragments without using any computer codes. The first model is based on only the number of carbon and hydrogen atoms, which can be improved by several molecular fragments in the second model. For 57 benzoic compounds, where the computed results of quantitative structure-toxicity relationship (QSTR) were recently reported, the predicted results of two simple models of present method are more reliable than QSTR computations. The present simple method is also tested with further 324 benzoic acid compounds including complex molecular structures, which confirm good forecasting ability of the second model. PMID:22959133

  12. Self-enhanced ozonation of benzoic acid at acidic pHs.

    Science.gov (United States)

    Huang, Xianfeng; Li, Xuchun; Pan, Bingcai; Li, Hongchao; Zhang, Yanyang; Xie, Bihuang

    2015-04-15

    Ozonation of recalcitrant contaminants under acidic conditions is inefficient due to the lack of initiator (e.g., OH(-)) for ozone to produce hydroxyl radicals (HO). In this study, we reported that benzoic acid (BA), which is inert to ozone attack, underwent efficient degradation by ozone at acidic pH (2.3). The kinetics of BA degradation and ozone decomposition were both enhanced by increasing BA concentrations. Essentially, it is a HO-mediated reaction. Based on the exclusion of possible contributions of H2O2 and phenol-like intermediates for HO production, the reaction mechanism involved the formation of ozone ion ( [Formula: see text] ), which is an effective precursor of HO, was thus proposed. The hydroxycyclohexadienyl-type radicals generated during the attack of BA by HO may lead to the formation of [Formula: see text] . Meanwhile, [Formula: see text] could also be possibly formed from the reaction between ozone and organic (e.g., ROO∙) or inorganic peroxyl radicals (e.g., HO2). In addition, the hydroxylated products like phenol-like intermediates also played a positive role in HO production. Consequently, HO was produced efficiently under acidic conditions, resulting in rapid degradation of BA. This study provides a new approach for ozone activation even at acidic pHs, and broadens the knowledge of ozonation in removal of micropollutants from water. PMID:25635752

  13. 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

    Institute of Scientific and Technical Information of China (English)

    贾青竹; 马沛生; 马少娜; 王昶

    2007-01-01

    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.

  14. Accurate prediction of the toxicity of benzoic acid compounds in mice via oral without using any computer codes

    International Nuclear Information System (INIS)

    Highlights: ► A novel method is introduced for desk calculation of toxicity of benzoic acid derivatives. ► There is no need to use QSAR and QSTR methods, which are based on computer codes. ► The predicted results of 58 compounds are more reliable than those predicted by QSTR method. ► The present method gives good predictions for further 324 benzoic acid compounds. - Abstract: Most of benzoic acid derivatives are toxic, which may cause serious public health and environmental problems. Two novel simple and reliable models are introduced for desk calculations of the toxicity of benzoic acid compounds in mice via oral LD50 with more reliance on their answers as one could attach to the more complex outputs. They require only elemental composition and molecular fragments without using any computer codes. The first model is based on only the number of carbon and hydrogen atoms, which can be improved by several molecular fragments in the second model. For 57 benzoic compounds, where the computed results of quantitative structure–toxicity relationship (QSTR) were recently reported, the predicted results of two simple models of present method are more reliable than QSTR computations. The present simple method is also tested with further 324 benzoic acid compounds including complex molecular structures, which confirm good forecasting ability of the second model.

  15. Accurate prediction of the toxicity of benzoic acid compounds in mice via oral without using any computer codes

    Energy Technology Data Exchange (ETDEWEB)

    Keshavarz, Mohammad Hossein, E-mail: mhkeshavarz@mut-es.ac.ir [Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr P.O. Box 83145/115, Isfahan, Islamic Republic of Iran (Iran, Islamic Republic of); Gharagheizi, Farhad [Department of Chemical Engineering, Buinzahra Branch, Islamic Azad University, Buinzahra, Islamic Republic of Iran (Iran, Islamic Republic of); Shokrolahi, Arash; Zakinejad, Sajjad [Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr P.O. Box 83145/115, Isfahan, Islamic Republic of Iran (Iran, Islamic Republic of)

    2012-10-30

    Highlights: Black-Right-Pointing-Pointer A novel method is introduced for desk calculation of toxicity of benzoic acid derivatives. Black-Right-Pointing-Pointer There is no need to use QSAR and QSTR methods, which are based on computer codes. Black-Right-Pointing-Pointer The predicted results of 58 compounds are more reliable than those predicted by QSTR method. Black-Right-Pointing-Pointer The present method gives good predictions for further 324 benzoic acid compounds. - Abstract: Most of benzoic acid derivatives are toxic, which may cause serious public health and environmental problems. Two novel simple and reliable models are introduced for desk calculations of the toxicity of benzoic acid compounds in mice via oral LD{sub 50} with more reliance on their answers as one could attach to the more complex outputs. They require only elemental composition and molecular fragments without using any computer codes. The first model is based on only the number of carbon and hydrogen atoms, which can be improved by several molecular fragments in the second model. For 57 benzoic compounds, where the computed results of quantitative structure-toxicity relationship (QSTR) were recently reported, the predicted results of two simple models of present method are more reliable than QSTR computations. The present simple method is also tested with further 324 benzoic acid compounds including complex molecular structures, which confirm good forecasting ability of the second model.

  16. Crystal structure of 3-ethynyl-benzoic acid.

    Science.gov (United States)

    Venturini, Chiara; Ratel-Ramond, Nicolas; Gourdon, Andre

    2015-10-01

    In the title compound, C9H6O2, the carb-oxy-lic acid group is almost in the plane of the benzene ring, making a dihedral angle of 2.49 (18)°. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming classical acid-acid inversion dimers, with an R 2 (2)(8) ring motif. The dimers are linked by pairs of C-H⋯O hydrogen bonds forming chains, enclosing R 2 (2)(16) ring motifs, propagating along the c-axis direction. PMID:26594457

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

    Science.gov (United States)

    Mischek, Daniela; Krapfenbauer-Cermak, Christine

    2012-01-01

    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

  18. Self-sufficient redox biotransformation of lignin-related benzoic acids with Aspergillus flavus.

    Science.gov (United States)

    Palazzolo, Martín A; Mascotti, María L; Lewkowicz, Elizabeth S; Kurina-Sanz, Marcela

    2015-12-01

    Aromatic carboxylic acids are readily obtained from lignin in biomass processing facilities. However, efficient technologies for lignin valorization are missing. In this work, a microbial screening was conducted to find versatile biocatalysts capable of transforming several benzoic acids structurally related to lignin, employing vanillic acid as model substrate. The wild-type Aspergillus flavus growing cells exhibited exquisite selectivity towards the oxidative decarboxylation product, 2-methoxybenzene-1,4-diol. Interestingly, when assaying a set of structurally related substrates, the biocatalyst displayed the oxidative removal of the carboxyl moiety or its reduction to the primary alcohol whether electron withdrawing or donating groups were present in the aromatic ring, respectively. Additionally, A. flavus proved to be highly tolerant to vanillic acid increasing concentrations (up to 8 g/L), demonstrating its potential application in chemical synthesis. A. flavus growing cells were found to be efficient biotechnological tools to perform self-sufficient, structure-dependent redox reactions. To the best of our knowledge, this is the first report of a biocatalyst exhibiting opposite redox transformations of the carboxylic acid moiety in benzoic acid derivatives, namely oxidative decarboxylation and carboxyl reduction, in a structure-dependent fashion. PMID:26445878

  19. Crystal structure of 3-[(2-acetylphenoxycarbonyl]benzoic acid

    Directory of Open Access Journals (Sweden)

    Mohammad Shoaib

    2014-11-01

    Full Text Available In the title compound, C16H12O5, synthesized from isopthaloyl chloride and 2′-hydroxyacetophenone, the dihedral angle between the planes of the aromatic rings is 71.37 (9°. In the crystal, carboxylic acid inversion dimers generate R22(8 loops. The dimers are linked by C—H...O interactions, generating (101 sheets.

  20. ATR-FTIR characterization of transport properties of benzoic acid ion-pairs in silicone membranes.

    Science.gov (United States)

    Tantishaiyakul, Vimon; Phadoongsombut, Narubodee; Wongpuwarak, Wibul; Thungtiwachgul, Jatupit; Faroongsarng, Damrongsak; Wiwattanawongsa, Kamonthip; Rojanasakul, Yon

    2004-09-28

    A novel technique based on Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy was used to study the transport of benzoic acid ion-pairs/salts in silicone membranes. The benzoic acid ion-pairs were prepared using various counter-ions with different degrees of lipophilicity, e.g. triethylamine (TA), diethylamine (DE), tert-butylamine (t-BA), 2-amino-2-methyl-propanol (AMP), and 2-amino-2-methyl-propanediol (AMPD). Silicone membrane, treated or untreated with propylene glycol (PG), was placed on the surface of a ZnSe crystal and the transport solution was applied to the upper surface of the membrane. A mathematical model, based on Fick's second law describing the build up of permeant concentration at the membrane/crystal interface with time was applied to determine diffusion coefficients. Absorption due to the acid (1700 cm(-1)) or benzoate anion (1555 cm(-1)) was observed at different regions without the interference from PG or silicone membrane. Benzoate anion, a charged species, was observed to permeate the membrane. The permeation of benzoate anion from sodium benzoate and polar ion-pairs of AMP and AMPD was very low in contrast to their high-saturated concentrations in PG as compared to the t-BA ion-pair. This indicated that benzoate anion preferentially permeates the membrane as an ion-pair rather than a single anion; otherwise its permeation should correspond to its concentration in PG instead of the lipophilicity of the ion-pairs. Additionally, the diffusion coefficient values of benzoic acid and benzoate anions through the treated and untreated membranes were not statistically different. PMID:15363507

  1. A Benzoic Acid Derivative and Flavokawains from Piper species as Schistosomiasis Vector Controls

    Directory of Open Access Journals (Sweden)

    Ludmila N. Rapado

    2014-04-01

    Full Text Available 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.

  2. Synthesis, structural characterization and quantum chemical studies of silicon-containing benzoic acid derivatives

    Science.gov (United States)

    Zaltariov, Mirela-Fernanda; Cojocaru, Corneliu; Shova, Sergiu; Sacarescu, Liviu; Cazacu, Maria

    2016-09-01

    The present paper is concerned with the synthesis and molecular structure investigation of two new benzoic acid derivatives having trimethylsilyl tails, 4-((trimethylsilyl)methoxy) and 4-(3-(trimethylsilyl)propoxy)benzoic acids. The structures of the novel compounds have been confirmed by X-ray crystallography, Fourier-transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (1H and 13C NMR). The theoretical studies of molecules were conducted by using the quantum chemical methods, such as Density Functional Theory (DFT B3LYP/6-31 + G**), Hartree-Fock (HF/6-31 + G**) and semiempirical computations (PM3, PM6 and PM7). The optimized molecular geometries have been found to be in good agreement with experimental structures resulted from the X-ray diffraction. The maximum electronic absorption bands observed at 272-287 nm (UV-vis spectra) have been assigned to π → π* transitions, which were in reasonable agreement with the time dependent density functional theory (TD-DFT) calculations. The computed vibrational frequencies by DFT method were assigned and compared with the experimental FTIR spectra. The mapped electrostatic potentials revealed the reactive sites, which corroborated the observation of the dimer supramolecular structures formed in the crystals by hydrogen-bonding. The energies of frontier molecular orbitals (HOMO and LUMO), energy gap, dipole moment and molecular descriptors for the new compounds were calculated and discussed.

  3. Ion-exclusion chromatography with conductimetric detection of aliphatic carboxylic acids on a weakly acidic cation-exchange resin by elution with benzoic acid-beta-cyclodextrin.

    Science.gov (United States)

    Tanaka, Kazuhiko; Mori, Masanobu; Xu, Qun; Helaleh, Murad I H; Ikedo, Mikaru; Taoda, Hiroshi; Hu, Wenzhi; Hasebe, Kiyoshi; Fritz, James S; Haddad, Paul R

    2003-05-16

    In this study, an aqueous solution consisting of benzoic acid with low background conductivity and beta-cyclodextrin (beta-CD) of hydrophilic nature and the inclusion effect to benzoic acid were used as eluent for the ion-exclusion chromatographic separation of aliphatic carboxylic acids with different pKa values and hydrophobicity on a polymethacrylate-based weakly acidic cation-exchange resin in the H+ form. With increasing concentration of beta-cyclodextrin in the eluent, the retention times of the carboxylic acids decreased due to the increased hydrophilicity of the polymethacrylate-based cation-exchange resin surface from the adsorption of OH groups of beta-cyclodextrin. Moreover, the eluent background conductivity decreased with increasing concentration of beta-cyclodextrin in 1 mM benzoic acid, which could result in higher sensitivity for conductimetric detection. The ion-exclusion chromatographic separation of carboxylic acids with high resolution and sensitivity was accomplished successfully by elution with a 1 mM benzoic acid-10 mM cyclodextrin solution without chemical suppression. PMID:12830884

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

    Directory of Open Access Journals (Sweden)

    Kyu Yun Chai

    2012-02-01

    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.

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

    Institute of Scientific and Technical Information of China (English)

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

    2005-01-01

    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.

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

    Science.gov (United States)

    Abbasi, Mohammad; Khalifeh, Reza

    2015-01-01

    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. PMID:26425185

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

    Science.gov (United States)

    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...

  8. NMR study of the epoxidation of liquid hydrolyzed poly-butadiene and meta-chloro-per-benzoic acid

    International Nuclear Information System (INIS)

    This work presents a study concerning the selectivity of the different configurations of the double bond present in liquid hydrolyzed poly-butadiene towards the epoxidation reaction with meta-chloro-per-benzoic acid through hydrogen-1, carbon-13 NMR aiming the production of new materials, varying the epoxidation level

  9. A Novel Graphene Oxide-Para Amino Benzoic Acid Nanosheet as Effective Drug Delivery System to Treat Drug Resistant Bacteria

    Directory of Open Access Journals (Sweden)

    Dipankar Ghosh

    2010-04-01

    Full Text Available A novel graphene oxide-para amino benzoic acid nanosheet was synthesized by modified chemical exfoliation of expandable graphite using K2Cr2O7. Physico-chemical characteristics of graphene oxide-para-amino benzoic acid nanosheet were determined by field emission scanning electron microscopy, fourier transform spectroscopy, fluorescence spectroscopy and biocompatibility assay. Experimental results showed that the average size and zeta potential of graphene oxide-para amino benzoic acid nanosheet sheets 100 nm and -34.9 (±7.03 mV, respectively. Afterwards, tetracycline drug loading efficiency and drug releasing efficiency were also monitored. Drug loading and drug releasing efficiency were found to be 64.075 (±2.74 and 38.35 (±0.07 %, respectively. Finally, antimicrobial activity of tetracycline loaded this nanosheet was determined in terms of minimal inhibitory concentration and putative mode of action on tetracycline resistant bacteria Escherichia coli XL-1. The minimal inhibitory concentration of this nanosheet was found to be 110 μg/ml. Hence, it has been clearly shown that graphene oxide-para amino benzoic acid nanosheet has very unique features as drug delivery system to treat drug resistant bacteria.

  10. Rh(III)-Catalyzed Oxidative Coupling of Benzoic Acids with Geminal-Substituted Vinyl Acetates: Synthesis of 3-Substituted Isocoumarins.

    Science.gov (United States)

    Zhang, Mingliang; Zhang, Hui-Jun; Han, Tiantian; Ruan, Wenqing; Wen, Ting-Bin

    2015-01-01

    The Rh(III)-catalyzed C-H activation initiated cyclization of benzoic acids with electron-rich geminal-substituted vinyl acetates was described. The reaction was employed to prepare a range of 3-aryl and 3-alkyl substituted isocoumarins selectively. PMID:25436434

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

    Science.gov (United States)

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

    2016-04-01

    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.

  12. High acceleration of the direct aldol reaction cocatalyzed by BINAM-prolinamides and benzoic acid in aqueous media

    OpenAIRE

    Guillena Townley, Gabriela; Hita López, María del Carmen; Nájera Domingo, Carmen

    2006-01-01

    The enantioselective direct aldol reaction, organocatalyzed by recoverable BINAM-prolinamide derivatives can be highly accelerated by a catalytic amount of a carboxylic acid without a detrimental of the obtained enantioselectivities. From the study of suitable acids and reaction conditions, benzoic acid in aqueous DMF or in water was shown to give the best results with high yields and enantioselectivities. Thus, the reaction between p-nitrobenzaldehyde and acetone catalyzed by (Sa)-B...

  13. C-3 benzoic acid derivatives of C-3 deoxybetulinic acid and deoxybetulin as HIV-1 maturation inhibitors.

    Science.gov (United States)

    Liu, Zheng; Swidorski, Jacob J; Nowicka-Sans, Beata; Terry, Brian; Protack, Tricia; Lin, Zeyu; Samanta, Himadri; Zhang, Sharon; Li, Zhufang; Parker, Dawn D; Rahematpura, Sandhya; Jenkins, Susan; Beno, Brett R; Krystal, Mark; Meanwell, Nicholas A; Dicker, Ira B; Regueiro-Ren, Alicia

    2016-04-15

    A series of C-3 phenyl- and heterocycle-substituted derivatives of C-3 deoxybetulinic acid and C-3 deoxybetulin was designed and synthesized as HIV-1 maturation inhibitors (MIs) and evaluated for their antiviral activity and cytotoxicity in cell culture. A 4-subsituted benzoic acid moiety was identified as an advantageous replacement for the 3'3'-dimethylsuccinate moiety present in previously disclosed MIs that illuminates new aspects of the topography of the pharmacophore. The new analogs exhibit excellent in vitro antiviral activity against wild-type (wt) virus and a lower serum shift when compared with the prototypical HIV-1 MI bevirimat (1, BVM), the first MI to be evaluated in clinical studies. Compound 9a exhibits comparable cell culture potency toward wt virus as 1 (WT EC50=16nM for 9a compared to 10nM for 1). However, the potency of 9a is less affected by the presence of human serum, while the compound displays a similar pharmacokinetic profile in rats to 1. Hence 9a, the 4-benzoic acid derivative of deoxybetulinic acid, represents a new starting point from which to explore the design of a 2nd generation MI. PMID:26968652

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

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xiu-lian

    2008-01-01

    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.

  15. Crystal structures of two erbium(III) complexes with 4-amino-benzoic acid and 4-chloro-3-nitro-benzoic acid.

    Science.gov (United States)

    Smith, Graham; Lynch, Daniel E

    2015-12-01

    The crystal structures of two erbium(III) complexes with 4-amino-benzoic acid (4-ABAH), namely bis-(μ2-4-amino-benzoato-κ(2) O:O')bis-[bis(4-amino-benzoato-κ(2) O,O')di-aqua-erbium(III)] dihydrate, [Er2(C7H6NO2)6(H2O)4]·2H2O, (I), and 4-chloro-3-nitro-benzoic acid (CLNBAH), namely poly[hexa-kis-(μ2-4-chloro-3-nitro-benzoato-κ(2) O:O')bis-(dimethyl sulfoxide-κO)dierbium(III)], [Er2(C7H3ClNO4)6(C2H6OS)2] n , (II), have been determined. In the structure of solvatomorphic compound (I), the symmetry-related irregular ErO8 coordination polyhedra in the discrete centrosymmetric dinuclear complex comprise two monodentate water mol-ecules and six carboxyl-ate O-atom donors, four from two bidentate carboxyl-ate O,O'-chelate groups and two from the bis-monodentate O:O'-bridging group of the third 4-ABA anion. The Er-O bond-length range is 2.232 (3)-2.478 (3) Å and the Er⋯Er separation in the dinuclear complex unit is 4.7527 (4) Å. One of the coordinating water mol-ecules is involved in an intra-unit O-H⋯O hydrogen-bonding association with an inversion-related carboxyl-ate O-atom acceptor. In contrast, the anhydrous compound (II) is polymeric, based on centrosymmetric dinuclear repeat units comprising ErO7 coordination polyhedra which involve four O-atom donors from two bidentate O:O'-bridging carboxyl-ate groups, one O-atom donor from the monodentate dimethyl sulfoxide ligand and two O-atom donors from the third bridging CLNBA anion. The latter provides the inter-unit link in the one-dimensional coordination polymer extending along [100]. The Er-O bond-length range in (II) is 2.239 (6)-2.348 (6) Å and the Er⋯Er separation within the dinuclear unit is 4.4620 (6) Å. In the crystal of (I), extensive inter-dimer O-H⋯O and N-H⋯O hydrogen-bonding inter-actions involving both the coordinating water mol-ecules and the solvent water mol-ecules, as well as the amine groups of the 4-ABA anions, give an overall three-dimensional network structure

  16. Synthesis of 5-nitro-2-[N-3-(4-azidophenyl)-propylamino]-benzoic acid: Photoaffinity labeling of human red blood cell ghosts with a 5-nitro-2-(3-phenylpropylamino)-benzoic acid analog

    International Nuclear Information System (INIS)

    A photoaffinity analog of the potent epithelial chloride channel blocker 5-nitro-2-(3-phenylpropylamino)-benzoic acid has been synthesized and characterized. In the dark, this reagent, 5-nitro-2-[N-3-(4-azidophenyl)-propylamino]-benzoic acid, and the parent compound reversibly inhibited chloride efflux in human red blood cell ghosts. Irradiation of ghost membranes with 350 microM arylazide analog reduced the rate of chloride efflux to 33% of the control value. The photoinactivation process was not reversed by exhaustive washing of ghost membranes. Covalent incorporation of the photoaffinity reagent was supported by difference ultraviolet spectroscopy, which indicated the attachment of the substituted 2-amino-5-nitrobenzoic acid chromophore to ghost membranes. The novel photolabeling agent described here should be a useful structural probe for chloride channels in erythrocyte membranes and epithelial cells

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

    Science.gov (United States)

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

    2015-11-01

    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

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

    DEFF Research Database (Denmark)

    Nielsen, Jesper Bo

    2006-01-01

    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......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...... 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...

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

    Institute of Scientific and Technical Information of China (English)

    YUAN Qunhui; LU Jun; WAN Lijun; BAI Chunli

    2004-01-01

    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.

  20. The curious case of (caffeine)·(benzoic acid): How heteronuclear seeding allowed the formation of an elusive cocrystal

    OpenAIRE

    Bučar, D-K; Reid, D. G.; Duer, M.J.; Jones, W; Day, G.M.; Halasz, I.; Zhang, G. G. Z.; Sander, J. R. G.; MacGillivray, L.R.

    2013-01-01

    Cocrystals are modular multicomponent solids with exceptional utility in synthetic chemistry and materials science. A variety of methods exist for the preparation of cocrystals, yet, some promising cocrystal phases have proven to be intractable synthetic targets. We describe a strategy for the synthesis of the pharmaceutically relevant (caffeine)·(benzoic acid) cocrystal (1), which persistently failed to form using a broad range of established techniques. State-of-the-art crystal structure pr...

  1. Conductometric studies of dissociation constants of benzoic acid in water and 2-propanol mixtures at different temperatures

    International Nuclear Information System (INIS)

    The molar conductance of dilute solutions of benzoic acid in binary mixtures of water and 2-propanol has been measured at temperatures ranging from 298.15 K to 313.15 K. The experimental data were analyzed by means of the Fuoss-Kraus equation (1933) for the derivation of the thermodynamic dissociation constants and limiting molar conductance. The results were compared with those available in literature pertaining to analogue media. (author)

  2. Extraction of Co, Zn, Cd and Hg ions by the molten mixtures of diantipyrylmethane and benzoic acid from thiocyanate solutions

    International Nuclear Information System (INIS)

    The extraction of cobalt, zinc, cadmium and mercury ions with the molten mixtures of diantipyrylmethane and benzoic acid from thiocyanate solutions was studied. Optimum conditions for phase separation, the formation of a melt, and the extraction of the metal ions were determined. The possibility of quantitative extraction of cobalt, zinc and cadmium ions by diantipyrylalkanes from thiocyanate solutions was shown. The composition of the extracted complex compounds was found; the mechanism of extraction was proposed. (author)

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

    Indian Academy of Sciences (India)

    Srinivasa Rao Amanchi; Anjali Patel; Samar K Das

    2014-11-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    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: brunetti@fcq.unc.edu.ar

    2009-07-01

    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.

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

    Indian Academy of Sciences (India)

    Ibrahim Kani; Özlem Atlier; Kiymet Güven

    2016-04-01

    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. Effects of Benzoic Acid and Dietary Calcium:Phosphorus Ratio on Performance and Mineral Metabolism of Weanling Pigs

    OpenAIRE

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

    2014-01-01

    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....

  7. In situ N2O emissions are not mitigated by hippuric and benzoic acids under denitrifying conditions

    International Nuclear Information System (INIS)

    Ruminant urine patches deposited onto pasture are a significant source of greenhouse gas nitrous oxide (N2O) 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 N2O. 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 N2O emissions from urine patches in laboratory studies. However, the sole field study to date found no effect of hippuric and benzoic acid concentration on N2O emissions. Therefore the aim of this study was to investigate the in situ effect of these urine constituents on N2O 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 N2O fluxes were monitored over a 66 day period. Urine application resulted in elevated N2O flux for 44 days. The largest N2O 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 N2O. Cumulative N2O loss from the control was 0.3 kg N2O–N ha−1 compared with 11, 9, 12, and 10 kg N2O–N ha−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 N2O emissions. Although simulation of dietary manipulation to reduce N2O 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. - Highlights: • N2O emissions on day of urine application ranged 13–26% of total N2O loss.

  8. Application of PC-ANN to Acidity Constant Prediction of Various Phenols and Benzoic Acids in Water

    Institute of Scientific and Technical Information of China (English)

    HABIBI-YANGJEH Aziz; ESMAILIAN Mahdi

    2008-01-01

    Principal component regression(PCR)and principal component-artificial neural network(PC-ANN)models were applied to prediction of the acidity constant for various benzoic acids and phenols(242 compounds)in water at 25℃.A large number of theoretical descriptors were calculated for each molecule.The first fifty principal components(PC)were found to explain more than 95% of variances in the original data matrix.From the pool of these PC's.the eigenvalue ranking method was employed to select the best set of PC for PCR and PC-ANN models.The PC-ANN model with architecture 47-20-1 was generated using 47 principal components as inputs and its output is pKa.For evaluation of the predictive power of the PeR and PC-ANN models,pKa values of 37 compounds in the prediction set were calculated.Mean percentage deviation (MPD)for PCR and PC-ANN models are 18.45 and 0.6448,respectively.These improvements are due to the fact that the PKa of the compounds demonstrate non-linear correlations with the principal components.Comparison of the results obtained by the models reveals superiority of the PC-ANN model relative to the PCR model.

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

    Institute of Scientific and Technical Information of China (English)

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

    2009-01-01

    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.

  10. Synthesis of 1,2-dihydro-2-oxo-4-quinolinyl phosphates from 2-acyl-benzoic acids

    Science.gov (United States)

    He, Xinhua; Aglio, Tharcilla; Deschamps, Jeffrey R.; Rai, Rachita; Xue, Fengtian

    2015-01-01

    We report a facile synthesis of 1,2-dihydro-2-oxo-4-quinolinyl phosphates (1a-l) starting from 2-acyl-benzoic acids (2a-l) in the presence of phosphoryl azides via a one-pot cascade reaction involving a Curtius rearrangement, an intramolecular nucleophilic addition of the enol carbon to the isocyanate intermediate, and an addition-elimination of the enol oxygen to the phosphoryl azide. During the reaction three new bonds are formed under mild conditions to yield 1,2-dihydro-2-oxo-4-quinolinyl phosphates in modest yields. PMID:25937677

  11. Dicarboxylic acids, ketocarboxylic acids, α-dicarbonyls, fatty acids and benzoic acid in PM2.5 aerosol collected during CAREBeijing-2007: an effect of traffic restriction on air quality

    OpenAIRE

    K. F. Ho; Huang, R.-J.; Kawamura, K.; E. Tachibana; Lee, S. C.; Ho, S. S. H.; Zhu, T.; Tian, L.

    2015-01-01

    Thirty water-soluble organic species, including dicarboxylic acids, ketocarboxylic acids, α-dicarbonyls, fatty acids and benzoic acid were determined as well as organic carbon (OC), elemental carbon (EC) and water-soluble organic carbon (WSOC) in PM2.5 samples collected during the Campaign of Air Quality Research in Beijing 2007 (CAREBeijing-2007) in the urban and suburban areas of Beijing. The objective of this study is to identify the influence of traffic emissions and reg...

  12. Dicarboxylic acids, ketocarboxylic acids, α-dicarbonyls, fatty acids and benzoic acid in PM2.5 aerosol collected during CAREBeijing-2007: an effect of traffic restriction on air quality

    OpenAIRE

    K. F. Ho; R.-J. Huang; Kawamura, K.; E. Tachibana; Lee, S. C.; Ho, S. S. H.; Zhu, T.; Tian, L.

    2014-01-01

    Thirty water-soluble organic species, including dicarboxylic acids, ketocarboxylic acids, α-dicarbonyls, fatty acids, and benzoic acid were determined as well as organic carbon (OC), elemental carbon (EC) and water-soluble organic carbon (WSOC) in PM2.5 samples collected during the Campaign of Air Quality Research in Beijing 2007 (CAREBeijing-2007) in the urban and suburban areas of Beijing. The objective of this study is to identify the influence of traffic...

  13. Selective extraction of derivates of p-hydroxy-benzoic acid from plant material by using a molecularly imprinted polymer.

    Science.gov (United States)

    Karasová, Gabriela; Lehotay, Jozef; Sádecká, Jana; Skacáni, Ivan; Lachová, Miroslava

    2005-12-01

    Selective SPE of derivates of p-hydroxybenzoic acid (pHBA) from plant extract of Melissa officinalis is presented using a molecularly imprinted polymer (MIP) made with protocatechuic acid (PA) as template molecule. MIP was prepared with acrylamide as functional monomer, ethylene glycol dimethacrylate as crosslinking monomer and ACN as porogen. MIP was evaluated towards six phenolic acids: PA, gallic acid, pHBA, vanillic acid (VA), gentisic acid (GeA) and syringic acid (SyrA), and then steps of molecularly imprinted SPE (MISPE) procedure were optimized. The best specific binding capacity of MIP was obtained for PA in ACN (34.7 microg/g of MIP). Other tested acids were also bound on MIP if they were dissolved in this solvent. ACN was chosen as solvent for sample application. M. officinalis was extracted into methanol/water (4:1, v/v), the extract was then evaporated to dryness and dissolved in ACN before application on MIP. Water and ACN were used as washing solvents and elution of benzoic acids was performed by means of a mixture methanol/acetic acid (9:1, v/v). pHBA, GA, PA and VA were extracted with recoveries of 56.3-82.1% using this MISPE method. GeA was not determined in plant extract. PMID:16405176

  14. Functionalization of Chitosan with 3,4,5-Trihydroxy Benzoic Acid Moiety for The Uptake of Chromium Species

    Directory of Open Access Journals (Sweden)

    Akhmad Sabarudin

    2013-03-01

    Full Text Available Chitosan-based chelating resin, the cross-linked chitosan functionalized with 3,4,5-trihydroxy benzoic acid moiety (CCTS-THBA resin, was newly synthesized and its adsorption behavior toward appropriate elements was investigated. At pH 5-9, the CCTS-THBA resin showed quantitative adsorption (87-91% for Cr (VI, while only < 15% for Cr (III. The addition of cyclohexanediamine tetraacetic acid (CyDTA to the samples resulted in a considerably increase of the adsorption of both chromium species. In this condition, Cr (III is chelated with CyDTA to form anionic complexes at pH 3-5, which was then completely adsorbed on the resin by ion exchange mechanism. Similarly, the adsorption of Cr (VI reached almost 100% in pH range of 3-6. The adsorption capacity of CCTS-THBA resin for Cr (VI was 109 mg g-1.

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

    Energy Technology Data Exchange (ETDEWEB)

    Krol, D.J., E-mail: dominika.krol@teagasc.ie; Forrestal, P.J.; Lanigan, G.J.; Richards, K.G.

    2015-04-01

    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

  16. Aqueous solubility study of salts of benzylamine derivatives and p-substituted benzoic acid derivatives using X-ray crystallographic analysis

    DEFF Research Database (Denmark)

    Parshad, Henrik; Frydenvang, Karla Andrea; Liljefors, Tommy; Sorensen, Henning Osholm; Larsen, Claus

    2004-01-01

    Twenty two p-substituted benzoic acid derivates were used to prepare salts of N-methylbenzylamine (II) and N,N-dimethylbenzylamine (III), respectively. Only five salts of (II) and two salts of (III) were obtained in a crystalline state. The solubility of these salts was orders of magnitude higher...

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

    Indian Academy of Sciences (India)

    Madhavi Oruganti; Raghavaiah Pallepogu; Darshak R Trivedi

    2014-09-01

    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.

  18. Crystal structure of complexes of bivalent Co, Ni, and Cd with anions of benzoic and 2-(acetylamino)-5-nitrobenzoic acids

    International Nuclear Information System (INIS)

    The structure of three complexes of bivalent metals (cobalt, nickel, and cadmium) with anions of benzoic (HL1) and 2-(acetylamino)-5-nitrobenzoic (HL2) acids, namely, [Co21 (H2O)2(μ-C4H4N2)]n (I), [NiL2(H2O)5]L2 · 2H2O (II), and [Cd(μ-L2)2(H2O)2]n · 2nH2O (III), is determined. In chainlike structure I, cobalt atoms are connected by bridging pyrazine molecules; structure II contains isolated complexes. In structure III, centrosymmetric (CdOCO)2 cycles and polymeric ribbons are formed due to the coordination of the carboxylate group of the L2 ligand to two cadmium atoms.

  19. Probe depth matters in dermal microdialysis sampling of benzoic acid after topical application: an ex vivo study in human skin

    DEFF Research Database (Denmark)

    Holmgaard, R; Benfeldt, Eva; Bangsgaard, N;

    2012-01-01

    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) 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 chromatography. Probe depth was measured by 20-MHz...

  20. Effect of 2-hydroxy-4-methoxy benzoic acid from the roots of Hemidesmus indicus on streptozotocin-induced diabetic rats

    Directory of Open Access Journals (Sweden)

    Gayathri M

    2009-01-01

    Full Text Available The aim of the present study was to investigate the effect of 2-hydroxy-4-methoxy benzoic acid isolated from the roots of Hemidesmus indicus on plasma glucose, plasma, erythrocyte and erythrocyte membrane lipid peroxidation and membrane-bound Ca 2+ ATPase activity in streptozotocin-induced diabetic rats. In our study, diabetic rats had increased levels of blood glucose and lipid peroxidation in plasma, erythrocytes and erythrocyte membrane and decreased level of plasma insulin and decreased activity of low affinity Ca 2+ ATPase in erythrocytes. Restoration of plasma insulin and glucose in diabetic rats indicates the effect of HMBA on insulin, glucose and lipid peroxidation. HMBA also restored diabetes-induced alterations in the activity of membrane-bound Ca 2+ ATPase. Based on the results of this study it can be concluded that HMBA mediated normalization of membrane-bound ATPase in erythrocytes is due to improved glycemic control and antioxidant activity.

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

    Institute of Scientific and Technical Information of China (English)

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

    2009-01-01

    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.

  2. Specific features complexation of copper(2), manganese(2) and gadolinium(3) with salicylic, benzoic and sulfosalicylic acids in aqueous solutions of nonionic surfactant

    International Nuclear Information System (INIS)

    Impact of nonionic surfactant Triton-X-100 (TX) on acid-basic and complex-forming properties of benzoic (HR) and sulfosalicylic (H3X) acids is studied through the pH-metric titration and NMR-relaxation methods. The H3X acidic properties in water and in the H surfactant solution are practically similar. Significant increase in the proton relaxation rate values is observed in the solutions of the salicylic acid and TX mixtures by ions presence. The complexes of the [Gd(HL)3(TX)2] composition with lgK 0.22±0.05 are established for the Gd(3). The benzoic acid forms ternary particles in presence of Gadolinium(3): [GdR(TX)] with lgK = 2.17±0.04

  3. Cloning and characterization of a benzoic acid/salicylic acid carboxyl methyltransferase gene involved in floral scent production from lily (Lilium 'Yelloween').

    Science.gov (United States)

    Wang, H; Sun, M; Li, L L; Xie, X H; Zhang, Q X

    2015-01-01

    In lily flowers, the volatile ester methyl benzoate is one of the major and abundant floral scent compounds; however, knowledge regarding the biosynthesis of methyl benzoate remains unknown for Lilium. In this study, we isolated a benzoic acid/salicylic acid carboxyl methyltransferase (BSMT) gene, LiBSMT, from petals of Lilium 'Yelloween'. The gene has an open reading frame of 1083 base pairs (bp) and encodes a protein of 41.05 kDa. Sequence alignment and phylogenetic analyses of LiBSMT revealed 40-50% similarity with other known benzenoid carboxyl methyltransferases in other plant species, and revealed homology to BSMT of Oryza sativa. Heterologous expression of this gene in Escherichia coli yielded an enzyme responsible for catalyzing benzoic acid and salicylic acid to methyl benzoate and methyl salicylate, respectively. Quantitative real-time polymerase chain reaction analysis showed that LiBSMT was preferentially expressed in petals. Moreover, the expression of LiBSMT in petals was developmentally regulated. These expression patterns correlate well with the emission of methyl benzoate. Our results indicate that LiBSMT plays an important role in floral scent methyl benzoate production and emission in lily flowers. PMID:26600510

  4. Summer and winter variations of dicarboxylic acids, fatty acids and benzoic acid in PM2.5 in Pearl Delta River Region, China

    Directory of Open Access Journals (Sweden)

    K. Kawamura

    2010-11-01

    Full Text Available Ground-based PM2.5 samples collected in Pearl River Delta (PRD region during winter and summer (from 14 December 2006 to 28 January 2007 in winter and from 4 July 2007 to 9 August 2007 in summer were analyzed for 30 water-soluble organic species, including dicarboxylic acids, ketocarboxylic acids and dicarbonyls, nine fatty acids, and benzoic acid. Molecular distributions of dicarboxylic acids demonstrated that oxalic acid (C2 was the most abundant species followed by phthalic acid (Ph in PRD region. The concentrations of total dicarboxylic acids ranged from 99 to 1340 ng m−3, with an average of 438 ± 267 ng m−3 in PRD. The concentrations of total ketocarboxylic acids ranged from 0.6 to 207 ng m−3 (43 ± 48 ng m−3 on average while the concentrations of total α-dicarbonyls, including glyoxal and methylglyoxal, ranged from 0.2 to 89 ng m−3, with an average of 11 ± 18 ng m−3 in PRD. The total quantified water-soluble organic carbon (TQWOC accounted for 3.4 ± 2.2% of OC and 14.3 ± 10.3% of water-soluble OC (WSOC. Hexadecanoic acid (C16:0, octadecanoic acid (C18:0 and oleic acid (C18:1 are the three most abundant fatty acids in PRD. The distributions of fatty acids are characterized by a strong even carbon number predominance with a maximum (Cmax at hexadecanoic acid (C16:0. Ratio of C18:1 to C18:0 acts as an indicator for aerosol aging. In PRD, an average of C18:1/C18:0 ratio was 0.53 ± 0.39, suggesting an enhanced photochemical degradation of unsaturated fatty acid. Seasonal variations of the pollutant concentrations were found in the four sampling cities. Higher concentrations of TQWOC were observed in winter (544 ng m−3 than in summer (318 ng m−3. However, the abundances of TQWOC in OC mass were higher in summer (1.8–12.4%, 5.4% on average than in winter (1.1–5.7, 2.6% on average, being consistent with enhanced secondary production of dicarboxylic acids in warmer weather. Spatial variations of water-soluble dicarboxylic

  5. Comparison of salicylic acid, benzoic acid and p-hydroxybenzoic acid for their ability to induce flowering in Lemna Gibba G3

    International Nuclear Information System (INIS)

    The long-day plant Lemna gibba G3 fails to flower under continuous light on NH4+-free 0.5 H medium. This inhibition is completely reversed by 10 μM salicyclic acid (SA) or 32 μM benzoic acid (BA). By contrast, p-hydroxybenzoic acid (p-OH-BA) has virtually no effect on flowering at levels as high as 320 μM. Uptake rates for the three compounds are comparable. Competition studies using 14C-SA indicate that, compared to SA, BA is about 10-fold less effective and p-OH-BA is nearly 100-fold less effective in competing against 14C-SA uptake. Both the effectiveness of SA for inducing flowering and the uptake of 14C-SA are substantially increased as the pH of the medium is lowered from 8 to 4.5. Under a nitrogen atmosphere the uptake of 14C-SA is partially inhibited above pH 5. Phosphate metabolism may be important for flowering since increasing the phosphate level in the medium 10-15 fold results in substantial flowering, and suboptimal levels of Sa and phosphate interact synergistically to stimulate flowering. The interaction of phosphate with BA and p-OH-BA will be presented

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

    Science.gov (United States)

    Subhapriya, P.; Dhanapal, V.; Sadasivam, K.; Vijayanand, P. S.

    2016-05-01

    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.

  7. Preparation and Absorption Spectral Property of a Multifunctional Water-Soluble Azo Compound with D-π-A Structure, 4-(4- Hydroxy-1-Naphthylazo)Benzoic Acid

    Science.gov (United States)

    Hu, L.; Lv, H.; Xie, C. G.; Chang, W. G.; Yan, Z. Q.

    2015-07-01

    A multifunctional water-soluble azo dye with the D-π-A conjugated structure, 4-(4-hydroxy-1-naphthylazo) benzoic acid ( HNBA), was designed and synthesized using 1-naphanol as the electron donator, benzoic acid as the electron acceptor, and -N=N- as the bridging group. After its structure was characterized by FTIR, 1H NMR, and element analysis, the UV-Vis absorption spectral performance of the target dye was studied in detail. The results showed that the dye, combining hydroxyl group, azo group, and carboxyl group, possessed excellent absorption spectral properties (ɛ = 1.2·104 l·mol-1·cm-1) changing with pH and solvents. In particular, in polar and protonic water, it had excellent optical response to some metal ions, i.e., Fe3+ and Pb2+, which might make it a latent colorimetric sensor for detecting heavy metal ions.

  8. Quantification of centimeter-scale spatial variation in PAH, glucose and benzoic acid mineralization and soil organic matter in road-side soil

    International Nuclear Information System (INIS)

    The aim of the study was to determine centimeter-scale spatial variation in mineralization potential in diffusely polluted soil. To this end we employed a 96-well microplate method to measure the mineralization of 14C-labeled organic compounds in deep-well microplates and thereby compile mineralization curves for 348 soil samples of 0.2-cm3. Centimeter-scale spatial variation in organic matter and the mineralization of glucose, benzoic acid, and PAHs (phenanthrene and pyrene) was determined for urban road-side soil sampled as arrays (7 x 11 cm) of 96 subsamples. The spatial variation in mineralization was visualized by means of 2-D contour maps and quantified by means of semivariograms. The geostatistical analysis showed that the easily degradable compounds (glucose and benzoic acid) exhibited little spatial variation in mineralization potential, whereas the mineralization was highly heterogeneous for the PAH compounds that require specialized degraders. The spatial heterogeneity should be taken into account when estimating natural attenuation rates. - Highlights: → Geostatistics were applied at the centimeter scale. → Glucose and benzoic acid mineralization showed little spatial variation. → PAH mineralization was highly variable at the sub-centimeter scale. → High spatial heterogeneity may be caused by low functional redundancy. - This study supports the hypothesis that specialized xenobiotic degraders may show high spatial heterogeneity in soil due to low functional redundancy.

  9. Synthesis and Crystal Structure of 2-[(4-Methoxy- 6-methylthio-2-pyrimidinyl)aminocarbonyl-aminosulfonyl] Benzoic Acid Methyl Ester

    Institute of Scientific and Technical Information of China (English)

    黄明智; 王晓光; 毛春晖; 黄路; 宋海斌

    2004-01-01

    The title compound 2-[(4-methoxy-6-methylthio-2-pyrimidinyl)aminocarbonyl-aminosulfonyl]benzoic acid methyl ester (C15H16N4O6S2,Mr = 412.44) was obtained by the reaction of (4-methoxy-6-methylthio-2-pyrimidinyl)amine with 2-methoxylcarbonylbenzene-sulfonylisocya-nate.The crystal is of monoclinic,space group P21/c with a =11.169(3),b = 9.508(3),c = 17.690(5)(A),β = 91.593(5)o,Z = 4,V = 1877.9(10)(A)3,Dc = 1.459 g/cm3,F(000) = 856,μ(MoKα) = 0.324 mm-1,R = 0.0690 and Wr = 0.1368 for 3301 observed reflections (I > 2((I)).The N(1)-H…N(3) and N(2)-H…O(4) hydrogen bonds can be observed.In the molecule the phenyl plane(I),pyrimi-din-2-yl-urea bridge plane(Ⅱ) and ester plane(Ⅲ) form three conjugated systems.

  10. Synthesis and spectrophotometric studies of charge transfer complexes of p-nitroaniline with benzoic acid in different polar solvents

    Science.gov (United States)

    Singh, Neeti; Ahmad, Afaq

    2014-09-01

    The charge transfer complexes of the donor p-nitroaniline (PNA) with the π-acceptor benzoic acid (BEA) have been studied spectrophotometrically in various solvents such as acetone, ethanol, and methanol at room temperature using an absorption spectrophotometer. The outcome suggests that the formation of the CT-complex is comparatively high in less polar solvent. The stoichiometry of the CT-complex was found to be 1:1. The physical parameters of the CT-complex were evaluated by the Benesi-Hildebrand equation. The data are discussed in terms of the formation constant (KCT), molar extinction coefficient (ɛCT), Standard Gibbs free energy (ΔG0), oscillator strength (f), transition dipole moment (μEN), resonance energy (RN) and ionization potential (ID). The formation constant (KCT) of the complex was depends upon the nature of electron acceptor, donor, and polarity of solvents used. It is also observed that a charge transfer molecular complex is stabilized by hydrogen bonding. The formation of the complex has been confirmed by UV-visible, FT-IR, 1H NMR and TGA/DTA. The structure of the CT-complex is [(PNA)+ (BEA)-]. A general mechanism for its formation of the complex has also been proposed.

  11. Thioureides of 2-(phenoxymethyl)benzoic acid 4-R substituted: a novel class of anti-parasitic compounds.

    Science.gov (United States)

    Müller, Joachim; Limban, Carmen; Stadelmann, Britta; Missir, Alexandru Vasile; Chirita, Ileana Cornelia; Chifiriuc, Mariana Carmen; Nitulescu, George Mihai; Hemphill, Andrew

    2009-06-01

    Fifty members of a novel class of antimicrobial compounds, 2-(4-R-phenoxymethyl)benzoic acid thioureides, were synthesized and characterized with respect to their activities against three parasites of human relevance, namely the protozoa Giardia lamblia and Toxoplasma gondii, and the larval (metacestode) stage of the tapeworm Echinococcus multilocularis. To determine the selective toxicity of these compounds, the human colon cancer cell line Caco2 and primary cultures of human foreskin fibroblasts (HFF) were also investigated. The new thioureides were obtained in a three-step-reaction process and subsequently characterized by their physical constants (melting point, solubility). The chemical structures were elucidated by (1)H NMR, (13)C NMR, IR spectral methods and elemental analysis. The analyses confirmed the final and intermediate compound structures and the synthesis. The compounds were then tested on the parasites in vitro. All thioureides, except two compounds with a nitro group, were totally ineffective against Giardia lamblia. 23 compounds inhibited the proliferation of T. gondii, three of them with an IC(50) of approximately 1 microM. The structural integrity of E. multilocularis metacestodes was affected by 22 compounds. In contrast, HFF were not susceptible to any of these thioureides, while Caco2 cells were affected by 17 compounds, two of them inhibiting proliferation with an IC(50) in the micromolar range. Thioureides may thus present a promising class of anti-infective agents. PMID:19162220

  12. Identification and biological activity of 6-alkyl-substituted 3-methyl-pyridine-2-carbonyl amino dimethyl-benzoic acid EP4 antagonists.

    Science.gov (United States)

    Blanco, Maria-Jesus; Vetman, Tatiana; Chandrasekhar, Srinivasan; Fisher, Matthew J; Harvey, Anita; Kuklish, Steven L; Chambers, Mark; Lin, Chaohua; Mudra, Daniel; Oskins, Jennifer; Wang, Xu-Shan; Yu, Xiao-Peng; Warshawsky, Alan M

    2016-05-01

    Continued SAR optimization of a series of 3-methylpyridine-2-carbonyl amino-2,4-dimethyl-benzoic acid led to the selection of compound 4f for clinical studies. Compound 4f showed an IC50 of 123nM for inhibition of PGE2-induced TNFα reduction in an ex vivo LPS-stimulated human whole blood assay (showing >10-fold increase over clinical compound CJ-023,423). Pharmacokinetic profile, selectivity and in vivo efficacy comparing 4f to NSAID diclofenac in the monoiodoacetic acid (MIA) pain model and adjuvant induced arthritis (AIA) inflammatory model are included. PMID:27020304

  13. A study of thin film solid phase microextraction methods for analysis of fluorinated benzoic acids in seawater.

    Science.gov (United States)

    Boyacı, Ezel; Goryński, Krzysztof; Viteri, C Ricardo; Pawliszyn, Janusz

    2016-03-01

    Fluorinated benzoic acids (FBAs) are frequently used as tracers by the oil industry to characterize petroleum reservoirs. The demand for fast, reliable, robust, and sensitive approaches to separate and quantify FBAs in produced water, both in laboratory and field conditions, has not been yet fully satisfied. In this study, for the first time, thin film solid phase microextraction (TF-SPME) is proposed as a versatile sample preparation tool for the determination of FBAs in produced water by pursing two different approaches. First, an automated high throughput TF-SPME method using solvent desorption for fast and simultaneous preparation of multiple samples prior to liquid chromatographic separation and high resolution mass spectrometric detection (LC-MS) of FBAs was demonstrated for routine laboratory analysis. This method was optimized in terms of extraction phase chemistry, sample pH and ionic strength, extraction/desorption times using two representative FBAs (4-FBA and 2,3,4,5-tetra FBA). It incorporates a relatively simple sample pretreatment involving pH adjustment prior to the TF-SPME, and obtained limits of quantification (LOQ) are at the 1.0ngmL(-1) level. Second, the applicability of TF-SPME for fast mass spectrometric (MS) determination of FBAs with omission of derivatization and gas chromatographic (GC) separation was proven. This second method consists of manual extractions of analytes from seawater samples with a thermally stable TF-SPME membrane and direct thermal desorption of the extracted FBAs to a MS via a thermal desorption unit (TDU). It was demonstrated that the TF-SPME extracts and thermally releases analytes quantitatively and with good reproducibility. This approach opens up the possibility for on-site measurements with portable analyzers. PMID:26860049

  14. 3-[4-(Acetamido)­benzene­sulfonamido]­benzoic acid

    OpenAIRE

    Muhammad Shafiq; Muhammad Zia-ur-Rehman; Islam Ullah Khan; Ghulam Mustafa; Sidra Muzaffar Mirza

    2010-01-01

    In the title compound, C15H14N2O5S, the dihedral angle between the aromatic rings is 63.20 (11) Å. The crystal structure displays classical intermolecular O—H...O hydrogen bonding typical for carboxylic acids, forming centrosymmetric dimers. These dimers are further connected by N—H...O and C—H...O hydrogen bonds to form an extended network.

  15. 3-[4-(Acetamido)­benzene­sulfonamido]­benzoic acid

    Science.gov (United States)

    Mirza, Sidra Muzaffar; Mustafa, Ghulam; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Shafiq, Muhammad

    2011-01-01

    In the title compound, C15H14N2O5S, the dihedral angle between the aromatic rings is 63.20 (11) Å. The crystal structure displays classical inter­molecular O—H⋯O hydrogen bonding typical for carb­oxy­lic acids, forming centrosymmetric dimers. These dimers are further connected by N—H⋯O and C—H⋯O hydrogen bonds to form an extended network. PMID:21522739

  16. 4-(4-Bromo­benzene­sulfonamido)benzoic acid

    OpenAIRE

    Islam Ullah Khan; Shahzad Sharif; Muhammad Shafiq; Muhammad Nadeem Arshad; Ghulam Mustafa

    2009-01-01

    The title compound, C13H10BrNO4S, belongs to the sulfonamide class of organic compounds. The two aromatic rings are inclined at 34.30 (15)° to one another, and the carboxyl substituent lies in the plane of the benzene ring to which it is bound (maximum deviation = 0.004 Å). In the crystal structure, charactersitic carboxylic acid dimers are formed through O—H...O hydrogen bonds. These dimers are linked into rows down a by N—H...O inter...

  17. 2-(Acet­oxy­meth­yl)benzoic acid

    OpenAIRE

    Gainsford, Graeme J.; Schwörer, Ralf

    2013-01-01

    The title compound, C10H10O4, crystallizes with the well-known carb­oxy­lic acid dimer-forming R 2 2(8) hydrogen-bond motif. Chains approximately parallel to (-1-12) are then built through C(methyl­ene,phen­yl)–H⋯O(carbon­yl) inter­actions [C(6) and C(8) motifs] with one (meth­yl)C—H⋯π inter­action providing inter­planar binding. The weakness of the latter inter­action is consistent with the difficulty experienced in obtaining suitable single crystals.

  18. 4-(4-Bromo­benzene­sulfonamido)benzoic acid

    Science.gov (United States)

    Khan, Islam Ullah; Mustafa, Ghulam; Arshad, Muhammad Nadeem; Shafiq, Muhammad; Sharif, Shahzad

    2009-01-01

    The title compound, C13H10BrNO4S, belongs to the sulfonamide class of organic compounds. The two aromatic rings are inclined at 34.30 (15)° to one another, and the carboxyl substituent lies in the plane of the benzene ring to which it is bound (maximum deviation = 0.004 Å). In the crystal structure, charactersitic carboxylic acid dimers are formed through O—H⋯O hydrogen bonds. These dimers are linked into rows down a by N—H⋯O inter­actions. Additional C—H⋯O contacts further stabilize the structure, and a close Br⋯Br(x, −y + 1, −z + 1) contact of 3.5199 (9) Å is also observed. PMID:21583888

  19. Crystal structure of 2-(4-chloro-benzamido)-benzoic acid.

    Science.gov (United States)

    Moreno-Fuquen, Rodolfo; Melo, Vanessa; Ellena, Javier

    2015-11-01

    In the title mol-ecule, C14H10ClNO3, the amide C=O bond is anti to the o-carb-oxy substituent in the adjacent benzene ring, a conformation that facilitates the formation of an intra-molecular amide-N-H⋯O(carbon-yl) hydrogen bond that closes an S(6) loop. The central amide segment is twisted away from the carb-oxy- and chloro-substituted benzene rings by 13.93 (17) and 15.26 (15)°, respectively. The most prominent supra-molecular inter-actions in the crystal packing are carb-oxy-lic acid-H⋯O(carbox-yl) hydrogen bonds that lead to centrosymmetric dimeric aggregates connected by eight-membered {⋯HOC=O}2 synthons. PMID:26594563

  20. Crystal structure of 4-benzamido-2-hy­droxy­benzoic acid

    OpenAIRE

    Shahid, Muhammad; CHOUDHARY, Muhammad Aziz; Butt, Arshad Farooq; Tahir, Muhammad Nawaz; SALIM, MUHAMMAD

    2015-01-01

    In the title compound, C14H11NO4, the dihedral angle between the mean planes of the aromatic rings is 3.96 (12)° and an intra­molecular O—H⋯O hydrogen bond closes an S(6) ring. A short intra­molecular C—H⋯O contact is also seen. In the crystal, carb­oxy­lic acid inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R 2 2(8) loops. Conversely, the N—H group does not form a hydrogen bond. Aromatic π–π inter­actions exist at a centroid–centroid distance of 3.8423 (15) Å between the b...

  1. 4-氨基苯甲酸的合成工艺研究%Synthesis techniques of 4-amino benzoic acid

    Institute of Scientific and Technical Information of China (English)

    周石洋; 陈玲; 冯豫川

    2013-01-01

    以苯胺为原料,经酰基化、溴仿两步反应合成得到了目标产物,并采用IR、1HNMR和13CNMR对产物结构进行了表征.探讨了酰基化反应时催化剂AlCl3用量、反应温度及反应时间对4-氨基苯乙酮产率的影响,以及溴仿反应中反应温度、反应时间和滴加4-氨基苯乙酮速率对产物产率的影响.在最佳合成条件下,标题化合物的产率可达94.0%.本合成方法降低了工艺要求,减少合成步骤,提高了产率.%With aniline as raw material,through acylation,bromoform reactions,the target compound 4-amino benzoic acid was synthesized and confirmed by IR,1HNMR and 13CNMR.In the acylation reaction,the influence of dosage of catalyst AlCl3,reaction temperature and reaction time on the yield of intermediate 4-amino acetophenone was investigated.In the iodoformation reaction,the influence of reaction temperature,reaction time and adding rate of 4-amino acetophenone on the yield of 4-amino benzoic acid was investigated.Under the optimal conditions,the yield of 4-amino benzoic acid was 94.0%.This synthetic method has reduced process requirement and synthetic steps to improve the yield.

  2. 4-氨基苯甲酸的合成工艺研究%Study on the synthesis of 4-amino benzoic acid

    Institute of Scientific and Technical Information of China (English)

    周石洋; 陈玲; 冯豫川

    2013-01-01

    以苯胺为原料,经酰基化、碘仿两步反应合成得到了目标产物4-氨基苯甲酸,并采用IR、1H NMR和13C NMR对产物结构进行了表征.探讨了酰基化反应时催化剂AlCl3用量、反应温度和反应时间对4-氨基苯乙酮产率的影响,以及碘仿反应中反应温度、反应时间和滴加4-氨基苯乙酮速率对产物产率的影响.在最佳合成条件下,4-氨基苯甲酸的产率可达94.0%.%The target compound 4-amino benzoic acid was synthesized through acylation and iodoformation reactions with aniline as raw material.It was characterized by IR,1 H NMR and 13C NMR techniques.The influences of dosage of catalyst AlCl3,reaction temperature and reaction time on the yield of intermediate 4-amino acetophenone were investigated in the acylation reaction.The effects of reaction temperature,reaction time and dropwise rate of 4-amino acetophenone on the yield of 4-amino benzoic acid were studied in the iodoformation reaction process.The yield of 4-amino benzoic acid was 94.0% under the optimal conditions.

  3. Synthesis, Biological, and Quantum Chemical Studies of Zn(II) and Ni(II) Mixed-Ligand Complexes Derived from N,N-Disubstituted Dithiocarbamate and Benzoic Acid

    OpenAIRE

    Anthony C. Ekennia; Damian C. Onwudiwe; Aderoju A Osowole; Olasunkanmi, Lukman O.; Eno E. Ebenso

    2016-01-01

    Some mixed-ligand complexes of Zn(II) and Ni(II) derived from the sodium salt of N-alkyl-N-phenyl dithiocarbamate and benzoic acid have been prepared. The complexes are represented as ZnMDBz, ZnEDBz, NiMDBz, and NiEDBz (MD: N-methyl-N-phenyl dithiocarbamate, ED: N-ethyl-N-phenyl dithiocarbamate, and Bz: benzoate); and their coordination behavior was characterized on the basis of elemental analyses, IR, electronic spectra, magnetic and conductivity measurements, and quantum chemical calculatio...

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

    Directory of Open Access Journals (Sweden)

    Haimin Lei

    2013-10-01

    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.

  5. Manganese [III] Tetrakis [5,10,15,20]-Benzoic Acid Porphyrin Reduces Adiposity and Improves Insulin Action in Mice with Pre-Existing Obesity

    OpenAIRE

    Brestoff, Jonathan R.; Tim Brodsky; Sosinsky, Alexandra Z.; Ryan McLoughlin; Elena Stansky; Leila Fussell; Aaron Sheppard; Maria DiSanto-Rose; Kershaw, Erin E.; Reynolds, Thomas H.

    2015-01-01

    The superoxide dismutase mimetic manganese [III] tetrakis [5,10,15,20]-benzoic acid porphyrin (MnTBAP) is a potent antioxidant compound that has been shown to limit weight gain during short-term high fat feeding without preventing insulin resistance. However, whether MnTBAP has therapeutic potential to treat pre-existing obesity and insulin resistance remains unknown. To investigate this, mice were treated with MnTBAP or vehicle during the last five weeks of a 24-week high fat diet (HFD) regi...

  6. Application of chitosan functionalized with 3,4-dihydroxy benzoic acid moiety for on-line preconcentration and determination of trace elements in water samples

    OpenAIRE

    Sabarudin, Akhmad; Noguchi, Osamu; Oshima, Mitsuko; Higuchi, Keiro; Motomizu, Shoji

    2007-01-01

    Chitosan resin functionalized with 3,4-dihydroxy benzoic acid (CCTS-DHBA resin) was used as a packing material for flow injection (FI) on-line mini-column preconcentration in combination with inductively coupled plasma-atomic emission spectrometry (ICP-AES) for the determination of trace elements such as silver, bismuth, copper, gallium, indium, molybdenum, nickel, uranium, and vanadium in environmental waters. A 5-mL aliquot of sample (pH 5.5) was introduced to the minicolumn for the adsorpt...

  7. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    International Nuclear Information System (INIS)

    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, [Cu0.5L]n (1), [Cu(HL)2Cl2]n (2), [Cu(HL)2Cl2(H2O)] (3), [Cu(L)2(H2O)]n (4) and [Cu(L)(phen)(HCO2)]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-, 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

  8. 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.

    Science.gov (United States)

    Aresta, Antonella; Zambonin, Carlo

    2016-03-20

    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. PMID:26775020

  9. Characterization of inhibitory effects of the potential therapeutic inhibitors, benzoic acid and pyridine derivatives, on the monophenolase and diphenolase activities of tyrosinase

    Directory of Open Access Journals (Sweden)

    Nematollah Gheibi

    2015-02-01

    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.

  10. D77, one benzoic acid derivative, functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75

    International Nuclear Information System (INIS)

    Integration of viral-DNA into host chromosome mediated by the viral protein HIV-1 integrase (IN) is an essential step in the HIV-1 life cycle. In this process, Lens epithelium-derived growth factor (LEDGF/p75) is discovered to function as a cellular co-factor for integration. Since LEDGF/p75 plays an important role in HIV integration, disruption of the LEDGF/p75 interaction with IN has provided a special interest for anti-HIV agent discovery. In this work, we reported that a benzoic acid derivative, 4-[(5-bromo-4-{[2,4-dioxo-3-(2-oxo-2-phenylethyl) -1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid (D77) could potently inhibit the IN-LEDGF/p75 interaction and affect the HIV-1 IN nuclear distribution thus exhibiting antiretroviral activity. Molecular docking with site-directed mutagenesis analysis and surface plasmon resonance (SPR) binding assays has clarified possible binding mode of D77 against HIV-1 integrase. As the firstly discovered small molecular compound targeting HIV-1 integrase interaction with LEDGF/p75, D77 might supply useful structural information for further anti-HIV agent discovery

  11. Separation of oxygen isotopic benzoic acids by capillary zone electrophoresis based on isotope effects on the dissociation of the carboxyl group

    International Nuclear Information System (INIS)

    Oxygen isotopic benzoic acids are chosen as examples of closely related compounds for the study of ultrahigh-resolution separation by capillary zone electrophoresis (CZE). Optimum conditions for the separation of acids having slightly different dissociation constants are theoretically discussed on the basis of the resolution equation in CZE. The effects of the following factors on the resolution have been experimentally investigated: applied voltages, capillary tube lengths, pH of the buffers, and electroosmotic velocities. Three isotopic acids, C6H5C16O2H, C6H5C16O18OH, and C6H5C18O2H, have been successfully separated in 100 min under the optimum conditions

  12. Dicarboxylic acids, ketocarboxylic acids, α-dicarbonyls, fatty acids and benzoic acid in PM2.5 aerosol collected during CAREBeijing-2007: an effect of traffic restriction on air quality

    Directory of Open Access Journals (Sweden)

    K. F. Ho

    2014-06-01

    Full Text Available Thirty water-soluble organic species, including dicarboxylic acids, ketocarboxylic acids, α-dicarbonyls, fatty acids, and benzoic acid were determined as well as organic carbon (OC, elemental carbon (EC and water-soluble organic carbon (WSOC in PM2.5 samples collected during the Campaign of Air Quality Research in Beijing 2007 (CAREBeijing-2007 in the urban and suburban areas of Beijing. The objective of this study is to identify the influence of traffic emissions and regional transport to the atmosphere in Beijing during summer. PM2.5 samples collected with or without traffic restriction in Beijing are selected to evaluate the effectiveness of local traffic restriction measure on air pollution reduction. The average concentrations of the total quantified bifunctional organic compounds (TQBOC, total fatty acids and benzoic acid during the entire sampling period were 1184 ± 241 ng m−3, 597 ± 159 ng m−3 and 1496 ± 511ng m−3 in PKU, and 1050 ± 303 ng m−3, 475 ± 114 ng m−3 and 1278 ± 372 ng m−3 in Yufa. Oxalic acid (C2 was found as the most abundant dicarboxylic acid at PKU and Yufa, followed by phthalic acid (Ph. A strong even carbon number predominance with the highest level at palmitic acid (C16:0, followed by stearic acid (C18:0 was found for fatty acids. According to the back trajectories modeling results, the air masses were found to originate mainly from northeast, passing over southeast or south of Beijing (heavily populated, urbanized and industrialized areas, during heavier pollution events, whereas they are mainly from north or northwest sector (mountain areas without serious anthropogenic pollution sources during cleaner events. The data with wind only from the same sector (minimizing the difference from regional contribution but with and without traffic restriction in Beijing were analyzed to evaluate the effectiveness of local traffic restriction measure on the reduction of local air pollution in Beijing. The results

  13. Crystal structure of a new benzoic acid inhibitor of influenza neuraminidase bound with a new tilt induced by overpacking subsite C6

    Directory of Open Access Journals (Sweden)

    Venkatramani Lalitha

    2012-05-01

    Full Text Available Abstract Background Influenza neuraminidase (NA is an important target for antiviral inhibitors since its active site is highly conserved such that inhibitors can be cross-reactive against multiple types and subtypes of influenza. Here, we discuss the crystal structure of neuraminidase subtype N9 complexed with a new benzoic acid based inhibitor (2 that was designed to add contacts by overpacking one side of the active site pocket. Inhibitor 2 uses benzoic acid to mimic the pyranose ring, a bis-(hydroxymethyl-substituted 2-pyrrolidinone ring in place of the N-acetyl group of the sialic acid, and a branched aliphatic structure to fill the sialic acid C6 subsite. Results Inhibitor 2 {4-[2,2-bis(hydroxymethyl-5-oxo-pyrrolidin-1-yl]-3-[(dipropylaminomethyl]benzoic acid} was soaked into crystals of neuraminidase of A/tern/Australia/G70c/75 (N9, and the structure refined with 1.55 Å X-ray data. The benzene ring of the inhibitor tilted 8.9° compared to the previous compound (1, and the number of contacts, including hydrogen bonds, increased. However, the IC50 for compound 2 remained in the low micromolar range, likely because one propyl group was disordered. In this high-resolution structure of NA isolated from virus grown in chicken eggs, we found electron density for additional sugar units on the N-linked glycans compared to previous neuraminidase structures. In particular, seven mannoses and two N-acetylglucosamines are visible in the glycan attached to Asn200. This long, branched high-mannose glycan makes significant contacts with the neighboring subunit. Conclusions We designed inhibitor 2 with an extended substituent at C4-corresponding to C6 of sialic acid-to increase the contact surface in the C6-subsite and to force the benzene ring to tilt to maximize these interactions while retaining the interactions of the carboxylate and the pyrolidinone substituents. The crystal structure at 1.55 Å showed that we partially succeeded in that the

  14. Synthesis and phase behavior of dendrons derived from 3,4,5-tris(tetradecyloxy)benzoic acid with different functional groups in focal point

    Indian Academy of Sciences (India)

    Matvey Gruzdev; Ulyana Chervonova; Olga Akopova; Arkadiy Kolker

    2015-10-01

    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.

  15. Simultaneous Determination of Benzoic Acid and Salicylic Acid in Compound Benz oic Acid Ointment by K-Factor UV Spectrophotometry%系数倍率紫外光谱法同时测定复方苯甲酸软膏中的苯甲酸和水杨酸的研究

    Institute of Scientific and Technical Information of China (English)

    吴咏梅; 叶芝祥; 蔡铎昌

    2001-01-01

    本文用系数倍率紫外光谱法同时测定了复方苯甲酸软膏中苯甲酸和水杨酸的含量,取得了满意的结果,苯甲酸测定回收率为99.33%—101.80%,水杨酸测定回收率为100.92%—105.46%。%The contents of benzoic acid and salicylic acid in compound benzoic acid ointment were simultaneously determined by K-factor UV spectrophotometry. The resu lt is satisfactory. The recoveries of benzoic acid and salicylic acid are in the range of 99.33%—101.80% and 100.92%—105.46%,respectively.

  16. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    Energy Technology Data Exchange (ETDEWEB)

    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: 7213792@qq.com [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: sanpingchen@126.com [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)

    2014-07-01

    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.

  17. Photoinduced intramolecular charge-transfer reactions in 4-amino-3-methyl benzoic acid methyl ester: A fluorescence study in condensedphase and jet-cooled molecular beams

    Indian Academy of Sciences (India)

    Amrita Chakraborty; Samiran Kar; D N Nath; Nikhil Guchhait

    2007-03-01

    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.

  18. 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

    Institute of Scientific and Technical Information of China (English)

    沈琦; 胡晋红; 徐莲英

    2001-01-01

    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。

  19. Percutaneous absorption of nicotinic acid, phenol, benzoic acid and triclopyr butoxyethyl ester through rat and human skin in vitro: further validation of an in vitro model by comparison with in vivo data.

    Science.gov (United States)

    Hotchkiss, S A; Hewitt, P; Caldwell, J; Chen, W L; Rowe, R R

    1992-10-01

    The in vitro percutaneous absorption of three model compounds, nicotinic acid, phenol and benzoic acid, and the herbicide triclopyr butoxyethyl ester (triclopyr BEE) has been investigated in flow-through diffusion cells using skin from male Fischer 344 rats and humans. After the application of the four chemicals to the epidermal surface of unoccluded full-thickness rat skin, the absorption of each compound across the skin and into the receptor fluid at 72 hr reached 3.7 +/- 0.3, 5.7 +/- 0.6, 26.7 +/- 3.7 and 48.3 +/- 1.2% (mean +/- SD, n = 2-7) of the applied dose for triclopyr BEE, nicotinic acid, phenol and benzoic acid, respectively. After the application of the four chemicals to the epidermal surface of unoccluded full-thickness human skin, the absorption of each compound across the skin and into the receptor fluid at 72 hr was significantly (P triclopyr BEE, nicotinic acid, phenol and benzoic acid, respectively. Occlusion of the skin surface with teflon caps often significantly (P < 0.05) enhanced the percutaneous absorption of the model compounds, although this effect was not uniform, varying with the compound under study and the skin (rat or human) used. When rat skin was occluded with teflon caps, the extent of absorption at 72 hr reached 8.6 +/- 0.8, 36.2 +/- 1.7 and 51.8 +/- 3.3% (mean +/- SD, n = 3-4) for nicotinic acid, phenol and benzoic acid, respectively. Corresponding values for human skin occluded with teflon caps were 3.3 +/- 1.6, 47.1 +/- 0.5 and 65.5 +/- 7.1% (mean +/- SD, n = 3-4). The experiments on the absorption of each model compound through rat and human skin were repeated and there was generally good agreement between the results from the two sets of experiments. The in vitro data reported compare favourably with data obtained by other workers using both in vitro and in vivo methodologies. The in vitro: in vivo correlation supports the use of the flow-through diffusion cell system as a model for the prediction of percutaneous absorption

  20. Absorption mechanism study of benzoic acid on calcite. Influence on the wettability; Etude du mecanisme d`absorption de l`acide benzoique sur la calcite. Incidence sur la mouillabilite

    Energy Technology Data Exchange (ETDEWEB)

    Legens, Ch.

    1997-12-03

    A pure carbonate rock is strongly water-wet whereas oil accumulations study shows that most of carbonate reservoirs are oil-wet or of mixed-wettability. This is one of the main difficulties to extract crude oil. This change of behavior is due to the adsorption of some crude oil compounds on the mineral surface. We have mainly studied the interactions between acid molecules by adsorption on a calcite powder in an organic phase (benzoic acid and lauric acid) and in an aqueous phase (benzoic acid and lauric sodium salt). The technics which enabled us to define and characterize adsorption are thermogravimetry infrared diffuse reflection and thermal analysis with controlled kinetic linked to a mass spectrometer. Molecular modelling calculations have completed these analysis. It has been showed that when crude oil fills the biggest pores of the reservoir rock, the aqueous film is unstable and acids adsorb via ionic bonds on mineral calcium ions. Wettability is evaluated thanks to contact angle measurements of a water droplet deposited on a compacted powder pellet. Calcite wettability changes were all the greater as hydro-carbonated chains were longer, as it confers molecule hydrophobia. It has been also investigated acid molecules diffusion from the organic to the aqueous phase which saturates the smallest pores. Molecules which are able to diffuse from the first to the second medium do not adsorb on the surface. As a consequence, carbonate rock wettability changes require a direct contact between crude oil and mineral that involves aqueous film instability. (author) 128 refs.

  1. EFFECT OF SUBSTITUTION POSITION OF HYDROXY GROUP AT BENZOIC ACID ON THE LUMINESCENT AND DEGRADATION PROPERTIES OF POLY[DI(CARBOXYPHENYL) SUCCINATE-co-SEBACIC ANHYDRIDE]S

    Institute of Scientific and Technical Information of China (English)

    Jun Fan; Hong-liang Jiang; Kang-jie Zhu

    2007-01-01

    In this work, two new diacids, di(m-carboxyphenyl) succinate (m-dCPS) and di(o-carboxyphenyl) succinate (o-dCPS), were synthesized by reaction of m-, o-hydroxy benzoic acid with succinic chloride, respectively. Their corresponding copolymers with sebacic acid (SA), P(m-dCPS:SA) and P(o-dCPS:SA), were prepared by melt copolycondensation and characterized by NMR, UV and DSC methods. Compared with inherently fluorescent poly[di(p-carboxyphenyl) succinateco-sebacic anhydride] (P(p-dCPS:SA)), P(m-dCPS:SA) and P(o-dCPS:SA) displayed different luminescent properties. P(m-dCPS:SA) could emit fluorescence under the excitation of both visible and UV light, while P(o-dCPS:SA) could only emit fluorescence when excited with UV light. Degradation rate of the two new copolyanhydrides increased with the increase of SA fraction in the copolymers. In addition, P(o-dCPS:SA) degraded more rapidly than P(m-dCPS:SA) with the same composition. Typical surface-degradation characteristics of these copolyanhydrides were observed.

  2. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    Science.gov (United States)

    Xiong, Pingping; Li, Jie; Bu, Huaiyu; Wei, Qing; Zhang, Ruolin; Chen, Sanping

    2014-07-01

    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, [Cu0.5L]n (1), [Cu(HL)2Cl2]n (2), [Cu(HL)2Cl2(H2O)] (3), [Cu(L)2(H2O)]n (4) and [Cu(L)(phen)(HCO2)]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-, 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.

  3. Synthesis of 5-aryl-$N$-(trichloroacetyl)-1,3,4-oxadiazole-2-carboxamide via three-component reaction of trichloroacetyl isocyanate, ($N$-isocyanimino)triphenylphosphorane, and benzoic acid derivatives

    OpenAIRE

    SHAJARI, NAHID; KAZEMIZADEH, ALI REZA; Ramazani, Ali

    2015-01-01

    The three-component reaction of benzoic acid derivatives, ($N$-isocyanimino)triphenylphosphorane, and trichloroacetyl isocyanate in a 1:1:1 ratio in CH$_{3}$CN occurred at room temperature, and the 5-aryl-$N$-(trichloroacetyl)-1,3,4-oxadiazole-2-carboxamide derivatives produced were formed in high yields. The reaction proceeded smoothly and cleanly under mild reaction conditions and no side reactions were observed. The structures of the products were confirmed by IR, $^{1}$H NMR, $^{13}$C NMR...

  4. Synthesis, Biological, and Quantum Chemical Studies of Zn(II and Ni(II Mixed-Ligand Complexes Derived from N,N-Disubstituted Dithiocarbamate and Benzoic Acid

    Directory of Open Access Journals (Sweden)

    Anthony C. Ekennia

    2016-01-01

    Full Text Available Some mixed-ligand complexes of Zn(II and Ni(II derived from the sodium salt of N-alkyl-N-phenyl dithiocarbamate and benzoic acid have been prepared. The complexes are represented as ZnMDBz, ZnEDBz, NiMDBz, and NiEDBz (MD: N-methyl-N-phenyl dithiocarbamate, ED: N-ethyl-N-phenyl dithiocarbamate, and Bz: benzoate; and their coordination behavior was characterized on the basis of elemental analyses, IR, electronic spectra, magnetic and conductivity measurements, and quantum chemical calculations. The magnetic moment measurement and electronic spectra were in agreement with the four proposed coordinate geometries for nickel and zinc complexes and were corroborated by the theoretical quantum chemical calculations. The quantum chemically derived thermodynamics parameters revealed that the formation of N-methyl-N-phenyl dithiocarbamate complexes is more thermodynamically favourable than that of the N-ethyl-N-phenyl dithiocarbamate complexes. The bioefficacy of the mixed-ligand complexes examined against different microbes showed moderate to high activity against the test microbes. The anti-inflammatory and antioxidant studies of the metal complexes showed that the ethyl substituted dithiocarbamate complexes exhibited better anti-inflammatory and antioxidant properties than the methyl substituted dithiocarbamate complexes.

  5. Nonlinear optical studies on 4-(ferrocenylmethylimino)-2-hydroxy-benzoic acid thin films deposited by matrix-assisted pulsed laser evaporation (MAPLE)

    Science.gov (United States)

    Matei, Andreea; Marinescu, Maria; Constantinescu, Catalin; Ion, Valentin; Mitu, Bogdana; Ionita, Iulian; Dinescu, Maria; Emandi, Ana

    2016-06-01

    We present results on a new, laboratory synthesized ferrocene-derivative, i.e. 4-(ferrocenylmethylimino)-2-hydroxy-benzoic acid. Thin films with controlled thickness are deposited by matrix-assisted pulsed laser evaporation (MAPLE), on quartz and silicon substrates, with the aim of evaluating the nonlinear optical properties for potential optoelectronic applications. Dimethyl sulfoxide was used as matrix, with 1% wt. concentration of the guest compound. The frozen target is irradiated by using a Nd:YAG laser (4ω/266 nm, 7 ns pulse duration, 10 Hz repetition rate), at low fluences ranging from 0.1 to 1 J/cm2. Atomic force microscopy (AFM) and scanning electron microscopy (SEM) are used to probe the surface morphology of the films. Fourier transform infrared (FTIR) and Raman spectroscopy reveal similar structure of the thin film material when compared to the starting material. The optical properties of the thin films are investigated by spectroscopic-ellipsometry (SE), and the refractive index dependence with respect to temperature is studied. The second harmonic generation (SHG) potential is assessed by using a femtosecond Ti:sapphire laser (800 nm, 60-100 fs pulse duration, 80 MHz repetition rate), at 200 mW maximum output power, revealing that the SHG signal intensity is strongly influenced by the films' thickness.

  6. Synthesis and Crystal Structure of a Manganese(Ⅱ) Complex with 2-(4'-Chlorine-benzoyl)-benzoic Acid and 1,10-Phenanthroline

    Institute of Scientific and Technical Information of China (English)

    WANG Qing-Wei; LI Xiu-Mei; MENG Qing-Long; LIU Bo; GAO Guang-Gang

    2009-01-01

    A new metal-organic complex Mn2(cbba)4(phen)2 (Hcbba = 2-(4'-chlorine-benzoyl)-benzoic acid, phen = 1,10-phenanthroline) 1 has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The compound crystallizes in orthorhombic, space group Pbcn with a = 12.154(5), b = 18.166(7), c =31.197(13) (A°), V = 6887(5) (A°)3, C80H48C14Mn2N4O12, Mr= 1508.90, Dc = 1.455 g/cm3, μ(MoKa) =0.591 mm-1, F(000) = 3080, Z = 4, the final R = 0.0408 and wR = 0.0873 for 4033 observed reflections (I > 2σ(I)). In the crystal structure, the manganese atom is six-coordinated with four carboxylate oxygen atoms from three different cbba ligands and two nitrogen atoms from phen ligands, showing a distorted octahedral geometry. Furthermore, it exhibits a 3D supramolecular network through π-π interactions.

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

    Science.gov (United States)

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

    2016-09-01

    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.

  8. In-capillary derivatization with o-phthalaldehyde in the presence of 3-mercaptopropionic acid for the simultaneous determination of monosodium glutamate, benzoic acid, and sorbic acid in food samples via capillary electrophoresis with ultraviolet detection.

    Science.gov (United States)

    Aung, Hnin-Pwint; Pyell, Ute

    2016-06-01

    For the rapid simultaneous determination of monosodium glutamate (MSG), benzoic acid (BA), and sorbic acid (SA) in canned food and other processed food samples, we developed a method that combines in-capillary derivatization with separation by capillary electrophoresis. This method employs the rapid derivatization of MSG with o-phthalaldehyde (OPA) in the presence of 3-mercaptopropionic acid (3-MPA) and enables the detection of the resulting OPA-MSG derivative and of non-derivatized BA and SA at 230nm. The composition of the background electrolyte and the parameters of derivatization and separation are as follows: 25mM borax containing 5mM OPA and 6mM 3-MPA, separation voltage 25mV, injection at 30mbar for 20s, and column temperature 25°C. Because of the high reaction rate and suitably adapted effective electrophoretic mobilities, band broadening due to the derivatization reaction at the start of the separation process is kept to a minimum. The optimized method is validated with respect to LOD, LOQ, linearity, recovery, and precision. This method can be applied to real samples such as soy, fish, oyster and sweet and sour chili sauces after application of appropriate clean-up steps. Mechanisms of zone broadening and zone focusing are discussed showing the validity of the employed theoretical approach regarding the dependence of the peak shape for OPA-MSG on the concentration of MSG in the sample. PMID:27156753

  9. Photophysical properties and excited state intramolecular proton transfer in 2-hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzoic acid in homogeneous solvents and micro-heterogeneous environments

    International Nuclear Information System (INIS)

    A systematic study on the photophysical properties and excited state intramolecular proton transfer (ESIPT) behavior of 2-hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzoic acid, is reported using steady-state and time-resolved fluorescence spectroscopy in homogeneous solvents as well as in different micro-heterogeneous environments. Depending on the nature of intramolecular hydrogen bond (IHB), the salicylic acid derivative may exist in two different ground state conformers (I and II). Structure I having IHB between the carbonyl oxygen and phenolic hydrogen can undergo ESIPT upon excitation as evidenced by largely Stokes-shifted fluorescence at ∼455 nm; whereas, normal fluorescence in the blue side of the spectrum (∼410 nm) is due to the spontaneous emission from conformer II. The results in homogeneous solvents were compared with those in bio-mimicking environments of β-cyclodextrin (CD) and surfactants. The intensity of the ESIPT fluorescence increases substantially upon encapsulation of the probe into the cyclodextrin as well as micellar nano-cavities. Detailed analysis of the spectroscopic data indicates that the probe forms 1:1 complex with CD in aqueous medium. Binding constant of the probe with the micelles as well as critical micelle concentration was obtained from the variation of fluorescence intensity on increasing concentration of different surfactants in aqueous medium. -- Highlights: • Steady state and time resolved fluorescence study on ESIPT in HMBA. • Dual fluorescence corresponding to the pro- and non-ESIPT structures. • Modulation of ESIPT fluorescence in micro-heterogeneous environments. • 1:1 stoichiometry for interaction with cyclodextrin. • Calculation of binding constant and other physico-chemical properties from fluorescence titration data in surfactants

  10. Photophysical properties and excited state intramolecular proton transfer in 2-hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzoic acid in homogeneous solvents and micro-heterogeneous environments

    Energy Technology Data Exchange (ETDEWEB)

    Gashnga, Pynsakhiat Miki [Centre for Advanced Studies, Department of Chemistry, North-Eastern Hill University, Shillong 793022, Meghalaya (India); Singh, T. Sanjoy [Department of Chemistry, Assam University, Silchar 788011, Assam (India); Baul, Tushar S. Basu [Centre for Advanced Studies, Department of Chemistry, North-Eastern Hill University, Shillong 793022, Meghalaya (India); Mitra, Sivaprasad, E-mail: smitra@nehu.ac.in [Centre for Advanced Studies, Department of Chemistry, North-Eastern Hill University, Shillong 793022, Meghalaya (India)

    2014-04-15

    A systematic study on the photophysical properties and excited state intramolecular proton transfer (ESIPT) behavior of 2-hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzoic acid, is reported using steady-state and time-resolved fluorescence spectroscopy in homogeneous solvents as well as in different micro-heterogeneous environments. Depending on the nature of intramolecular hydrogen bond (IHB), the salicylic acid derivative may exist in two different ground state conformers (I and II). Structure I having IHB between the carbonyl oxygen and phenolic hydrogen can undergo ESIPT upon excitation as evidenced by largely Stokes-shifted fluorescence at ∼455 nm; whereas, normal fluorescence in the blue side of the spectrum (∼410 nm) is due to the spontaneous emission from conformer II. The results in homogeneous solvents were compared with those in bio-mimicking environments of β-cyclodextrin (CD) and surfactants. The intensity of the ESIPT fluorescence increases substantially upon encapsulation of the probe into the cyclodextrin as well as micellar nano-cavities. Detailed analysis of the spectroscopic data indicates that the probe forms 1:1 complex with CD in aqueous medium. Binding constant of the probe with the micelles as well as critical micelle concentration was obtained from the variation of fluorescence intensity on increasing concentration of different surfactants in aqueous medium. -- Highlights: • Steady state and time resolved fluorescence study on ESIPT in HMBA. • Dual fluorescence corresponding to the pro- and non-ESIPT structures. • Modulation of ESIPT fluorescence in micro-heterogeneous environments. • 1:1 stoichiometry for interaction with cyclodextrin. • Calculation of binding constant and other physico-chemical properties from fluorescence titration data in surfactants.

  11. Quantitation of flavanols, proanthocyanidins, isoflavones, flavanones, dihydrochalcones, stilbenes, and benzoic Acid derivatives after identification by LC-MS

    Science.gov (United States)

    A general method was developed for the systematic quantitation of catechins, proanthocyanidins, isoflavones, flavanones, dihydrochalcones, stilbenes, and hydroxybenzoic acid derivatives (mainly hydrolyzable tannins) using the UV relative mole response factors (MRRF) of the reference standard from ea...

  12. p-Hydroxy benzoic acid-conjugated dendrimer nanotherapeutics as potential carriers for targeted drug delivery to brain: an in vitro and in vivo evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Swami, Rajan; Singh, Indu [National Institute of Pharmaceutical Education & Research (NIPER), Department of Pharmaceutics (India); Kulhari, Hitesh [CSIR-Indian Institute of Chemical Technology, Medicinal Chemistry & Pharmacology Division (India); Jeengar, Manish Kumar [National Institute of Pharmaceutical Education & Research (NIPER), Departmentof Pharmacology (India); Khan, Wahid, E-mail: wahid@niperhyd.ac.in; Sistla, Ramakrishna, E-mail: sistla@iict.res.in, E-mail: rksistla@yahoo.com [National Institute of Pharmaceutical Education & Research (NIPER), Department of Pharmaceutics (India)

    2015-06-15

    Dendrimers which are discrete nanostructures/nanoparticles are emerging as promising candidates for many nanomedicine applications. Ligand-conjugated dendrimer facilitate the delivery of therapeutics in a targeted manner. Small molecules such as p-hydroxyl benzoic acid (pHBA) were found to have high affinity for sigma receptors which are prominent in most parts of central nervous system and tumors. The aim of this study was to synthesize pHBA-dendrimer conjugates as colloidal carrier for site-specific delivery of practically water insoluble drug, docetaxel (DTX) to brain tumors and to determine its targeting efficiency. pHBA, a small molecule ligand was coupled to the surface amine groups of generation 4-PAMAM dendrimer via a carbodiimide reaction and loaded with DTX. The conjugation was confirmed by {sup 1}HNMR and FT-IR spectroscopy. In vitro release of drug from DTX-loaded pHBA-conjugated dendrimer was found to be less as compared to unconjugated dendrimers. The prepared drug delivery system exhibited good physico-chemical stability and decrease in hemolytic toxicity. Cell viability and cell uptake studies were performed against U87MG human glioblastoma cells and formulations exerted considerable anticancer effect than plain drug. Conjugation of dendrimer with pHBA significantly enhanced the brain uptake of DTX which was shown by the recovery of a higher percentage of the dose from the brain following administration of pHBA-conjugated dendrimers compared with unconjugated dendrimer or formulation in clinical use (Taxotere{sup ®}). Therefore, pHBA conjugated dendrimers could be an efficient delivery vehicle for the targeting of anticancer drugs to brain tumors.

  13. p-Hydroxy benzoic acid-conjugated dendrimer nanotherapeutics as potential carriers for targeted drug delivery to brain: an in vitro and in vivo evaluation

    International Nuclear Information System (INIS)

    Dendrimers which are discrete nanostructures/nanoparticles are emerging as promising candidates for many nanomedicine applications. Ligand-conjugated dendrimer facilitate the delivery of therapeutics in a targeted manner. Small molecules such as p-hydroxyl benzoic acid (pHBA) were found to have high affinity for sigma receptors which are prominent in most parts of central nervous system and tumors. The aim of this study was to synthesize pHBA-dendrimer conjugates as colloidal carrier for site-specific delivery of practically water insoluble drug, docetaxel (DTX) to brain tumors and to determine its targeting efficiency. pHBA, a small molecule ligand was coupled to the surface amine groups of generation 4-PAMAM dendrimer via a carbodiimide reaction and loaded with DTX. The conjugation was confirmed by 1HNMR and FT-IR spectroscopy. In vitro release of drug from DTX-loaded pHBA-conjugated dendrimer was found to be less as compared to unconjugated dendrimers. The prepared drug delivery system exhibited good physico-chemical stability and decrease in hemolytic toxicity. Cell viability and cell uptake studies were performed against U87MG human glioblastoma cells and formulations exerted considerable anticancer effect than plain drug. Conjugation of dendrimer with pHBA significantly enhanced the brain uptake of DTX which was shown by the recovery of a higher percentage of the dose from the brain following administration of pHBA-conjugated dendrimers compared with unconjugated dendrimer or formulation in clinical use (Taxotere®). Therefore, pHBA conjugated dendrimers could be an efficient delivery vehicle for the targeting of anticancer drugs to brain tumors

  14. A co-crystal of nona-hydrated disodium(II) with mixed anions from m-chloro-benzoic acid and furosemide.

    Science.gov (United States)

    London, Bianca King; Claville, Michelle O Fletcher; Babu, Sainath; Fronczek, Frank R; Uppu, Rao M

    2015-10-01

    In the title compound, [Na2(H2O)9](C7H4ClO2)(C12H10ClN2O5S) {systematic name: catena-poly[[[triaquasodium(I)]-di-μ-aqua-[triaquasodium(I)]-μ-aqua] 3-chlorobenzoate 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoate]}, both the original m-chloro-benzoic acid and furosemide exist with deprotonated carboxyl-ates, and the sodium cations and water mol-ecules exist in chains with stoichiometry [Na2(OH2)9](2+) that propagate in the [-110] direction. Each of the two independent Na(+) ions is coordinated by three monodentate water mol-ecules, two double-water bridges, and one single-water bridge. There is considerable cross-linking between the [Na2(OH2)9](2+) chains and to furosemide sulfonamide and carboxyl-ate by inter-molecular O-H⋯O hydrogen bonds. All hydrogen-bond donors participate in a complex two-dimensional array parallel to the ab plane. The furosemide NH group donates an intra-molecular hydrogen bond to the carboxyl-ate group, and the furosemide NH2 group donates an intra-molecular hydrogen bond to the Cl atom and an inter-molecular one to the m-chloro-benzoate O atom. The plethora of hydrogen-bond donors on the cation/water chain leads to many large rings, up to graph set R 4 (4)(24), involving two chains and two furosemide anions. The chloro-benzoate is involved in only one R 2 (2)(8) ring, with two water mol-ecules cis-coordinated to Na. The furan O atom is not hydrogen bonded. PMID:26594422

  15. Manganese [III] Tetrakis [5,10,15,20]-Benzoic Acid Porphyrin Reduces Adiposity and Improves Insulin Action in Mice with Pre-Existing Obesity.

    Science.gov (United States)

    Brestoff, Jonathan R; Brodsky, Tim; Sosinsky, Alexandra Z; McLoughlin, Ryan; Stansky, Elena; Fussell, Leila; Sheppard, Aaron; DiSanto-Rose, Maria; Kershaw, Erin E; Reynolds, Thomas H

    2015-01-01

    The superoxide dismutase mimetic manganese [III] tetrakis [5,10,15,20]-benzoic acid porphyrin (MnTBAP) is a potent antioxidant compound that has been shown to limit weight gain during short-term high fat feeding without preventing insulin resistance. However, whether MnTBAP has therapeutic potential to treat pre-existing obesity and insulin resistance remains unknown. To investigate this, mice were treated with MnTBAP or vehicle during the last five weeks of a 24-week high fat diet (HFD) regimen. MnTBAP treatment significantly decreased body weight and reduced white adipose tissue (WAT) mass in mice fed a HFD and a low fat diet (LFD). The reduction in adiposity was associated with decreased caloric intake without significantly altering energy expenditure, indicating that MnTBAP decreases adiposity in part by modulating energy balance. MnTBAP treatment also improved insulin action in HFD-fed mice, a physiologic response that was associated with increased protein kinase B (PKB) phosphorylation and expression in muscle and WAT. Since MnTBAP is a metalloporphyrin molecule, we hypothesized that its ability to promote weight loss and improve insulin sensitivity was regulated by heme oxygenase-1 (HO-1), in a similar fashion as cobalt protoporphyrins. Despite MnTBAP treatment increasing HO-1 expression, administration of the potent HO-1 inhibitor tin mesoporphyrin (SnMP) did not block the ability of MnTBAP to alter caloric intake, adiposity, or insulin action, suggesting that MnTBAP influences these metabolic processes independent of HO-1. These data demonstrate that MnTBAP can ameliorate pre-existing obesity and improve insulin action by reducing caloric intake and increasing PKB phosphorylation and expression. PMID:26397111

  16. Some characteristics of two azoreductase systems in rat liver. Relevance to the activity of 2-[4'-di(2"-bromopropyl)-aminophenylazo]benzoic acid (CB10-252), a compound possessing latent cytotoxic activity

    DEFF Research Database (Denmark)

    1975-01-01

    The system involved in the reduction of 2-[4'-di(2″-bromopropyl)aminophenylazo]benzoic acid (CB10-252), an agent designed for treating primary liver cell cancer, has been demonstrated to be localised mainly in the 108 000 × g supernatant fraction of rat liver homogenate. It is also present in other...... organs particularly in the spleen. DAB-azoreductase as shown previously is present almost entirely in the microsomal fraction and is found in high concentration only in liver. The pH maxima for CB10-252-azoreductase and DAB-azoreductase were 6.2 and 6.9, respectively. Methylred-azoreductase had...

  17. A 3-D Metal-Organic Framework Constructed with Manganese(ΙΙ), 4,4'-Oxybis(benzoic acid) and 2,2'-Biphenyl: Synthesis, Crystal Structure and Photoelectric Property Characterization

    OpenAIRE

    Fu-Hou Lei; Kai-Sheng Diao; Yu-Qiu Ding; Long Li

    2012-01-01

    Assembly of 4,4'-oxybis(benzoic acid) (H2L) with manganese chloride in the presence of 2,2'-biphenyl (2,2'-bpy) affords a new coordination polymer [Mn3L3(2,2'-bpy)2]n (1), in which the [MnL2]n layers are extended by L bridges resulting in a three-dimensional (3-D) coordination framework. The network structure of 1 has unusual (2,6)-connectivity and represents a new type of (812·123)(8)(3) topology. These identical and complementary networks are entangled to generate a self...

  18. Presença dos ácidos benzóico e sórbico em vinhos e sidras produzidos no Brasil Presence of benzoic and sorbic acids in Brazilian wines and ciders

    Directory of Open Access Journals (Sweden)

    Rita Margarete Donato Machado

    2007-12-01

    Full Text Available O objetivo do presente trabalho foi a determinação dos níveis de ácido benzóico e ácido sórbico em uma variedade de vinhos e sidras brasileiros, de modo a comparar os valores com os máximos permitidos pela legislação. Um total de 49 amostras (sendo 35 vinhos tintos, 11 vinhos brancos e 3 sidras, disponíveis comercialmente, foram analisadas por CLAE com detector de arranjo de diodos. Apesar do uso de ácido benzóico em vinhos e sidras não ser permitido, esse conservador foi detectado em 3 amostras: 1 vinho e 2 sidras em níveis de 295,6, 424,7 e 608,4 mg.L-1, respectivamente. O ácido sórbico foi detectado em 49% das amostras analisadas com níveis variando de 91,0 a 309,5 mg.L-1. Considerando apenas as amostras nas quais o ácido sórbico foi detectado, o valor médio encontrado foi de 171,2 mg.L-1. Em seis amostras de vinho tinto os níveis de ácido sórbico estavam acima do permitido pela legislação brasileira. Os resultados encontrados no presente trabalho mostram que em algumas amostras, os níveis dos ácidos benzóico e sórbico nos vinhos e sidras analisados, assim como a rotulagem desses produtos não estão de acordo com a legislação vigente no Brasil.This study determined benzoic and sorbic acid contents in Brazilian wines and ciders in order to verify whether these preservatives are used in accordance with Brazilian regulations. Forty-nine samples of commercially available wines (35 red wines, 11 white wines and 3 ciders were analyzed by HPLC coupled to a photodiode array detector. Although the use of benzoic acid in wines and ciders is not permitted, this preservative was detected in three samples, one wine and two ciders, which contained benzoic acid levels of 295.6, 424.7 and 608.4 mg.L-1, respectively. Sorbic acid was detected in 49% of the analyzed samples, with levels ranging from 91.0 to 309.5 mg.L-1. Considering only the samples containing sorbic acid, the mean content detected was 171.2 mg.L-1. Six red wine

  19. Determination of P-hydroxy Benzoic Acid EthyI ester in Fresh Bamboo Liquid Compound by HPLC%HPLC法测定复方鲜竹沥液中对羟基苯甲酸乙酯的含量

    Institute of Scientific and Technical Information of China (English)

    金卓

    2015-01-01

    OBJECTIVE Establish a determination method of p-hydroxy benzoic acid ethyl ester in fresh bam-boo liquid.METHODS Lichrospher C18 column(4.6 ×250mm,including 5μm) for the chromatographic column;In A:0.025 mol・ L-1 sodium dihydrogen phosphate solution ( adjustable pH 3.7 phosphate )-B:methanol as the gra-dient elution;Detection wavelength:258 nm;Flow rate:1.0 mL・ min -1;Column temperature 35℃.RESULTS P-hydroxy benzoic acid ethyl ester had a good linear and linear correlation in the range of 0.6915~55.32μg・ mL-1 ( r=0.9999 ) ,the average recovery was 96.31%,RSD was 1.17%( n=6 ) .CONCLUSION This method is simple and feasible ,and reproducible ,and Can be used to compound in fresh bamboo liquid content determination of hydrox -yl benzoic acid ethyl ester .%目的:建立复方鲜竹沥液中对羟基苯甲酸乙酯的含量测定方法。方法以 Lichrospher C18柱(4.6×250mm,5μm)为色谱柱;以 A:0.025mol・ L -1磷酸二氢钠溶液(磷酸调pH 3.7)-B:甲醇为梯度洗脱;检测波长:258nm;流速:1.0mL・ min -1;柱温:35℃。结果对羟基苯甲酸乙酯在0.6915~55.32μg・ mL -1范围内呈良好的线性关系(r=0.9999),平均回收率为96.31%,RSD为1.17%(n=6)。结论本方法简便可行,重现性好,可用于复方鲜竹沥液中对羟基苯甲酸乙酯的含量测定。

  20. Reprint of: Liquid chromatographic enzymatic studies with on-line Beta-secretase immobilized enzyme reactor and 4-(4-dimethylaminophenylazo) benzoic acid/5-[(2-aminoethyl) amino] naphthalene-1-sulfonic acid peptide as fluorogenic substrate.

    Science.gov (United States)

    De Simone, Angela; Seidl, Claudia; Santos, Cid Aimbiré M; Andrisano, Vincenza

    2014-10-01

    High throughput screening (HTS) techniques are required for the fast hit inhibitors selection in the early discovery process. However, in Beta-secretase (BACE1) inhibitors screening campaign, the most frequently used methoxycoumarin based peptide substrate (M-2420) is not widely applicable when aromatic or heterocycle compounds of natural source show auto-fluorescence interferences. Here, in order to overcome these drawbacks, we propose the use of a highly selective 4-(4-dimethylaminophenylazo)benzoic acid/5-[(2-aminoethyl)amino]naphthalene-1-sulfonic acid (DABCYL/1,5-EDANS) based peptide substrate (Substrate IV), whose cleavage product is devoid of spectroscopic interference. HrBACE1-IMER was prepared and characterized in terms of units of immobilised hrBACE1. BACE1 catalyzed Substrate IV cleavage was on-line kinetically characterized in terms of KM and vmax, in a classical Michaelis and Menten study. The on-line kinetic constants were found consistent with those obtained with the in solution fluorescence resonance energy transfer (FRET) standard method. In order to further validate the use of Substrate IV for inhibition studies, the inhibitory potency of the well-known BACE1 peptide InhibitorIV (IC₅₀: 0.19 ± 0.02 μM) and of the natural compound Uleine (IC₅₀: 0.57 ± 0.05) were determined in the optimized on-line hrBACE1-IMER. The IC₅₀ values on the hrBACE1-IMER system were found in agreement with that obtained by the conventional methods confirming the applicability of Substrate IV for on-line BACE1 kinetic and inhibition studies. PMID:24932540

  1. 3-溴-4-羟基-5-甲氧基苯甲酸甲酯的合成%Synthesis of 3-bromo-4-hydroxy-5-methoxy-benzoic Acid Methyl Ester

    Institute of Scientific and Technical Information of China (English)

    闫慧丽; 张立新; 张慧芳; 马甲民

    2011-01-01

    以香兰素为主要原料,经溴水溴代得溴代香兰素,再经氧化银氧化制取溴代香兰酸,最后与甲醇发生酯化反应,成功制得3-溴-4-羟基-5-甲氧基苯甲酸甲酯,总收率66.4%.各步反应的生成物提纯后经过1H-NMR、IR进行表征.%3-bromo4-hydroxy-5-methoxy-benzoic acid methyl ester in total yield of 66.4% is synthesized from vanillin via bromation by bromide, oxidation over silver oxide and esterification with methanol.The products from different steps are identified by 1H-NMR and IR.

  2. Syntheses, structures, and properties of Co(II)/Zn(II) mixed-ligand coordination polymers based on 4-[(3,5-dinitrobenzoyl)amino]benzoic acid and 1,4-bis(1-imidazolyl) benzene

    International Nuclear Information System (INIS)

    Two coordination polymers [Co(dnbab)2(bimb)](H2O)4 (1) and [Zn(dnbab)2(bimb)](H2O)5 (2) (Hdnbab=4-[(3,5-dinitrobenzoyl)amino]benzoic acid, bimb=1,4-bis(1-imidazolyl) benzene) have been solvothermally synthesized. Their structures have been determined by single-crystal X-ray diffraction analyses and further characterized by powder X-ray diffraction (PXRD) and thermogravimetric (TG) analyses. Complexes 1 and 2 are isostructures and each displays an one-dimensional (1D) zigzag chain, which further forms a 3D supramolecular architecture with 1-D channels via inter-chain π–π interactions and hydrogen bonds. Moreover, the magnetic properties of 1 and fluorescent properties of 2 have been investigated. - Graphical abstract: Two coordination supramolecular frameworks [Co(dnbab)2(bimb)](H2O)4(1) and [Zn(dnbab)2(bimb)](H2O)5(2) (Hdnbab=4-[(3,5-dinitrobenzoyl)amino]benzoic acid, bimb=1,4-bis(1-imidazolyl) benzene) have been synthesized and characterized by X-ray single-crystal diffraction. Their thermal, magnetic and fluorescent properties have also been studied. - Highlights: • Two isomorphic Co(II)/Zn(II) complexes with the mixed-ligands have been synthesized. • Hydrogen bonds and π–π stacking interactions directed the final 3-D architecture assembly. • Both Co(II) and Zn(II) complexes show good thermal stability. • Co complex exhibits antiferromagnetic interaction. • The fluorescent property of Zn(II) complex has been investigated in the solid state

  3. Syntheses, structures, and properties of Co(II)/Zn(II) mixed-ligand coordination polymers based on 4-[(3,5-dinitrobenzoyl)amino]benzoic acid and 1,4-bis(1-imidazolyl) benzene

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Fei; Chen, Jing; Liang, Yongfeng [Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou, Zhejiang 310018 (China); Zou, Yang, E-mail: zouyang@zstu.edu.cn [Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou, Zhejiang 310018 (China); Yinzhi, Jiang [Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou, Zhejiang 310018 (China); Xie, Jingli, E-mail: jlxie@mail.zjxu.edu.cn [College of Biological, Chemical Sciences and Engineering, Jiaxing University, Jiaxing, Zhejiang 314001 (China)

    2015-05-15

    Two coordination polymers [Co(dnbab){sub 2}(bimb)](H{sub 2}O){sub 4} (1) and [Zn(dnbab){sub 2}(bimb)](H{sub 2}O){sub 5} (2) (Hdnbab=4-[(3,5-dinitrobenzoyl)amino]benzoic acid, bimb=1,4-bis(1-imidazolyl) benzene) have been solvothermally synthesized. Their structures have been determined by single-crystal X-ray diffraction analyses and further characterized by powder X-ray diffraction (PXRD) and thermogravimetric (TG) analyses. Complexes 1 and 2 are isostructures and each displays an one-dimensional (1D) zigzag chain, which further forms a 3D supramolecular architecture with 1-D channels via inter-chain π–π interactions and hydrogen bonds. Moreover, the magnetic properties of 1 and fluorescent properties of 2 have been investigated. - Graphical abstract: Two coordination supramolecular frameworks [Co(dnbab){sub 2}(bimb)](H{sub 2}O){sub 4}(1) and [Zn(dnbab){sub 2}(bimb)](H{sub 2}O){sub 5}(2) (Hdnbab=4-[(3,5-dinitrobenzoyl)amino]benzoic acid, bimb=1,4-bis(1-imidazolyl) benzene) have been synthesized and characterized by X-ray single-crystal diffraction. Their thermal, magnetic and fluorescent properties have also been studied. - Highlights: • Two isomorphic Co(II)/Zn(II) complexes with the mixed-ligands have been synthesized. • Hydrogen bonds and π–π stacking interactions directed the final 3-D architecture assembly. • Both Co(II) and Zn(II) complexes show good thermal stability. • Co complex exhibits antiferromagnetic interaction. • The fluorescent property of Zn(II) complex has been investigated in the solid state.

  4. 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

    Institute of Scientific and Technical Information of China (English)

    朱加虹; 王小骊; 袁玉伟; 张玉; 胡桂仙; 董秀金

    2012-01-01

    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

  5. Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties

    International Nuclear Information System (INIS)

    Five Zn(II) and Cd(II) coordination polymers, [Zn2(BOABA)(bpp)(OH)]·0.5H2O (1), [Cd3(BOABA)2(bpp)2(H2O)6]·2H2O (2), [Cd3(BOABA)2(2,2′-bipy)3(H2O)4]·5.5H2O (3), [CdNa(BOABA)(H2O)]2·H2O (4) and [Cd2(BOABA)(bimb)Cl(H2O)2]·H2O (5) (H3BOABA=3,5-bis-oxyacetate-benzoic acid, bpp=1,3-bi(4-pyridyl)propane, 2,2′-bipy=2,2′-bipyridine, bimb=1,4-bis(imidazol-1′-yl)butane), have been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analyses, IR spectra and TG analyses. 1 is an uninodal 4-connected 2D square grid network based on binuclear zinc clusters. 2 is 2D wavelike layer structure and further linked by hydrogen bonds into the final 3D (5,6,6)-connected topology network. 3 is 3-connected 2D topology network and the 2,2′-bipy ligands decorate in two different types. 4 is a (4,8)-connected 2D topology network with heterocaryotic {Cd2Na2} clusters and BOABA3– ligands. 5 can be rationalized as a (3,10)-connected 3D topology network with tetranuclear {Cd4Cl2} clusters and BOABA3– ligands. Meanwhile, photoluminescence studies revealed that these five coordination polymers display strong fluorescent emission bands in the solid state at room temperature. - Graphical abstract: Five new d10 metal(II) coordination polymers based on H3BOABA ligand were obtained and characterized. They display different topological structures and luminescent properties. Highlights: ► Five d10 metal(II) polymers based on 3,5-bis-oxyacetate-benzoic acid were obtained. ► The polymers were structurally characterized by single-crystal X-ray diffraction. ► Polymers 1–5 display different topological structures. ► They show strong fluorescent emission bands in the solid state.

  6. Macromolecular organic acids in the Murchison meteorite

    OpenAIRE

    Watson, J.S.; Sephton, M.A.; Gilmour, I.

    2005-01-01

    This study has detected bound organic acids within the Murchison meteorite organic macromolecule. Benzoic acid was the most abundant compound; other abundant compounds include C1 and C2 benzoic acids. Their origin and significance will be discussed.

  7. The Inhibitive Effect of para-Amino Benzoic Acid and Its Polymer on Corrosion of Iron in 1 mol/L HCl Solution

    Institute of Scientific and Technical Information of China (English)

    P. Manivel; G. Venkatachari

    2006-01-01

    Poly p-aminobenzoic acid has been synthesized by chemical oxidation method. The inhibitive effect of poly p-aminobenzoic acid on iron in 1 mol/l HCl solution was investigated by polarization and electrochemical impedance spectroscopy and compared with that of monomer p-aminobenzoic acid. The effectiveness of poly p-aminobenzoic acid is very high in comparison with that of monomer. The results show that both cathodic and anodic processes were suppressed by p-aminobenzoic acid and poly p-aminobenzoic acid of iron dissolution in 1 mol/L HCl by their adsorption on the iron surface. The inhibition efficiency of both p-aminobenzoic acid and poly p-aminobenzoic acid were found to increase with the inhibitor concentrations. Ultraviolet (UV)reflectance studies of the iron surface after exposure to inhibitor acid show that poly p-aminobenzoic acid is strongly adsorbed on iron surface.

  8. 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

    Science.gov (United States)

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

    2007-01-01

    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

  9. Significant Influences of Elaborately Modulating Electron Donors on Light Absorption and Multichannel Charge-Transfer Dynamics for 4-(Benzo[c][1,2,5]thiadiazol-4-ylethynyl)benzoic Acid Dyes.

    Science.gov (United States)

    Wang, Erfeng; Yao, Zhaoyang; Zhang, Yiqiang; Shao, Guosheng; Zhang, Min; Wang, Peng

    2016-07-20

    4-(Benzo[c][1,2,5]thiadiazol-4-ylethynyl)benzoic acid (BTEBA) as a promising electron acceptor has been used in the highly efficient organic dye-sensitized solar cells (DSCs) recently. Because of its strong electron-deficient character, BTEBA could bring forth a remarkable decline in the energy level of the lowest unoccupied molecular orbital (LUMO) and further reduce the energy gap of dye molecules significantly. In this contribution, two metal-free organic dyes WEF1 and WEF2 were synthesized by simply combining BTEBA with two slightly tailored electron-releasing moieties: 4-hexylphenyl substituted indaceno[1,2-b:5,6-b']dithiophene (IDT) and cyclopenta[1,2-b:5,4-b']dithiophene[2',1':4,5]thieno[2,3-d]thiophene (CPDTDT), which were screened rationally from an electron-donor pool via computational simulation. With respect to those of WEF1, WEF2-sensitized solar cells demonstrate a far better short-circuit photocurrent density (JSC) and open-circuit photovoltage (VOC), resulting in a ∼50% improved power conversion efficiency of 10.0% under irradiance of 100 mW cm(-2) AM1.5G sunlight. We resorted to theoretical calculations, electrical measurements, steady-state, and time-resolved spectroscopic methods to shed light on the fatal influences of elaborately modulating electron donors on light absorption, interfacial energetics, and multichannel charge-transfer dynamics. PMID:27331621

  10. A 3-D Metal-Organic Framework Constructed with Manganese(ΙΙ, 4,4'-Oxybis(benzoic acid and 2,2'-Biphenyl: Synthesis, Crystal Structure and Photoelectric Property Characterization

    Directory of Open Access Journals (Sweden)

    Fu-Hou Lei

    2012-09-01

    Full Text Available Assembly of 4,4'-oxybis(benzoic acid (H2L with manganese chloride in the presence of 2,2'-biphenyl (2,2'-bpy affords a new coordination polymer [Mn3L3(2,2'-bpy2]n (1, in which the [MnL2]n layers are extended by L bridges resulting in a three-dimensional (3-D coordination framework. The network structure of 1 has unusual (2,6-connectivity and represents a new type of (812·123(8(3 topology. These identical and complementary networks are entangled to generate a self-penetrating supramolecular lattice. Moreover, the fluorescence spectrum of 1 exhibits fluorescent emission in the solution of methanol at room temperature. Electrochemical investigation illustrates the electrochemical properties of the title compound. The structure (C62H40Mn3N4O15n is monoclinic with a = 14.2304(18, b = 17.019(2, c = 25.805(3 Å, α = γ = 90, β = 92.932(2° and space group C2/c.

  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

    Institute of Scientific and Technical Information of China (English)

    袁凤琴; 王佳; 牛爱华; 苏美玲; 梁轶; 常建军; 宋晓东

    2014-01-01

    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. HPLC法同时测定食品中的乙酰磺胺酸钾、苯甲酸、山梨酸、糖精钠%Simultaneous determination of acesulfame patassium, benzoic acid, sorbic acid, soluble saccharin in foods by HPLC

    Institute of Scientific and Technical Information of China (English)

    胡丽华

    2013-01-01

    目的:建立同时检测食品中乙酰磺胺酸钾、苯甲酸、山梨酸、糖精钠的HPLC方法.方法:按GB/T23459-2009《食品中苯甲酸、山梨酸、糖精钠的测定-高效液相色谱法》的提取方法,调整流动相比例使四种物质得到良好分离,并测定其在不同食品中的加标回收率,做方法学论证.结果:乙酰磺胺酸钾、苯甲酸、山梨酸、糖精钠在2.0μg/ml ~ 40.0 μg/ml范围内线性良好(r>0.999),检出限<0.086 mg/kg,加标回收率在87.4% ~ 106.2%之间,重复测定的RSD<1.3% (n =6).结论:该方法简便、快捷、准确,适合批量样品检测.%Objective:Simultaneous determination of acesulfame patassium,benzoic acid,sorbic acid,soluble saccharin in foods by HPLC was established.Methods:According to GB/T 23459-2009 “Determination of benzoic acid,sorbic acid,soluble saccharin in foods-High performance liquid chromatography method”,the four substances were well separated by adjusting the mobile phase proportion and determined the recoveries in different foods for method science demonstration.Results:Acesulfame potassium,benzoic acid,sorbic acid,soluble saccharin showed good linearity(r >0.999) in the range of 2.0 μg/ml ~40.0 μg/ml,the limit of the detection was less than 0.086 mg/kg,the recovery rates were 87.4% ~ 106.2%,the relative standard deviation was less than 1.3% (n =6).Conclusion:The method is simple,fast,accurate,and suitable to test bulk samples.

  13. A 2:1 co-crystal of p-nitro-benzoic acid and N,N'-bis-(pyridin-3-ylmeth-yl)ethanedi-amide: crystal structure and Hirshfeld surface analysis.

    Science.gov (United States)

    Syed, Sabrina; Halim, Siti Nadiah Abdul; Jotani, Mukesh M; Tiekink, Edward R T

    2016-01-01

    The title 2:1 co-crystal, 2C7H5NO4·C14H14N4O2, in which the complete di-amide mol-ecule is generated by crystallographic inversion symmetry, features a three-mol-ecule aggregate sustained by hydroxyl-O-H⋯N(pyrid-yl) hydrogen bonds. The p-nitro-benzoic acid mol-ecule is non-planar, exhibiting twists of both the carb-oxy-lic acid and nitro groups, which form dihedral angles of 10.16 (9) and 4.24 (4)°, respectively, with the benzene ring. The di-amide mol-ecule has a conformation approximating to a Z shape, with the pyridyl rings lying to either side of the central, almost planar di-amide residue (r.m.s. deviation of the eight atoms being 0.025 Å), and forming dihedral angles of 77.22 (6)° with it. In the crystal, three-mol-ecule aggregates are linked into a linear supra-molecular ladder sustained by amide-N-H⋯O(nitro) hydrogen bonds and orientated along [10-4]. The ladders are connected into a double layer via pyridyl- and benzene-C-H⋯O(amide) inter-actions, which, in turn, are connected into a three-dimensional architecture via π-π stacking inter-actions between pyridyl and benzene rings [inter-centroid distance = 3.6947 (8) Å]. An evaluation of the Hirshfeld surfaces confirm the importance of inter-molecular inter-actions involving oxygen atoms as well as the π-π inter-actions. PMID:26870591

  14. DFT calculations, spectroscopic, thermal analysis and biological activity of Sm(III) and Tb(III) complexes with 2-aminobenzoic and 2-amino-5-chloro-benzoic acids

    Science.gov (United States)

    Essawy, Amr A.; Afifi, Manal A.; Moustafa, H.; El-Medani, S. M.

    2014-10-01

    The complexes of Sm(III) and Tb(III) with 2-aminobenzoic acid (anthranilic acid, AA) and 2-amino-5-chlorobenzoic acid (5-chloroanthranilic acid, AACl) were synthesized and characterized based on elemental analysis, IR and mass spectroscopy. The data are in accordance with 1:3 [Metal]:[Ligand] ratio. On the basis of the IR analysis, it was found that the metals were coordinated to bidentate anthranilic acid via the ionised oxygen of the carboxylate group and to the nitrogen of amino group. While in 5-chloroanthranilic acid, the metals were coordinated oxidatively to the bidentate carboxylate group without bonding to amino group; accordingly, a chlorine-affected coordination and reactivity-diversity was emphasized. Thermal analyses (TGA) and biological activity of the complexes were also investigated. Density Functional Theory (DFT) calculations at the B3LYP/6-311++G (d,p)_ level of theory have been carried out to investigate the equilibrium geometry of the ligand. The optimized geometry parameters of the complexes were evaluated using SDDALL basis set. Moreover, total energy, energy of HOMO and LUMO and Mullikan atomic charges were calculated. In addition, dipole moment and orientation have been performed and discussed.

  15. A Novel Organic Compound 3-(3,5-Dichlorobenzylidenea mino)Benzoic Acid Possessing Photochromism and Thermochromism%一种新的有机光致变色及热致变色化合物间氨基苯甲酸缩3,5二氯水杨醛希夫碱

    Institute of Scientific and Technical Information of China (English)

    李光华; 丁国华

    2011-01-01

    The title compound, 3-(3, 5-dichlorobenzylideneamino) benzoic acid was obtained by the condensation of 3 -aminobenzoic acid and 3, 5 -dichlorosalicylaldehyde, and the structure of it was determined by H NMR, IR, and high-resolution mass spectra. We have studied its fluorescence performance and thermal stability. The UV and fluorescence spectrums reveal that the title compound possesses favorable properties of photochromism and thermochromism in DMF solution. The analysis also shows that there is a linear relationship between its absorbance and time or temperature, which further demonstrate its photo-and thermochromic properties.

  16. Effects of a blend of essential oil compounds and benzoic acid on performance of broiler chickens as revealed by a meta-analysis of 4 growth trials in various locations.

    Science.gov (United States)

    Weber, G M; Michalczuk, M; Huyghebaert, G; Juin, H; Kwakernaak, C; Gracia, M I

    2012-11-01

    A series of growth trials with broiler chicks was conducted in various geographical locations to evaluate the efficacy of a novel eubiotic feed additive (EFA) at various dietary inclusion levels on performance of growing chicks. The EFA product consisted of a blend of essential oil compounds (thymol, eugenol, piperine) with benzoic acid, all belonging to the group of flavoring substances. Although variable in responses, the overall results indicated that 300 mg/kg of this EFA represented an optimum supplementation dose for generation of beneficial performance effects in broilers. A meta-analysis with all data from the 300 mg/kg EFA-supplemented treatments in comparison with the non-supplemented controls revealed that the eubiotic product significantly improved BW on d 21 (+2.0%; P = 0.0021) and on d 42 (+1.4%; P = 0.0151). Furthermore, the birds on the EFA 300 mg/kg treatment expressed a higher average daily gain in the starter phase (d 1-21; +2.1%; P = 0.0023) and over the entire experimental period (d 1-42; +1.5%; P = 0.0154). Feed conversion ratio was more favorable with dietary EFA supplementation (-0.6%; P = 0.0414), when compared with the control birds. Mortality was considered normal and was not affected by the dietary treatment (control = 3.09%; EFA 300 mg/kg = 3.26%). In conclusion, 300 mg/kg of this new eubiotic product demonstrated to effectively improve performance of broiler chicks under various husbandry conditions. PMID:23091138

  17. 干燥蒜粉中苯甲酸检测的假阳性分析%THE FALSE POSITIVE ANALYSIS OF BENZOIC ACID DETECTION IN DRY GARLIC POWDER

    Institute of Scientific and Technical Information of China (English)

    郑成荣; 范艳红; 孙洪峰; 罗之纲

    2009-01-01

    以GB/T5009.29-2003液相色谱条件检测干燥蒜粉样品里的苯甲酸时,出现引起误判的干扰性物质,当HPLC方法经过适当的调整(梯度洗脱条件:0min,5%B,流速0.7mL/min;5min,5%B,流速0.7mL/min;7min,7%B,流速1mL/min;12min,5%B,流速1mL/min;15min,5%B,流速1 mL/min;30min,5%B,流速1mL/min,B相为甲醇),可避免这个问题.%There are some interfering matter as detecting benzoic acid in dry garlic powder by the method of GB/T 5009.29-2003. As adjusting the method of HPLC properly (the condition of gradient elution: 0 min, 5% B, velocity of flow: 0.7mL/min; 5 min, 5 %B, velocity of flow: 0.7 mL/min; 7 min, 7 %B, velocity of flow: 1 mL/ min; 12 min,5 %B, velocity of flow: 1mL/min; 15 min,5 %B, velocity of flow: 1 mL/min;30 min,5 %B,velocity of flow: 1 mL/min B:ethanol), the problem can be avoided.

  18. A study of gaseous benzenium and toluenium ions generated from 1,4- dihydro- and 1-methyl-1,4-dihydro-benzoic acids

    OpenAIRE

    Kuck, Dietmar; Schneider, Jens; Grützmacher, Hans-Friedrich

    1985-01-01

    Gaseous benzenium C6H7+(1) and toluenium C7H9+(2) ions have been generated by mass spectrometric loss of CO2H from the corresponding 1,4-dihydrobenzoic acids (3) and (4), and their fragmentations after ca. 10 µs have been investigated by means of mass-analysed ion kinetic energy (MIKE) spectrometry of some 2H and 13C labelled analogues. Metastable C6H7+ ions eliminate H2 after proton randomization, whereas metastable C7H9+ ions expel both H2 and CH4 after incomplete proton equilibration. In p...

  19. Novel Triphenylantimony(V and Triphenylbismuth(V Complexes with Benzoic Acid Derivatives: Structural Characterization, in Vitro Antileishmanial and Antibacterial Activities and Cytotoxicity against Macrophages

    Directory of Open Access Journals (Sweden)

    Arshad Islam

    2014-05-01

    Full Text Available Two novel organoantimony(V and two organobismuth(V complexes of the type ML2 were synthesized, with L = acetylsalicylic acid (HL1 or 3-acetoxybenzoic acid (HL2 and M = triphenylantimony(V (M1 or triphenylbismuth(V (M2. Complexes, [M1(L12] (1, [M1(L22]∙CHCl3 (2, [M2(L12], (3 and [M2(L22] (4, were characterized by elemental analysis, IR and NMR. Crystal structures of triphenylantimony(V dicarboxylate complexes 1 and 2 were determined by single crystal X-ray diffraction. Structural analyses revealed that 1 and 2 adopt five-coordinated extremely distorted trigonal bipyramidal geometries, binding with three phenyl groups in the equatorial position and two deprotonated organic ligands (L in the axial sites. The metal complexes, their metal salts and ligands were evaluated in vitro for their activities against Leishmania infantum and amazonensis promastigotes and Staphylococcus aureus and Pseudomonas aeruginosa bacteria. Both the metal complexes showed antileishmanial and antibacterial activities but the bismuth complexes were the most active. Intriguingly, complexation of organobismuth(V salt reduced its activity against Leishmania, but increased it against bacteria. In vitro cytotoxic test of these complexes against murine macrophages showed that antimony(V complexes were the least toxic. Considering the selectivity indexes, organoantimony(V complexes emerge as the most promising antileishmanial agents and organobismuth(V complex 3 as the best antibacterial agent.

  20. A Novel Electrochemical Sensor for Probing Doxepin Created on a Glassy Carbon Electrode Modified with Poly(4-Amino- benzoic Acid/Multi-Walled Carbon Nanotubes Composite Film

    Directory of Open Access Journals (Sweden)

    Ji-Lie Kong

    2010-09-01

    Full Text Available A novel electrochemical sensor for sensitive detection of doxepin was prepared, which was based on a glassy carbon electrode modified with poly(4-aminobenzoic acid/multi-walled carbon nanotubes composite film [poly(4-ABA/MWNTs/GCE]. The sensor was characterized by scanning electron microscopy and electrochemical methods. It was observed that poly(4-ABA/MWNTs/GCE showed excellent preconcentration function and electrocatalytic activities towards doxepin. Under the selected conditions, the anodic peak current was linear to the logarithm of doxepin concentration in the range from 1.0 ´ 10−9 to 1.0 ´ 10−6 M, and the detection limit obtained was 1.0 × 10−10 M. The poly(4-ABA/MWNTs/GCE was successfully applied in the measurement of doxepin in commercial pharmaceutical formulations, and the analytical accuracy was confirmed by comparison with a conventional ultraviolet spectrophotometry assay.

  1. 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

    OpenAIRE

    Larsen, John Christian; Nørby, Karin Kristiane; Beltoft, Vibe Meister; Lund, Pia; Binderup, Mona-Lise; Frandsen, Henrik Lauritz

    2011-01-01

    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 substances [FL-no: 06.104 and 09.570] and new information to support the re-allocation of the structural class for the candidate substance piperonyl alcohol [FL-no: 02.205] has been submitted. The 41 flavou...

  2. 2-(4-Bromobenzenesulfonamido)benzoic acid

    OpenAIRE

    Muhammad Nadeem Arshad; Islam Ullah Khan; Mehmet Akkurt; Muhammad Shafiq; Ghulam Mustafa

    2009-01-01

    In the title compound, C13H10BrNO4S, the dihedral angle between the benzene rings is 82.75 (15)°. An intramolecular N—H...O hydrogen bond generates an S(6) ring motif. In the crystal structure, two molecules form an R22(8) centrosymmetric dimer through a pair of O—H...O hydrogen bonds. Intra- and intermolecular C—H...O hydrogen bonds are also observed.

  3. 2-(4-Acetamidobenzenesulfonamido)benzoic acid

    OpenAIRE

    Shahzad Sharif; Islam Ullah Khan; Tariq Mahmood; Sung Kwon Kang

    2011-01-01

    In the title compound, C15H14N2O5S, two similar molecules comprise the asymmetric unit, which are linked by strong intermolecular C—H...π interactions. Both molecules are bent, with dihedral angles of 71.94 (16) and 74.62 (15)° between the benzene rings. An intramolecular N—H...O hydrogen bond occurs in each molecule. In the crystal, intermolecular N—H...O and O—H...O hydrogen bonds link the molecules into a three-d...

  4. 4-(Imidazol-1-yl)benzoic acid

    Science.gov (United States)

    Zheng, Zheng; Geng, Wen-Qian; Wu, Zhi-Chao; Zhou, Hong-Ping

    2011-01-01

    In the title mol­ecule, C10H8N2O2, the imidazole and benzene rings form a dihedral angle of 14.5 (1)°. In the crystal, inter­molecular O—H⋯N hydrogen bonds link the mol­ecules into chains extending in [01], which are further linked into sheets parallel to (102) through weak C—H⋯O inter­actions. PMID:21523173

  5. 4-[(E-(4-Fluorobenzylideneamino]benzoic acid

    Directory of Open Access Journals (Sweden)

    Blanca M. Muñoz-Flores

    2012-01-01

    Full Text Available In the title compound, C14H10FNO2, the benzene rings make a dihedral angle of 57.50 (13°, and the molecule has an E configuration about the C=N bond. In the crystal, molecules are linked via pairs of O—H...O hydrogen bonds, forming inversion dimers.

  6. 4-Hydroxybenzyl modification of the highly teratogenic retinoid, 4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-1-propen-1-yl]benzoic acid (TTNPB), yields a compound that induces apoptosis in breast cancer cells and shows reduced teratogenicity.

    Science.gov (United States)

    Anding, Allyson L; Nieves, Nirca J; Abzianidze, Victoria V; Collins, Michael D; Curley, Robert W; Clagett-Dame, Margaret

    2011-11-21

    Retinoids are a class of compounds with structural similarity to vitamin A. These compounds inhibit the proliferation of many cancer cell lines but have had limited medical application as they are often toxic at therapeutic levels. Efforts to synthesize retinoids with a greater therapeutic index have met with limited success. 4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-1-propen-1-yl]benzoic acid (TTNPB) is one of the most biologically active all-trans-retinoic acid (atRA) analogues and is highly teratogenic. In this study, we show that modification of the TTNPB carboxyl group with an N-(4-hydroxyphenyl)amido (4HPTTNPB) or a 4-hydroxybenzyl (4HBTTNPB) group changes the activity of the compound in cell culture and in vivo. Unlike TTNPB, both compounds induce apoptosis in cancer cells and bind poorly to the retinoic acid receptors (RARs). Like the similarly modified all-trans-retinoic acid (atRA) analogues N-(4-hydroxyphenyl)retinamide (4-HPR/fenretinide) and 4-hydroxybenzylretinone (4-HBR), 4HBTTNPB is a potent activator of components of the ER stress pathway. The amide-linked analogue, 4HPTTNPB, is less toxic to developing embryos than the parent TTNPB, and most significantly, the 4-hydroxybenzyl-modified compound (4HBTTNPB) that cannot be hydrolyzed in vivo to the parent TTNPB compound is nearly devoid of teratogenic liability. PMID:21939267

  7. 马来酸曲美布汀缓释片杂质3,4,5-三甲氧基苯甲酸的检测%Study on Detection Method of Impurity 3,4.5-Trimethoxy Benzoic Acid in Trimebutine Maleate Sustained-Release Tablets

    Institute of Scientific and Technical Information of China (English)

    胡泽开; 付爱萍; 蒋国祥; 李观峰; 胡静

    2011-01-01

    Objective To establish a scientific and rational HPLC method for the quantitative determination of impurity 3, 4, 5 - trimethoxy benzoic acid in trimebutine maleate sustained release tablets. Methods The high performance liquid chromatography(HPLC) was used with octadecyl silane bonded silica as the filler. Perchlorate huffer (taking perchloric acid 0. 85 mL, adding water to 1 000 mL, adjusting to pH 3. 75 ±0. 05 with 0. 1% ammonium acetate solution 1 000 mL, taking the solution 1 000 mL, adding pentanesulfonic acid sodium 1. 54 g and shaking the solution) - acetonitrile ( 65 ∶ 35) was the mobile phase. The detection wavelength was 267 nm. The injection volume: 10 μL. Results The content of impurity 3, 4, 5 -trimethoxy benzoic acid in three batches of sample of trimebutine maleate sustained release tablets produced by our corporation, sustained - release tablets sample produced by korea and trimebutine maleate tahlets produced by Japan did not exceed 0. 1%. The good linearity relation with the peak area was in the concentration range of 0. 099 - 19. 8 μg/mL. The average recovery rate was 99. 73%, RSD 0. 23%. Conclusion The HPLC determination of impurity 3, 4, 5 - trimethoxy benzoic acid in trimebutine maleate sustained release tablets has high sensitivity, wide linear range and high recovery rate.%目的 建立测定马来酸曲美布汀缓释片中杂质3,4,5-三甲氧基苯甲酸含量的高效液相色谱法.方法 用十八烷基硅烷键合硅胶为填充剂,以高氯酸缓冲液(取高氯酸0.85 mL,加水至1 000mL,用0.1%醋酸胺溶液约1 000mL调pH至3.75±0.05,取此溶液1 000mL,加戊烷磺酸钠1.54 g,振摇使溶解)-乙腈(65:35)为流动相,检测波长为267 nm,进样量10 μL.结果 3批样品中3,4,5-三甲氧基苯甲酸杂质的含量均未超过0.1%,其质量浓度在0.099~19.8 μg/mL范围内与峰面积线性关系良好,平均回收率为99.73%,RSD为0.23%.结论 高效液相色谱法测定马来酸

  8. Tetra-μ-benzoato-κ4O:O′;κ3O:O,O′;κ3O,O′:O′-bis[(benzoato-κ2O,O′(1,10-phenanthroline-κ2N,N′terbium(III] benzoic acid disolvate

    Directory of Open Access Journals (Sweden)

    Ping Howe Ooi

    2010-06-01

    Full Text Available The asymmetric unit of the title complex, [Tb2(C7H5O26(C12H8N22]·2C7H6O2, consists of one-half of the complex molecule, which lies on a crystallographic inversion centre, and one benzoic acid solvent molecule. The two TbIII ions are linked by four bridging benzoate ions, with a Tb...Tb distance of 3.9280 (6 Å. Additionally, each TbIII ion is coordinated by one phenanthroline heterocycle and a bidentate benzoate ion. The irregular nine-coordinated geometry of the TbIII ion is composed of seven O and two N atoms. The molecular structure is stabilized by intramolecular C—H...O hydrogen bonds. In the crystal structure, molecules are linked into chains along the a axis by intermolecular C—H...O hydrogen bonds. The crystal structure is further stabilized by intermolecular C—H...O and C—H...π interactions. Weak π–π interactions are also observed [centroid–centroid distances = 3.6275 (14–3.6604 (14 Å].

  9. 4-[Bis(4-fluoro­phen­yl)meth­yl]piperazin-1-ium 2-hy­droxy­benzoate 2-hy­droxy­benzoic acid monosolvate

    OpenAIRE

    Dayananda, A. S.; Yathirajan, H.S.; Ulrich Flörke

    2012-01-01

    The title compound, C17H19F2N2+·C7H5O3−·C7H6O3, is a co-crystal from 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium, salicylate anion and salicylic acid in a 1:1:1 ratio. In addition to an intramolecular O—H...O hydrogen bond, the crystal packing shows hydrogen bonds between the piperazinium cation and salicylate anion (N—H...O), as well as between the salicylic acid molecule and anion (O—H...O), giving rise to a three-dimensional network.

  10. Microporous metal organic framework [M2(hfipbb)2(ted)] (M=Zn, Co; H2hfipbb=4,4-(hexafluoroisopropylidene)-bis(benzoic acid); ted=triethylenediamine): Synthesis, structure analysis, pore characterization, small gas adsorption and CO2/N2 separation properties

    International Nuclear Information System (INIS)

    Carbon dioxide is a greenhouse gas that is a major contributor to global warming. Developing methods that can effectively capture CO2 is the key to reduce its emission to the atmosphere. Recent research shows that microporous metal organic frameworks (MOFs) are emerging as a promising family of adsorbents that may be promising for use in adsorption based capture and separation of CO2 from power plant waste gases. In this work we report the synthesis, crystal structure analysis and pore characterization of two microporous MOF structures, [M2(hfipbb)2(ted)] (M=Zn (1), Co (2); H2hfipbb=4,4-(hexafluoroisopropylidene)-bis(benzoic acid); ted=triethylenediamine). The CO2 and N2 adsorption experiments and IAST calculations are carried out on [Zn2(hfipbb)2(ted)] under conditions that mimic post-combustion flue gas mixtures emitted from power plants. The results show that the framework interacts with CO2 strongly, giving rise to relatively high isosteric heats of adsorption (up to 28 kJ/mol), and high adsorption selectivity for CO2 over N2, making it promising for capturing and separating CO2 from CO2/N2 mixtures. - Graphical abstract: Microporous [Zn2(hfipbb)2(ted)] demonstrates high adsorption selectivity for CO2 over N2 under conditions that mimic flue gas mixtures. Highlights: ► Two new porous MOFs were synthesized and characterized by rational design. ► The small pore size leads to greatly enhanced CO2–MOF interaction. ► High adsorption selectivity of the Zn–MOF for CO2 over N2 is achieved

  11. Inhibition of soluble epoxide hydrolase by cis-4-[4-(3-adamantan-1-ylureido)cyclohexyl-oxy]benzoic acid exhibits antihypertensive and cardioprotective actions in transgenic rats with angiotensin II-dependent hypertension

    Czech Academy of Sciences Publication Activity Database

    Neckář, Jan; Kopkan, L.; Husková, Z.; Kolář, František; Papoušek, František; Kramer, H. J.; Hwang, S.H.; Hammock, B.D.; Imig, J. D.; Malý, J.; Netuka, I.; Ošťádal, Bohuslav; Červenka, L.

    2012-01-01

    Roč. 122, č. 11 (2012), s. 513-525. ISSN 0143-5221 R&D Projects: GA AV ČR(CZ) IAAX01110901; GA AV ČR(CZ) KAN200520703; GA MŠk(CZ) 1M0510 Institutional research plan: CEZ:AV0Z50110509 Keywords : hypertension * angiotensin II * kidney * epoxyeicosatrienoic acids * soluble epoxide hydrolase inhibitor * myocardial ischemia/reperfusion injury Subject RIV: FA - Cardiovascular Diseases incl. Cardiotharic Surgery Impact factor: 4.859, year: 2012

  12. Effect of the varying Π-accepting properties of some ortho-substituted benzoic acids on the stability of mixed-ligand complexes also containing quinizarin and thorium(4)

    International Nuclear Information System (INIS)

    The mixed-ligand complexes of thorium(4) with quinizarin (quin) and as a second ligand, L, salicylic acid (sa), thiosalicylic acid (tsa) or anthranilic acid (ant) were studied potentiometrically in 40% (v/v) ethanol-water medium [I = 100 mmoldm-3 (KNO3), 25±0,10C]. The equilibria existing in solutions were demonstrated and the ternary stability constants of the 1:1:1 Th-quin-L complexes were characterized. All of these biligand complexes are considerably more stable than the corresponding monoligand ones. In addition, the relatively most stable ternary complex is formed with ant which is the best Π-acceptor. The order of stability of the ternary complexes is in accordance with the calculated Π-charge densities of the varying ligating group in the ligand L. The values of the equilibrium constants (log units) for the reaction: Th(quin)2+ThL2 rightleftdblarrow 2Th(quin)(L) are 2,47 (0,13), 2,60 (0,3) and 4,25 (0,86) for Th(quin)(tsa), Th(quin)(sa) and Th(quin)(ant), respectively. The constants given in parentheses correspond to Δlog KTh (= log KTh(quin)(L)Th(quin)-log KThLTh). (Author)

  13. 3-Fluoro­benzoic acid–4-acetyl­pyridine (1/1) at 100 K

    OpenAIRE

    Craig, Gavin A; Thomas, Lynne H.; Adam, Martin S.; Ballantyne, Angela; Cairns, Andrew; Cairns, Stephen C.; Copeland, Gary; Harris, Clifford; McCalmont, Eve; McTaggart, Robert; Martin, Alan R. G.; Palmer, Sarah; Quail, Jenna; Saxby, Harriet; Duncan J. Sneddon

    2009-01-01

    In the title compound, C7H5FO2·C7H7NO, a moderate-strength hydrogen bond is formed between the carboxyl group of one mol­ecule and the pyridine N atom of the other. The benzoic acid mol­ecule is observed to be disordered over two positions with the second orientation only 4% occupied. This disorder is also reflected in the presence of diffuse scattering in the diffraction pattern.

  14. A 2:1 co-crystal of 2-methyl-benzoic acid and N,N'-bis-(pyridin-4-ylmeth-yl)ethanedi-amide: crystal structure and Hirshfeld surface analysis.

    Science.gov (United States)

    Syed, Sabrina; Jotani, Mukesh M; Halim, Siti Nadiah Abdul; Tiekink, Edward R T

    2016-03-01

    The asymmetric unit of the title 2:1 co-crystal, 2C8H8O2·C14H14N4O2, comprises an acid mol-ecule in a general position and half a di-amide mol-ecule, the latter being located about a centre of inversion. In the acid, the carb-oxy-lic acid group is twisted out of the plane of the benzene ring to which it is attached [dihedral angle = 28.51 (8)°] and the carbonyl O atom and methyl group lie approximately to the same side of the mol-ecule [hy-droxy-O-C-C-C(H) torsion angle = -27.92 (17)°]. In the di-amide, the central C4N2O2 core is almost planar (r.m.s. deviation = 0.031 Å), and the pyridyl rings are perpendicular, lying to either side of the central plane [central residue/pyridyl dihedral angle = 88.60 (5)°]. In the mol-ecular packing, three-mol-ecule aggregates are formed via hy-droxy-O-H⋯N(pyrid-yl) hydrogen bonds. These are connected into a supra-molecular layer parallel to (12[Formula: see text]) via amide-N-H⋯O(carbon-yl) hydrogen bonds, as well as methyl-ene-C-H⋯O(amide) inter-actions. Significant π-π inter-actions occur between benzene/benzene, pyrid-yl/benzene and pyrid-yl/pyridyl rings within and between layers to consolidate the three-dimensional packing. PMID:27006815

  15. 中草药凉茶中苯甲酸、山梨酸、对羟基苯甲酸酯类同时测定的方法研究%Research on the Method of Simultaneously Determining Benzoic Acid, Sorbic Acid,Parabens in Herbal Tea

    Institute of Scientific and Technical Information of China (English)

    罗海英; 杨毅兰; 李荔; 陈亚精

    2011-01-01

    Objective: To set up a new monitoring methodology to simultaneously determine the content of the five preservatives contained in herbal tea by applying a HPLC.Method: The sample is to go through SPE purification and separation by chromatographic column ODS-C18;20 mmoL ammonium acetate and acetonitrile are the mobile phases;and gradient elution is adopted on the sample.Result: The five preservatives can be completely separated,with the linearity range within 8~200 μg/mL,the recovery rate between 88.9 % and 110.8 %,and RSD between 1.18 % and 6.82 %(n=6).Minimum detectability are separately: 2.66×10-4,3.36×10-4,7.36×10-4,3.88×10-4 and 3.12×10-4mg/kg;while LOQ are 1.33×10-3,1.68×10-3,3.68×10-3,1.94×10-3,1.56×10-3mg/kg respectively.Conclusion: The disturbance from the mass of impurities can be nicely removed by the selection and optimization of samples before the proceeding of the determination procedure.The methodology is able to satisfy the requirements of simultaneously determining benzoic acid,sorbic acid,emthyl,ethyl and propyl parabenzoic acid in herbal tea;it was worthy of popularization;and it can be taken as a reference for the supervision of content limitation on preservatives contained in Chinese traditional medicine mixture or herbal tea for children.%目的:建立一种应用高效液相色谱法同时测定中草药凉茶中五种防腐剂含量的新监测方法。方法:样品经ODS-C18层析柱固相萃取净化、分离,20 mmoL乙酸铵与乙腈为流动相,进行梯度洗脱。结果:可将五种防腐剂完全分离,在8~200μg/mL线性范围内(r均大于0.9999),回收率在88.9%~110.8%之间,RSD在1.18%~6.82%之间(n=6)。最低检出限分别为:2.66×10-4、3.36×10-4、7.36×10-4、3.88×10-4、3.12×10-4 mg/kg;最低定量限分别为:1.33×10-3、1.68×10-3、3.68×10-3、1.94×10-3、1.56×10-3 mg/kg。结论:通过对样品前处理条件的选择和优化,能较好地除去大部分杂质

  16. Crystal structures of three anhydrous salts of the Lewis base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU with the ring-substituted benzoic acid analogues 4-aminobenzoic acid, 3,5-dinitrobenzoic acid and 3,5-dinitrosalicylic acid

    Directory of Open Access Journals (Sweden)

    Graham Smith

    2016-03-01

    Full Text Available The anhydrous salts of the Lewis base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU with 4-aminobenzoic acid [1-aza-8-azoniabicyclo[5.4.0]undec-7-ene 4-aminobenzoate, C9H17N2+·C7H6NO2− (I], 3,5-dinitrobenzoic acid [1-aza-8-azoniabicyclo[5.4.0]undec-7-ene 3,5-dinitrobenzoate, C9H17N2+·C7H3N2O6−, (II] and 3,5-dinitrosalicylic acid (DNSA [1-aza-8-azoniabicyclo[5.4.0]undec-7-ene 2-hydroxy-3,5-dinitrobenzoate, C9H17N2+·C7H3N2O7−, (III] have been determined and their hydrogen-bonded structures are described. In both (II and (III, the DBU cations have a common disorder in three of the C atoms of the six-membered ring moieties [site-occupancy factors (SOF = 0.735 (3/0.265 (3 and 0.686 (4/0.314 (4, respectively], while in (III, there is additional rotational disorder in the DNSA anion, giving two sites (SOF = 0.72/0.28, values fixed for the phenol group. In the crystals of (I and (III, the cation–anion pairs are linked through a primary N—H...Ocarboxyl hydrogen bond [2.665 (2 and 2.869 (3 Å, respectively]. In (II, the ion pairs are linked through an asymmetric three-centre R12(4, N—H...O,O′ chelate association. In (I, structure extension is through amine N—H...Ocarboxyl hydrogen bonds between the PABA anions, giving a three-dimensional structure. The crystal structures of (II and (III are very similar, the cation–anion pairs being associated only through weak C—H...O hydrogen bonds, giving in both overall two-dimensional layered structures lying parallel to (001. No π–π ring associations are present in any of the structures.

  17. 4-(2-Iodobenzenesulfonamido)benzoic acid monohydrate

    OpenAIRE

    Muhammad Shafiq; Waseeq Ahmad Siddiqui; Islam Ullah Khan; M. Nawaz Tahir; Muhammad Nadeem Arshad

    2009-01-01

    In the molecule of the title compound, C13H10INO4S·H2O, the coordination around the S atom is distorted tetrahedral. The aromatic rings are oriented at a dihedral angle of 74.18 (17)°. Intramolecular C—H...O hydrogen bonds result in the formation of non-planar five- and six-membered rings, which adopt envelope and twist conformations, respectively. In the crystal structure, intermolecular N—H...O, O—H...O and C—H...O hydrogen bonds link the molecules. &...

  18. 2-{4-[Acetyl(ethyl)amino]benzenesulfonamido}benzoic acid

    OpenAIRE

    Ghulam Mustafa; Islam Ullah Khan; Farhan Mehmood Khan; Mehmet Akkurt

    2012-01-01

    In the title compound, C17H18N2O5S, the dihedral angle between the aromatic rings is 68.59 (10)° and the C—S—N—C torsion angle is −81.84 (18)°. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond, generating an S(6) ring. In the crystal, molecules are linked by C—H...O and O—H...O hydrogen bonds into a three-dimensional network.

  19. 4-Benzene­sulfonamido­benzoic acid

    OpenAIRE

    Sharif, Hafiz Muhammad Adeel; Dong, Gui-Ying; Arshad, Muhammad Nadeem; Khan, Islam Ullah

    2009-01-01

    In the mol­ecule of the title sulfonamide compound, C13H11NO4S, the dihedral angle between the planes of the benzene ring and the carboxyl substituent group is 6.7 (4)°. The two aromatic rings are inclined at 45.36 (15)° to one another. In the crystal, adjacent mol­ecules are linked via classical inter­molecular N—H⋯O and O—H⋯O, and non-classical C—H⋯O hydrogen bonds, which stabilize the crystal structure.

  20. 4-Benzene­sulfonamido­benzoic acid

    Science.gov (United States)

    Sharif, Hafiz Muhammad Adeel; Dong, Gui-Ying; Arshad, Muhammad Nadeem; Khan, Islam Ullah

    2009-01-01

    In the mol­ecule of the title sulfonamide compound, C13H11NO4S, the dihedral angle between the planes of the benzene ring and the carboxyl substituent group is 6.7 (4)°. The two aromatic rings are inclined at 45.36 (15)° to one another. In the crystal, adjacent mol­ecules are linked via classical inter­molecular N—H⋯O and O—H⋯O, and non-classical C—H⋯O hydrogen bonds, which stabilize the crystal structure. PMID:21578816

  1. Crystal structure of 4-[(E-(2-carbamothioylhydrazinylidenemethyl]benzoic acid

    Directory of Open Access Journals (Sweden)

    Muhammad Nawaz Tahir

    2015-10-01

    Full Text Available The title compound, C9H9N3O2S, is close to planar with an r.m.s. deviation of 0.032 Å. An intramolecular N—H...N hydrogen bond closes an S(5 ring. In the crystal, molecules are connected into inversion dimers of the R22(8 type by pairs of O—H...O interactions. The dimers are further connected by pairs of N—H...S interactions, which also complete R22(8 ring motifs. The chains of dimers are cross-linked by N—H...O bonds and hence R42(28 rings are completed. Taken together, these interactions lead to infinite sheets propagating in the (122 plane.

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

    Institute of Scientific and Technical Information of China (English)

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

    2016-01-01

    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.

  3. Investigation of the formation of benzoyl peroxide, benzoic anhydride, and other potential aerosol products from gas-phase reactions of benzoylperoxy radicals

    Science.gov (United States)

    Strollo, Christen M.; Ziemann, Paul J.

    2016-04-01

    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.

  4. Synthesis and antibacterial activity of some Schiff bases derived from 4-aminobenzoic acid

    Directory of Open Access Journals (Sweden)

    JIGNA PAREKH

    2005-10-01

    Full Text Available The following Schiff bases have been synthesized: (1 4-[(2-chlorobenzylidene amino]benzoic acid [JP1], (2 4-[(furan-2-ylmethyleneamino]benzoic acid [JP2], (3 4-[(3-phenylallylideneamino]benzoic acid [JP3], (4 4-[(2-hydroxybenzylidene amino]benzoic acid [JP4], (5 4-[(4-hydroxy-3-methoxybenzylideneamino]benzoic acid [JP5] and (6 4-[(3-nitrobenzylideneamino]benzoic acid [JP6]. They were screened as potential antibacterial agents against a number of medically important bacterial strains. The antibacterial activity was studied against A. faecalis ATCC 8750, E. aerogenes ATCC 13048, E. coli ATCC 25922, K. pneumoniae NCIM 2719, S. aureus ATCC 25923, P. vulgaris NCIM 8313, P. aeruginosa ATCC 27853 and S. typhimurium ATCC 23564. The antibacterial activity was evaluated using the Agar Ditch method. The solvents used were 1,4-dioxane and dimethyl sulfoxide. Different effects of the compounds were found in the bacterial strains investigated and the solvents used, suggesting, once again, that the antibacterial activity is dependent on the molecular structure of the compound, the solvent used and the bacterial strain under consideration. In the present work, 1,4-dioxane proved to be a good solvent in inhibiting the above stated bacterial strains.

  5. Breeding Vegetables with Increased Content in Bioactive Phenolic Acids

    OpenAIRE

    Prashant Kaushik; Isabel Andújar; Santiago Vilanova; Mariola Plazas; Pietro Gramazio; Francisco Javier Herraiz; Navjot Singh Brar; Jaime Prohens

    2015-01-01

    Vegetables represent a major source of phenolic acids, powerful antioxidants characterized by an organic carboxylic acid function and which present multiple properties beneficial for human health. In consequence, developing new varieties with enhanced content in phenolic acids is an increasingly important breeding objective. Major phenolic acids present in vegetables are derivatives of cinnamic acid and to a lesser extent of benzoic acid. A large diversity in phenolic acids content has been f...

  6. 4-Chloro-2,3,5-trifluorobenzoic Acid

    Directory of Open Access Journals (Sweden)

    Shuitao Yu

    2015-11-01

    Full Text Available A new tetrahalogenated benzoic acid 4-chloro-2,3,5-trifluorobenzoic acid was synthesized from methyl 2,3,4,5-tetrafluorobenzoate via three steps. The structure of the newly synthesized compound was established by FTIR, NMR, MS and elemental analysis.

  7. 2,3,4,5-Tetra­fluoro­benzoic acid–4,4′-bipyridine (2/1)

    OpenAIRE

    Zhu, Xiaohui

    2009-01-01

    The asymmetric unit of the title compound, 2C7H2F4O2·C10H8N2, contains one mol­ecule of 2,3,4,5-tetra­fluoro­benzoic acid (tfb) and half of a centrosymmetric 4,4′-bipyridine mol­ecule. Inter­molecular O—H⋯N hydrogen bonds link two tfb mol­ecules and one 4,4′-bipyridine mol­ecule into a trimer. Weak inter­molecular C—H⋯F inter­actions assemble these trimers into a three-dimensional network structure.

  8. Investigation of the Effect of Four Organic Acids in Radix Isatidis on E. coli Growth by Microcalorimetry

    Institute of Scientific and Technical Information of China (English)

    KONG,Wei-Jun; ZHAO,Yan-Ling; SHAN,Li-Mei; XIAO,Xiao-He; GUO,Wei-Ying

    2008-01-01

    The inhibitory effects of four organic acids (OAs) in Radix Isatidis, a traditional Chinese medicinal herb, on Escherichia coli (E.coli) growth were investigated by microcalorimetry. The power-time curves of E. coli growth with and without OAs were acquired, meanwhile the extent and duration of inhibitory effects on the metabolism were evaluated by growth rate constants (k1, k2), half inhibitory ratio (IC50), maximum heat output (Pmax) and peak time (tp). The values of k1 and k2 of E. coli growth in the presence of the four OAs decreased with the increasing concentrations of OAs. Moreover, Pmax was reduced and the value of tp increased with increasing concentrations of the four drugs. The sequence of anti-microbial activity of the four OAs was: syringic acid>2-amino-benzoic acid>salicylic acid>benzoic acid. IC50 of the four OAs was respectively 56 μg/mL for syringic acid, 75 μg/mL for 2-amino-benzoic acid, 86 μg/mL for salicylic acid and 224 μg/mL for benzoic acid. The existence of the functional groups on phenyl ring improves the anti-microbial activity compared to benzoic acid. The functional groups methoxyl at C(3) and C(5) improve anti-microbial activity more strongly than the other functional groups, and the functional group amino at C(2) improve anti-microbial activity more strongly than hydroxyl at C(2) on phenyl ring.

  9. 4-{5-[(2-Bromobenzylsulfanyl]-1H-tetrazol-1-yl}benzoic acid

    Directory of Open Access Journals (Sweden)

    Ana C. Mafud

    2013-07-01

    Full Text Available In the title compound, C15H11BrN4O2S, the tetrazole ring makes dihedral angles of 45.97 (10 and 75.41 (1°, respectively, with the benzoyl and bromobenzene rings while the dihedral angle between the benzene rings is 73.77 (1°. In the crystal, molecules are linked through O—H... N and C—H... O hydrogen bonds, giving infinite chains in both the [110] and [1-10] directions. These chains are further connected by C—Br...π and C—O...π interactions and also by π–π stacking between tetrazole rings [centroid–centroid distance = 3.312 (1 Å], generating a three-dimensional network.

  10. Antibacterial mono- and sesquiterpene esters of benzoic acids from Iranian propolis

    OpenAIRE

    Daneshmand Ali; Najdenski Hristo; Ninova Mariana; Todorov Ivelin; Trusheva Boryana; Bankova Vassya

    2010-01-01

    Abstract Background Propolis (bee glue) has been used as a remedy since ancient times. Propolis from unexplored regions attracts the attention of scientists in the search for new bioactive molecules. Results From Iranian propolis from the Isfahan province, five individual components were isolated: the prenylated coumarin suberosin 1, and four terpene esters: tschimgin (bornyl p-hydroxybenzoate) 2, tschimganin (bornyl vanillate) 3, ferutinin (ferutinol p-hydroxybenzoate) 4, and tefernin (ferut...

  11. 4-(4-Meth­oxy­benzene­sulfonamido)­benzoic acid

    Science.gov (United States)

    Khan, Islam Ullah; Mustafa, Ghulam; Akkurt, Mehmet

    2011-01-01

    The asymmetric unit of the title compound, C14H13NO5S, contains two independent mol­ecules in which the dihedral angles between the aromatic rings are 83.45 (11) and 86.65 (9)°. In the crystal, the independent mol­ecules are connected by N—H⋯O and O—H⋯O hydrogen bonds, forming a double-chain structure along [401]. A weak π–π stacking inter­action with a centroid–centroid distance of 3.7509 (13) Å and C—H⋯O hydrogen bonds are also observed. PMID:21837222

  12. 4-(4-Meth­oxy­benzene­sulfonamido)­benzoic acid

    OpenAIRE

    Khan, Islam Ullah; Mustafa, Ghulam; Akkurt, Mehmet

    2011-01-01

    The asymmetric unit of the title compound, C14H13NO5S, contains two independent mol­ecules in which the dihedral angles between the aromatic rings are 83.45 (11) and 86.65 (9)°. In the crystal, the independent mol­ecules are connected by N—H⋯O and O—H⋯O hydrogen bonds, forming a double-chain structure along [401]. A weak π–π stacking inter­action with a centroid–centroid distance of 3.7509 (13) Å and C—H⋯O hydrogen bonds are also observed.

  13. 2-Chloro-5-(2-iodo­benzene­sulfonamido)­benzoic acid

    Science.gov (United States)

    Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Siddiqui, Waseeq Ahmad; Shafiq, Muhammad

    2009-01-01

    In the mol­ecule of the title compound, C13H9ClINO4S, the coordination around the S atom is distorted tetra­hedral. The aromatic rings are oriented at a dihedral angle of 74.46 (9)°. Intra­molecular C—H⋯O hydrogen bonds result in the formation of two five- and one six-membered rings, which adopt planar, envelope and twisted conformations, respectively. In the crystal structure, inter­molecular N—H⋯O and O—H⋯O hydrogen bonds link the mol­ecules to form R 2 2(8) ring motifs, which are further linked by C—H⋯O hydrogen bonds. π–π contacts between the benzene rings [centroid–centroid distances = 3.709 (3) and 3.772 (3) Å] may further stabilize the structure. The I atom is disordered over two positions, refined with occupancies of ca 0.75 and 0.25. PMID:21581894

  14. 5-Benzene­sulfonamido-2-chloro­benzoic acid

    OpenAIRE

    Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad; Sharif, Hafiz Muhammad Adeel

    2009-01-01

    In the title compound, C13H10ClNO4S, the dihedral angle between the aromatic ring planes is 87.07 (6)° and an intra­molecular C—H⋯O inter­action occurs. In the crystal, inversion dimers linked by two O—H⋯O hydrogen bonds arise from the carboxyl groups. N—H⋯O hydrogen bonds link the dimers into chains and short C—Cl⋯π and S—O⋯π contacts are also seen.

  15. 5-Benzene­sulfonamido-2-chloro­benzoic acid

    Science.gov (United States)

    Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad; Sharif, Hafiz Muhammad Adeel

    2009-01-01

    In the title compound, C13H10ClNO4S, the dihedral angle between the aromatic ring planes is 87.07 (6)° and an intra­molecular C—H⋯O inter­action occurs. In the crystal, inversion dimers linked by two O—H⋯O hydrogen bonds arise from the carboxyl groups. N—H⋯O hydrogen bonds link the dimers into chains and short C—Cl⋯π and S—O⋯π contacts are also seen. PMID:21582551

  16. 2-Chloro-4-(2-iodo­benzene­sulfonamido)­benzoic acid

    Science.gov (United States)

    Arshad, Muhammad Nadeem; Khan, Islam Ullah; Rafique, H. M.; Asiri, Abdullah M.; Shafiq, Muhammad

    2011-01-01

    In the title compound, C13H9ClINO4S, the dihedral angle between the aromatic rings is 81.04 (17)°. The disposition of the I and Cl atoms attached to the two rings is anti. In the crystal, mol­ecules are connected via O—H⋯O and N—H⋯O hydrogen bonds. PMID:21754724

  17. 2-Chloro-5-(2-iodo­benzene­sulfonamido)­benzoic acid

    OpenAIRE

    Muhammad Shafiq; Waseeq Ahmad Siddiqui; Islam Ullah Khan; M. Nawaz Tahir; Muhammad Nadeem Arshad

    2009-01-01

    In the molecule of the title compound, C13H9ClINO4S, the coordination around the S atom is distorted tetrahedral. The aromatic rings are oriented at a dihedral angle of 74.46 (9)°. Intramolecular C—H...O hydrogen bonds result in the formation of two five- and one six-membered rings, which adopt planar, envelope and twisted conformations, respectively. In the crystal structure, intermolecular N—H...O and O—H...O hydrogen bonds link the molecules to form R22(8) ring...

  18. 2-(4-Acetamido­benzene­sulfonamido)­benzoic acid

    Science.gov (United States)

    Sharif, Shahzad; Khan, Islam Ullah; Mahmood, Tariq; Kang, Sung Kwon

    2011-01-01

    In the title compound, C15H14N2O5S, two similar mol­ecules comprise the asymmetric unit, which are linked by strong inter­molecular C—H⋯π inter­actions. Both mol­ecules are bent, with dihedral angles of 71.94 (16) and 74.62 (15)° between the benzene rings. An intra­molecular N—H⋯O hydrogen bond occurs in each mol­ecule. In the crystal, inter­molecular N—H⋯O and O—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. PMID:21836982

  19. 2-(4-Bromo­benzene­sulfonamido)benzoic acid

    Science.gov (United States)

    Arshad, Muhammad Nadeem; Khan, Islam Ullah; Akkurt, Mehmet; Shafiq, Muhammad; Mustafa, Ghulam

    2009-01-01

    In the title compound, C13H10BrNO4S, the dihedral angle between the benzene rings is 82.75 (15)°. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, two mol­ecules form an R 2 2(8) centrosymmetric dimer through a pair of O—H⋯O hydrogen bonds. Intra- and inter­molecular C—H⋯O hydrogen bonds are also observed. PMID:21582883

  20. 2-Chloro-4-(2-iodo­benzene­sulfonamido)­benzoic acid

    OpenAIRE

    Muhammad Nadeem Arshad; Islam Ullah Khan; Rafique, H. M.; Asiri, Abdullah M.; Muhammad Shafiq

    2011-01-01

    In the title compound, C13H9ClINO4S, the dihedral angle between the aromatic rings is 81.04 (17)°. The disposition of the I and Cl atoms attached to the two rings is anti. In the crystal, molecules are connected via O—H...O and N—H...O hydrogen bonds.

  1. 4-(2-Iodo­benzene­sulfonamido)benzoic acid monohydrate

    Science.gov (United States)

    Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Siddiqui, Waseeq Ahmad; Shafiq, Muhammad

    2009-01-01

    In the mol­ecule of the title compound, C13H10INO4S·H2O, the coordination around the S atom is distorted tetra­hedral. The aromatic rings are oriented at a dihedral angle of 74.18 (17)°. Intra­molecular C—H⋯O hydrogen bonds result in the formation of non-planar five- and six-membered rings, which adopt envelope and twist conformations, respectively. In the crystal structure, inter­molecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules. π–π Contacts between the phenyl rings [centroid–centroid distance = 3.726 (3) Å] may further stabilize the structure. There is also a C—H⋯π inter­action. PMID:21581847

  2. Orthorhombic polymorph of 4-[(1H-benzimidazol-1-ylmethyl]benzoic acid

    Directory of Open Access Journals (Sweden)

    Hai-Wei Kuai

    2011-11-01

    Full Text Available We reported recently the first polymorph of the title compound [Kuai & Cheng (2011a. Acta Cryst., E67, o2787]. A second polymorph of the title compound, C15H12N2O2, was unexpectedly obtained by the hydrothermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.015 (2 Å. The benzimidazole and benzene rings are inclined at a dihedral angle of 79.00 (1°. In the crystal, adjacent molecules are connected through O—H...N hydrogen bonds into a one-dimensional chain along the [001] direction.

  3. 2-Methyl­amino-5-nitro­benzoic acid

    OpenAIRE

    Raza, Abdul Rauf; Rubab, Syeda Laila; Tahir, M. Nawaz

    2010-01-01

    The title compound, C8H8N2O4, is almost planar (r.m.s. deviation = 0.037 Å) and an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R 2 2(8) loops. Inter­molecular N—H⋯O hydrogen bonds (involving the same H atom that forms the intra­molecular hydrogen bond) link the dimers into infinite sheets lying parallel to (102).

  4. Determination of Aspartame, Caffeine, Saccharin, and Benzoic Acid in Beverages by High Performance Liquid Chromatography.

    Science.gov (United States)

    Delaney, Michael F.; And Others

    1985-01-01

    Describes a simple and reliable new quantitative analysis experiment using liquid chromatography for the determinaiton of caffeine, saccharin, and sodium benzoate in beverages. Background information, procedures used, and typical results obtained are provided. (JN)

  5. Thermodynamic properties of the methyl esters of p-hydroxy and p-methoxy benzoic acids

    International Nuclear Information System (INIS)

    Highlights: • Vapor pressures and energies of combustion of two methyl benzoates were measured. • Standard molar ΔH, ΔS and ΔG of sublimation and vaporization were derived. • Standard molar ΔH, ΔS and ΔG of formation in crystal and gas phases were calculated. • Gas phase ΔH of formation was also estimated by quantum chemical calculations. • ΔH of the intermolecular hydrogen bond O–H⋯O was estimated. - Abstract: The vapor pressures of crystalline and liquid phases of methyl p-hydroxybenzoate and of methyl p-methoxybenzoate were measured over the temperature ranges (338.9 to 423.7) K and (292.0 to 355.7) K respectively, using a static method based on diaphragm capacitance gauges. The vapor pressures of the crystalline phase of the former compound were also measured in the temperature range (323.1 to 345.2) K using a Knudsen mass-loss effusion technique. The results enabled the determination of the standard molar enthalpies, entropies and Gibbs free energies of sublimation and of vaporization, at T = 298.15 K, as well as phase diagram representations of the (p, T) experimental data, including the triple point. The temperatures and molar enthalpies of fusion of both compounds were determined using differential scanning calorimetry and were compared with the results indirectly derived from the vapor pressure measurements. The standard (p° = 105 Pa) molar enthalpies of formation, in the crystalline phase, at T = 298.15 K, of the compounds studied were derived from their standard massic energies of combustion measured by static-bomb combustion calorimetry. From the experimental results, the standard molar enthalpies of formation, in the gaseous phase at T = 298.15 K, were calculated and compared with the values estimated by employing quantum chemical computational calculations. A good agreement between experimental and theoretical results is observed. To analyze the thermodynamic stability of the two compounds studied, the standard Gibbs free energies of formation in crystalline and gaseous phases were undertaken. The standard molar enthalpies of formation of the title compounds were also estimated from two different computational approaches using density functional theory-based B3LYP and the multilevel G3 methodologies

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

    DEFF Research Database (Denmark)

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

    2010-01-01

    ) source in diets for pigs on urine acidification and mineral metabolism. Twenty-four 45 kg pigs in a 2 × 2 factorial design were fed one of 4 diets, containing 0 or 2% BA and a low or high dietary S level provided through diet supplementation of 0 or 1% Met. The pigs were placed in metabolic cages for a 5...

  7. Antibacterial mono- and sesquiterpene esters of benzoic acids from Iranian propolis

    Directory of Open Access Journals (Sweden)

    Daneshmand Ali

    2010-03-01

    Full Text Available Abstract Background Propolis (bee glue has been used as a remedy since ancient times. Propolis from unexplored regions attracts the attention of scientists in the search for new bioactive molecules. Results From Iranian propolis from the Isfahan province, five individual components were isolated: the prenylated coumarin suberosin 1, and four terpene esters: tschimgin (bornyl p-hydroxybenzoate 2, tschimganin (bornyl vanillate 3, ferutinin (ferutinol p-hydroxybenzoate 4, and tefernin (ferutinol vanillate 5. All of them were found for the first time in propolis. Compounds 2 - 5 demonstrated activity against Staphylococcus aureus. Conclusions The results of the present study are consistent with the idea that propolis from unexplored regions is a promising source of biologically active compounds.

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

    OpenAIRE

    André Brisolari; Débora Gonçalves

    2014-01-01

    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 dif...

  9. Uptake of triclopyr (3,5,6-trichloro-2-pyridinyloxyacetic acid) and dicamba (3,6-dichloro-2-methoxybenzoic acid) from the apical membranes of the human intestinal Caco-2 cells.

    Science.gov (United States)

    Kimura, Osamu; Tsukagoshi, Kensuke; Hayasaka, Moriaki; Endo, Tetsuya

    2012-01-01

    We investigated whether the uptake of triclopyr (3, 5, 6-trichloro-2-pyridinyloxyacetic acid) and dicamba (3,6-dichloro-2-methoxybenzoic acid) across the apical membrane of Caco-2 cells was mediated via proton-linked monocarboxylic acid transporters (MCTs). The uptake of triclopyr from the apical membranes was fast, pH-, temperature-, and concentration dependent, required metabolic energy to proceed, and was competitively inhibited by monocarboxylic acids such as benzoic acid and ferulic acid (substrates of L-lactic acid-insensitive MCTs), but not by L-lactic acid. Thus, the uptake of triclopyr in Caco-2 cells appears to be mediated mainly via L-lactic acid-insensitive MCTs. In contrast, the uptake of dicamba (a benzoic acid derivative) was slow, and it was both pH- and temperature dependent. Coincubation with ferulic acid did not decrease the uptake of dicamba, although coincubation with benzoic acid moderately decreased it. The uptake of dicamba appears to be mediated mainly via passive diffusion, which is in contrast to the uptake of benzoic acid via MCTs. We speculate that the substituted groups in dicamba may inhibit uptake via MCTs. PMID:21766207

  10. Geometry and conformations of benzenecarboxylic acids

    OpenAIRE

    IVAN GUTMAN; DALIBOR BADJUK; ZORAN MARKOVIC

    2004-01-01

    The geometry, conformations and energy of mono-, di-, and tri-carboxylic derivatives of benzene were studied by means of the AM1 molecular-orbital method. Whereas the species having no carboxylic groups in the ortho-position (benzoic, isophthalic, terephthalic, and trimesic acids) are planar in all their (stable) conformations, those possessing carboxylic groups in the ortho-position (phthalic, 1,2,3-benzenetricarboxylic, and 1,2,4-benzenetricarboxylic acids) assume a non-planar geometry, wit...

  11. Para-hydroxybenzoic acid, a hypoxic radiosensitizer in bacterial cells

    International Nuclear Information System (INIS)

    The effect of different concentrations of p-hydroxy-benzoic acid (pHBA) on the sensitivity of oxic and anoxic buffered suspensions (pH 7.0) of Staphylococcus aureus (NCTC 8236) to 60Co γ-rays has been examined. Slopes of dose-ln survival curves have been used as the criteria for asse

  12. New insights into the acid mediated disproportionation of pentavalent uranyl

    Energy Technology Data Exchange (ETDEWEB)

    Mougel, Victor; Biswas, Biplab; Pecaut, Jacques; Mazzanti, Marinella [Laboratoire de Reconnaissance Ionique et Chimie de Coordination, SCIB, UMR-E 3 CEA-UJF FRE 3200 CNRS, INAC, CEA-Grenoble, 17 rue des Martyrs, 38054 Grenoble Cedex 09 (France)

    2010-07-01

    The reaction of benzoic acid with the uranyl(V) complex [(UO{sub 2}Py{sub 5})(KI{sub 2}Py{sub 2})] in pyridine leads to immediate disproportionation with formation of a hexa-nuclear U(IV) benzoate cluster, a bis-benzoate complex of uranyl(VI) and water. (authors)

  13. Deprotonation of p-Hydroxybenzoic Acid: Does Electrospray Ionization Sample Solution or Gas-Phase Structures?

    Czech Academy of Sciences Publication Activity Database

    Schröder, Detlef; Buděšínský, Miloš; Roithová, J.

    2012-01-01

    Roč. 134, č. 38 (2012), s. 15897-15905. ISSN 0002-7863 Grant ostatní: European Research Council(XE) AdG HORIZOMS Institutional support: RVO:61388963 Keywords : mobility-mass-spectrometry * 4-hydroxybenzoic acid * air/water interfase * DFT calculations * aqueous-solution * benzoic-acids Subject RIV: CC - Organic Chemistry Impact factor: 10.677, year: 2012

  14. Synthesis of -acylurea derivatives from carboxylic acids and ,' -dialkyl carbodiimides in water

    Indian Academy of Sciences (India)

    Ali Ramazani; Fatemeh Zeinali Nasrabadi; Aram Rezaei; Morteza Rouhani; Hamideh Ahankar; Pegah Azimzadeh Asiabi; Sang Woo Joo; Katarzyna Ślepokura; Tadeusz Lis

    2015-12-01

    Reactions of benzoic acid derivatives and ()-cinnamic acid derivatives with , '-dialkyl carbodiimide proceed smoothly at room temperature and in neutral conditions to afford -acylurea derivatives in high yields. The reaction proceeds smoothly and cleanly under mild conditions and no side reactions were observed.

  15. Evaluation of a ferrous benzoic xylenol orange transparent PVA cryogel radiochromic dosimeter

    International Nuclear Information System (INIS)

    A stable cryogel dosimeter was prepared using ferrous benzoic xylenol orange (FBX) in a transparent poly-(vinyl alcohol) (PVA) cryogel matrix. Dose response was evaluated for different numbers of freeze–thaw cycles (FTCs), different concentrations of PVA, and ratios of water/dimethyl sulfoxide. Linear relationships between dose and absorbance were obtained in the range of 0–1000 cGy for all formulations. Increasing the concentration of PVA and number of FTCs resulted in increased absorbance and sensitivity. The effects of energy and dose rate were also evaluated. No significant dose rate dependence was observed over the range 1.05 to 6.33 Gy min−1. No energy response was observed over photon energies of 6, 10, and 18 MV. (paper)

  16. Identification of Phenolic Acids and Flavonoids in Monofloral Honey from Bangladesh by High Performance Liquid Chromatography: Determination of Antioxidant Capacity

    OpenAIRE

    2014-01-01

    The aim of the present study was to characterize the phenolic acids, flavonoids, and antioxidant properties of monofloral honey collected from five different districts in Bangladesh. A new high performance liquid chromatography (HPLC) equipped with a UV detector method was developed for the identification of the phenolic acids and flavonoids. A total of five different phenolic acids were identified, with the most abundant being caffeic acid, benzoic acid, gallic acid, followed by chlorogenic ...

  17. Effects of Phenolic Acids on Growth and Activities of Membrane Protective Enzymes of Cucumber Seedlings

    Institute of Scientific and Technical Information of China (English)

    WU Feng-zhi; HUANG Cai-hong; ZHAO Feng-yan

    2002-01-01

    Two phenolic acids P-hydroxy benzoic acid and cinnamic acid were designated as four concentrations (0, 50μmol/L, 100μmol/L, 150μmol/L) to investigate the effects of phenoic acids on the growth and the activities of membrane protective enzymes of cucumber seedlings. The results showed that both phenolic acids inhibited the seedlings growth. The inhibitory effects were increased with the concentration of phenolic acids increasing and the time of treatment prolonging. Seedlings treated with A150 (P-hydroxy benzoic acid, 150μmol/L), B50 (cinnamic acid, 50 μmol/L), B100 (cinnamic acid,100μmol/L), B150 (cinnamic acid, 150μmol/L) showed significantly shorter in plant height , smaller in leaf area. and lighter in fresh weight. The inhibitory effect of cinnamic acid was comparatively stronger than that of P-hydroxy benzoic acid. For protective enzymes system, compared to control, the POD activity increased at all concentrations of P-hydroxy benzoic acid during the treatment but increased at first then decreased before increased again at last at all concentrations of cinnamic acid . In the case of CAT, its activity increased at first, then decreased, and increased again at lower concentrations of phenolic acids. However, at higher concentrations the activities decreased at first, then increased a little, decreased continuously at last. In addition, the treatments of phenolic acids led to an increase then a decreaseof SOD activity and an increase of MDA content in the seedlings. All above indicated the accumulating of free radicalsand destruction of protective enzymes at higher concentrations of phenolic acids.

  18. Interactions between cranberries and fungi: the proposed function of organic acids in virulence suppression of fruit rot fungi.

    Science.gov (United States)

    Tadych, Mariusz; Vorsa, Nicholi; Wang, Yifei; Bergen, Marshall S; Johnson-Cicalese, Jennifer; Polashock, James J; White, James F

    2015-01-01

    Cranberry fruit are a rich source of bioactive compounds that may function as constitutive or inducible barriers against rot-inducing fungi. The content and composition of these compounds change as the season progresses. Several necrotrophic fungi cause cranberry fruit rot disease complex. These fungi remain mostly asymptomatic until the fruit begins to mature in late August. Temporal fluctuations and quantitative differences in selected organic acid profiles between fruit of six cranberry genotypes during the growing season were observed. The concentration of benzoic acid in fruit increased while quinic acid decreased throughout fruit development. In general, more rot-resistant genotypes (RR) showed higher levels of benzoic acid early in fruit development and more gradual decline in quinic acid levels than that observed in the more rot-susceptible genotypes. We evaluated antifungal activities of selected cranberry constituents and found that most bioactive compounds either had no effects or stimulated growth or reactive oxygen species (ROS) secretion of four tested cranberry fruit rot fungi, while benzoic acid and quinic acid reduced growth and suppressed secretion of ROS by these fungi. We propose that variation in the levels of ROS suppressive compounds, such as benzoic and quinic acids, may influence virulence by the fruit rot fungi. Selection for crops that maintain high levels of virulence suppressive compounds could yield new disease resistant varieties. This could represent a new strategy for control of disease caused by necrotrophic pathogens that exhibit a latent or endophytic phase. PMID:26322038

  19. Interactions between cranberries and fungi: the proposed function of organic acids in virulence suppression of fruit rot fungi

    Directory of Open Access Journals (Sweden)

    Mariusz eTadych

    2015-08-01

    Full Text Available Cranberry fruit are a rich source of bioactive compounds that may function as constitutive or inducible barriers against rot-inducing fungi. The content and composition of these compounds change as the season progresses. Several necrotrophic fungi cause cranberry fruit rot disease complex. These fungi remain mostly asymptomatic until the fruit begins to mature in late August. Temporal fluctuations and quantitative differences in selected organic acid profiles between fruit of six cranberry genotypes during the growing season were observed. The concentration of benzoic acid in fruit increased while quinic acid decreased throughout fruit development. In general, more rot-resistant genotypes showed higher levels of benzoic acid early in fruit development and more gradual decline in quinic acid levels than that observed in the more rot-susceptible genotypes. We evaluated antifungal activities of selected cranberry constituents and found that most bioactive compounds either had no effects or stimulated growth or reactive oxygen species (ROS secretion of four tested cranberry fruit rot fungi, while benzoic acid and quinic acid reduced growth and suppressed secretion of ROS by these fungi. We propose that variation in the levels of ROS suppressive compounds, such as benzoic and quinic acids, may influence virulence by the fruit rot fungi. Selection for crops that maintain high levels of virulence suppressive compounds could yield new disease resistant varieties. This could represent a new strategy for control of disease caused by necrotrophic pathogens that exhibit a latent or endophytic phase.

  20. Metabolism of sinapic acid and related compounds in the rat.

    Science.gov (United States)

    Griffiths, L A

    1969-07-01

    1. Administration of sinapic acid to the rat results in the excretion of 3-hydroxy-5-methoxyphenylpropionic acid, dihydrosinapic acid, 3-hydroxy-5-methoxycinnamic acid and unchanged sinapic acid in the urine. The sinapic acid conjugate sinalbin is also catabolized to free sinapic acid and 3-hydroxy-5-methoxyphenylpropionic acid in the rat. 2. 3,4,5-Trimethoxycinnamic acid is metabolized in part to sinapic acid and 3-hydroxy-5-methoxyphenylpropionic acid. 3. 3,5-Dimethoxycinnamic acid is metabolized to 3-hydroxy-5-methoxycinnamic acid and 3-hydroxy-5-methoxyphenylpropionic acid. 4. The metabolic interrelationships of these compounds were studied by the administration of intermediates and a metabolic pathway is proposed. 5. The metabolism of the corresponding benzoic acids was studied, but these compounds and their metabolites were shown not to be intermediates or products of the metabolism of the related cinnamic acids. PMID:5386182

  1. Chlorination of Taurine by Human Neutrophils: EVIDENCE FOR HYPOCHLOROUS ACID GENERATION

    OpenAIRE

    Weiss, Stephen J; Klein, Roger; Slivka, Adam; Wei, Maria

    1982-01-01

    The model hydrogen peroxide-myeloperoxidase-chloride system is capable of generating the powerful oxidant hypochlorous acid, which can be quantitated by trapping the generated species with the β-amino acid, taurine. The resultant stable product, taurine chloramine, can be quantitated by its ability to oxidize the sulfhydryl compound, 5-thio-2-nitro-benzoic acid to the disulfide, 5,5′-dithiobis(2-nitroben-zoic acid) or to oxidize iodide to iodine. Using this system, purified myeloperoxidase in...

  2. Reactivity of H atoms and hydrated electrons with chlorobenzoic acids

    DEFF Research Database (Denmark)

    Zona, R.; Solar, S.; Getoff, N.; Sehested, Knud; Holcman, Jerzy

    2008-01-01

    k = (3.5-6) x 10(8) dm(3) Mol(-1) S-1. By reduction with e(-)(aq) fragmentation and chloride release was established for 2- and 4-chlorobenzoic acid, for 3-chlorobenzoic acid the addition of electrons to the carboxylate group was observed by pulse radiolysis. By gamma radiolysis could be proved that...... these radical anions undergo intramolecular electron transfer and quantitave dechlorination. The efficiency in degradation was 4-chlorobenzoic acid > 3-chlorobenzoic acid > 2-chlorobenzoic acid. Benzoic acid was found as final product for all substrates....

  3. Geometry and conformations of benzenecarboxylic acids

    Directory of Open Access Journals (Sweden)

    IVAN GUTMAN

    2004-11-01

    Full Text Available The geometry, conformations and energy of mono-, di-, and tri-carboxylic derivatives of benzene were studied by means of the AM1 molecular-orbital method. Whereas the species having no carboxylic groups in the ortho-position (benzoic, isophthalic, terephthalic, and trimesic acids are planar in all their (stable conformations, those possessing carboxylic groups in the ortho-position (phthalic, 1,2,3-benzenetricarboxylic, and 1,2,4-benzenetricarboxylic acids assume a non-planar geometry, with one carboxyl group almost orthogonal to the plane of the benzene ring. Various rotamers of each of the studied benzenecarboxylic acids have nearly the same energy.

  4. Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea

    Science.gov (United States)

    Przybyłek, Maciej; Ziółkowska, Dorota; Kobierski, Mirosław; Mroczyńska, Karina; Cysewski, Piotr

    2016-01-01

    The possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first stage cocrystal screening. Additionally, the application of orientation effect to cocrystal screening simplifies the analysis due to damping of majority of diffraction signals coming from coformers. During validation phase the proposed approach successfully reproduced both positive cases of cocrystallization (urea:salicylic acid and urea:4-hydroxy benzoic acid) as well as pairs of co-formers immiscible in the solid state (urea:benzoic acid and urea:acetylsalicylic acids). Based on validated approach new cocrystals of urea were identified in complexes with 3-hydroxybenzoic acid, 2,4-dihydroxybenzoic acid, 2,5-dihydroxybenzoic acid, 2,6-dihydroxybenzoic acid and 3,5-dihydroxybenzoic acid. In all cases formation of multicomponent crystal phase was confirmed by the appearance of new reflexes on the diffraction patterns and FTIR absorption band shifts of O-H and N-H groups.

  5. Protein and ligand adaptation in a retinoic acid binding protein.

    OpenAIRE

    Pattanayek, R.; Newcomer, M E

    1999-01-01

    A retinoic acid binding protein isolated from the lumen of the rat epididymis (ERABP) is a member of the lipocalin superfamily. ERABP binds both the all-trans and 9-cis isomers of retinoic acid, as well as the synthetic retinoid (E)-4-[2-(5,6,7,8)-tetrahydro-5,5,8,8-tetramethyl-2 napthalenyl-1 propenyl]-benzoic acid (TTNPB), a structural analog of all-trans retinoic acid. The structure of ERABP with a mixture of all-trans and 9-cis retinoic acid has previously been reported. To elucidate any ...

  6. Fourier Transform Infrared and Ultraviolet-Visible Spectroscopic Characterization of Biofield Treated Salicylic Acid and Sparfloxacin

    OpenAIRE

    Mahendra Kumar Trivedi; Gopal Nayak; Dahryn Trivedi; Alice Branton

    2016-01-01

    Salicylic acid is a naturally occurring derivative of benzoic acid, and widely used in organic synthesis and as a plant hormone. Sparfloxacin is fluorinated quinolone antibiotic having broad spectrum antimicrobial property. The present study was aimed to evaluate the impact of biofield treatment on spectral properties of salicylic acid and sparfloxacin using FT-IR and UV-Vis spectroscopic techniques. The study was carried out in two groups, one was set to control, and another was subjected to...

  7. Separation and determination of some carboxylic acids by capillary electrophoresis

    Energy Technology Data Exchange (ETDEWEB)

    Sladkov, V.; Fourest, B

    2006-07-01

    Separation and determination of some organic acids, mono-carboxylic (formic and acetic), dicarboxylic (oxalic and tartaric), tricarboxylic (citric) acids and aromatic acids (phtalic, benzoic, mellitic and trimellitic), by capillary electrophoresis are reviewed. The method development parameters, such as separation and injection mode, are discussed. Special attention is paid to the comparison of different detection types (spectroscopic and electrochemical). The optimisation of the carrier electrolyte composition (choice of carrier electrolyte, effect of pH, ionic strength, electro-osmotic flow modifier) is treated. Different additives (alkali-earth and transition metal ions, cyclodextrins and alcohol), which are often used for improving organic acid separation, are also considered. (authors)

  8. Separation and determination of some carboxylic acids by capillary electrophoresis

    International Nuclear Information System (INIS)

    Separation and determination of some organic acids, mono-carboxylic (formic and acetic), dicarboxylic (oxalic and tartaric), tricarboxylic (citric) acids and aromatic acids (phtalic, benzoic, mellitic and trimellitic), by capillary electrophoresis are reviewed. The method development parameters, such as separation and injection mode, are discussed. Special attention is paid to the comparison of different detection types (spectroscopic and electrochemical). The optimisation of the carrier electrolyte composition (choice of carrier electrolyte, effect of pH, ionic strength, electro-osmotic flow modifier) is treated. Different additives (alkali-earth and transition metal ions, cyclodextrins and alcohol), which are often used for improving organic acid separation, are also considered. (authors)

  9. Thermodynamic properties of isomeric iso-butoxybenzoic acids: Experimental and theoretical study

    International Nuclear Information System (INIS)

    Highlights: • Vapor pressures of butoxy benzoic acid derivatives were measured. • Vaporization, sublimation and fusion enthalpies were derived. • Molar enthalpies of formation were measured by calorimetry. • Thermochemical data tested for consistency using additivity rules and computations. • Simple additivity method suggested for prediction thermochemical properties. - Abstract: Standard (p° = 0.1 MPa) molar enthalpies of formation at the temperature T = 298.15 K of the 2-, 3-, and 4-iso-butoxybenzoic acids were measured using the combustion calorimetry. Standard molar enthalpies of vaporization and sublimation were derived from the vapor pressure temperature dependencies measured by the transpiration method. Molar enthalpies of the solid state phase transitions were measured by the DSC. Thermodynamic data on alkoxy substituted benzoic acids available in the literature were collected and combined with own experimental results. This data set on alkoxybenzoic acids was evaluated by using quantum-chemical and group-additivity methods

  10. Thermodynamic properties of isomeric iso-butoxybenzoic acids: Experimental and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Jakubczyk, Michał; Sporzyński, Andrzej [Faculty of Chemistry, Warsaw University of Technology, 00-664 Warszawa (Poland); Emel’yanenko, Vladimir N.; Varfolomeev, Mikhail A. [Department of Physical Chemistry, Kazan Federal University, 420008 Kazan (Russian Federation); Verevkin, Sergey P., E-mail: sergey.verevkin@uni-rostock.de [Department of Physical Chemistry, Kazan Federal University, 420008 Kazan (Russian Federation); Department of Physical Chemistry and Department, Science and Technology of Life, Light and Matter, University of Rostock, D-18059 Rostock (Germany)

    2015-09-10

    Highlights: • Vapor pressures of butoxy benzoic acid derivatives were measured. • Vaporization, sublimation and fusion enthalpies were derived. • Molar enthalpies of formation were measured by calorimetry. • Thermochemical data tested for consistency using additivity rules and computations. • Simple additivity method suggested for prediction thermochemical properties. - Abstract: Standard (p° = 0.1 MPa) molar enthalpies of formation at the temperature T = 298.15 K of the 2-, 3-, and 4-iso-butoxybenzoic acids were measured using the combustion calorimetry. Standard molar enthalpies of vaporization and sublimation were derived from the vapor pressure temperature dependencies measured by the transpiration method. Molar enthalpies of the solid state phase transitions were measured by the DSC. Thermodynamic data on alkoxy substituted benzoic acids available in the literature were collected and combined with own experimental results. This data set on alkoxybenzoic acids was evaluated by using quantum-chemical and group-additivity methods.

  11. Quantum-chemical study of electronically excited states ofprotolytic forms of vanillic acid

    OpenAIRE

    Vusovich, O. V.; Tchaikovskaya, O. N.; I. V. Sokolova; Vasileva, N. Y.

    2015-01-01

    The paper describes an analysis of possible ways of deactivation of electronically excited states of 4-hydroxy- 3-methoxy-benzoic acid (vanillic acid) and its protolytic forms with the use of quantum-chemical methods INDO/S (intermediate neglect of differential overlap with a spectroscopic parameterization) and MEP (molecular electrostatic potential). The ratio of radiative and non-radiative deactivation channels of the electronic excitation energy is established. The rate constants of photop...

  12. Different self-assembly behaviors of mono-modified β-cyclodextrin substituted by benzoic acid derivatives

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The mono-modified β-cyclodextrin derivative,6-O-(4-aminobenzoyl)-β-cyclodextrin(1) ,was synthesized and characterized. We compared its self-assembling behavior with structurally related β-cyclodextrin derivative,6-O-(4-hydroxybenzoyl)-βcyclodextrin(2) ,in aqueous solution and in the solid state using NMR spectroscopy and single crystal X-ray structure analysis. The two complexes displayed different self-assembling behaviors.Complex 1 formed a head-to-tail helical columnar superstructure in which the substituent group penetrated deeply into the hydrophobic cavity of the adjacent β-cyclodextrin from the second side and aligned along the screw axis,whereas 2 exhibited a channel superstructure with a tail-to-tail dimer as the repeating motif.Further NMR studies in aqueous solution supported the result of the solid state.The influence of substituent groups on the self-assembly behavior was examined in mono-modified β-cyclodextrins by means of substituting an amino group for a hydroxyl group,which indicates that the weak intermolecular interaction is a critical factor in determining the self-assembling behavior.

  13. 2-Chloro-6-(2,3-di­chloro­benzene­sulfonamido)­benzoic acid

    OpenAIRE

    Munir, Ayesha; Mubashar-ur-Rehman, Hafiz; Asiri, Abdullah M.; Khan, Islam Ullah; Arshad, Muhammad Nadeem

    2013-01-01

    In the title compound, C13H8Cl3NO4S, the aromatic rings are oriented at a dihedral angle of 68.94 (1)° and the mol­ecule adopts a V-shape. An intra­molecular N—H⋯O inter­action generates a six-membered S(6) ring motif. In the crystal, pairs of O—H⋯O hydrogen bonds involving the carb­oxy group link the mol­ecules into inversion dimers with an R 2 2(8) motif. N—H⋯O and non-classical C—H⋯O inter­actions connect the mol­ecules, forming sheets propagating in (100).

  14. 4,4′-Bipyridine–4-(p-toluene­sulfonamido)­benzoic acid (1/2)

    Science.gov (United States)

    Huang, Miao-Ling

    2011-01-01

    In the title compound, C14H13NO4S·0.5C10H8N2, the two benzene rings are nearly perpendicular to each other [dihedral angle = 83.21 (10)°]. The bipyridine mol­ecule is centrosymmetric, the mid-point of the C—C bond linking the pyridine rings being located on an inversion center. Inter­molecular N—H⋯O and O—H⋯N hydrogen bonds and weak inter­molecular C—H⋯O hydrogen bonds are present in the crystal structure. PMID:22059045

  15. 2-Chloro-6-(2,3-di­chloro­benzene­sulfonamido)­benzoic acid

    Science.gov (United States)

    Munir, Ayesha; Mubashar-ur-Rehman, Hafiz; Asiri, Abdullah M.; Khan, Islam Ullah; Arshad, Muhammad Nadeem

    2013-01-01

    In the title compound, C13H8Cl3NO4S, the aromatic rings are oriented at a dihedral angle of 68.94 (1)° and the mol­ecule adopts a V-shape. An intra­molecular N—H⋯O inter­action generates a six-membered S(6) ring motif. In the crystal, pairs of O—H⋯O hydrogen bonds involving the carb­oxy group link the mol­ecules into inversion dimers with an R 2 2(8) motif. N—H⋯O and non-classical C—H⋯O inter­actions connect the mol­ecules, forming sheets propagating in (100). PMID:23795022

  16. 2-{4-[Acet­yl(eth­yl)amino]­benzene­sulfonamido}­benzoic acid

    Science.gov (United States)

    Mustafa, Ghulam; Khan, Islam Ullah; Khan, Farhan Mehmood; Akkurt, Mehmet

    2012-01-01

    In the title compound, C17H18N2O5S, the dihedral angle between the aromatic rings is 68.59 (10)° and the C—S—N—C torsion angle is −81.84 (18)°. The mol­ecular conformation is stabilized by an intra­molecular N—H⋯O hydrogen bond, generating an S(6) ring. In the crystal, mol­ecules are linked by C—H⋯O and O—H⋯O hydrogen bonds into a three-dimensional network. PMID:22590212

  17. 4,4′-Bipyridine–4-(p-toluene­sulfonamido)­benzoic acid (1/2)

    OpenAIRE

    Huang, Miao-Ling

    2011-01-01

    In the title compound, C14H13NO4S·0.5C10H8N2, the two benzene rings are nearly perpendicular to each other [dihedral angle = 83.21 (10)°]. The bipyridine mol­ecule is centrosymmetric, the mid-point of the C—C bond linking the pyridine rings being located on an inversion center. Inter­molecular N—H⋯O and O—H⋯N hydrogen bonds and weak inter­molecular C—H⋯O hydrogen bonds are present in the crystal structure.

  18. In vitro predictions of skin absorption of caffeine, testosterone, and benzoic acid: A multi-centre comparison study

    NARCIS (Netherlands)

    Sandt, J.J.M. van de; Burgsteden, J.A. van; Cage, S.; Carmichael, P.L.; Dick, I.; Kenyon, S.; Korinth, G.; Larese, F.; Limasset, J.C.; Maas, W.J.M.; Montomoli, L.; Nielsen, J.B.; Payan, J.-P.; Robinson, E.; Sartorelli, P.; Schaller, K.H.; Wilkinson, S.C.; Williams, F.M.

    2004-01-01

    To obtain better insight into the robustness of in vitro percutaneous absorption methodology, the intra- and inter-laboratory variation in this type of study was investigated in 10 European laboratories. To this purpose, the in vitro absorption of three compounds through human skin (9 laboratories)

  19. Conformational analysis via LIF spectroscopy of jet-cooled molecules: hydroxy- and amino-benzoic acid esters

    Science.gov (United States)

    McCombie, J.; Hepworth, P. A.; Palmer, T. F.; Simons, J. P.; Walker, M. J.

    1993-04-01

    Laser-induced fluorescence excitation spectra have been recorded under free-jet conditions for the series methyl(ethyl)-4-aminobenzoate, methyl(ethyl)-3-aminobenzoate, and methyl(ethyl)-3-hydroxybenzoate. The partially resolved rotational band contours display clear differences. Their analysis has allowed the assignment of conformers associated with each molecule. The differences in their band contours reflect the changes in hybrid composition introduced by the changes in conformational structure.

  20. Potential tuberculostatic agents. Topliss application on benzoic acid [(5-nitro-thiophen-2-yl)-methylene]-hydrazide series.

    Science.gov (United States)

    Rando, Daniela G; Sato, Dayse N; Siqueira, Leonardo; Malvezzi, Alberto; Leite, Clarice Q F; do Amaral, Antonia T; Ferreira, Elizabeth I; Tavares, Leoberto C

    2002-03-01

    Nitroaromatic compounds such as nifuroxazide are used in many human enteropathogenic bacteria infections without causing an increase in the plasmidial antibiotic resistance of the aerobic Gram-negative intestinal Enterobacteriaceae. For these reasons, these compounds have been synthesized using the rational approach of Topliss' decision tree. Generally, this approach allows us to obtain the most active derivative from the series in a few steps. These compounds were tested against Mycobacterium tuberculosis in vitro and the most active of the series identified. A new lead for potential tuberculostatic activity has been predicted and will be used in further QSAR studies. PMID:11814842

  1. Theoretical Hammett Plot for the Gas-Phase Ionization of Benzoic Acid versus Phenol: A Computational Chemistry Lab Exercise

    Science.gov (United States)

    Ziegler, Blake E.

    2013-01-01

    Computational chemistry undergraduate laboratory courses are now part of the chemistry curriculum at many universities. However, there remains a lack of computational chemistry exercises available to instructors. This exercise is presented for students to develop skills using computational chemistry software while supplementing their knowledge of…

  2. Effect of phenols and carboxylic acids on photochromism of 1-alkyl-2-(arylazo)imidazoles

    International Nuclear Information System (INIS)

    Light irradiated trans-to-cis isomerization of 1-alkyl-2-(arylazo)imidazole in the presence of phenol, catechol, benzoic acid and salicylic acid (called co-factors) has been studied in this work. The rate of trans→cis photoisomerization is decreased in the presence of co-factor in the medium and is dependent on the concentration of active quotient about photochrome. The decrease in rate follows catechol>benzoic acid>phenol>salicylic acid. This trend is due to the effects of dissociation ability of –O–H/–COOH, intermolecular association of the molecules etc. The reverse change, cis-to-trans, is very slow in light irradiation and has been carried out by a thermal process in the dark. The quantum yield of isomerization follows the same sequence of effects of co-factors. - Highlights: ► Photoisomerisation of 1-alkyl-2-(arylazo)imidazoles, trans-to-cis, is described in this work. ► The process is sensitive to the environment of the photochrome and the solution. ► The rate of photoisomerization decreases as catechol>benzoic acid>phenol>salicylic acid. ► The reverse isomerization, cis-to-trans is very slow with light and has been carried out with heat. ► The activation energy is less than these values when carried out in fresh solution only.

  3. Effect of phenols and carboxylic acids on photochromism of 1-alkyl-2-(arylazo)imidazoles

    Energy Technology Data Exchange (ETDEWEB)

    Gayen, Pallab [Inorganic Chemistry Section, Department of Chemistry, Jadavpur University, Kolkata 700032 (India); Sinha, Chittaranjan, E-mail: c_r_sinha@yahoo.com [Inorganic Chemistry Section, Department of Chemistry, Jadavpur University, Kolkata 700032 (India)

    2012-09-15

    Light irradiated trans-to-cis isomerization of 1-alkyl-2-(arylazo)imidazole in the presence of phenol, catechol, benzoic acid and salicylic acid (called co-factors) has been studied in this work. The rate of trans{yields}cis photoisomerization is decreased in the presence of co-factor in the medium and is dependent on the concentration of active quotient about photochrome. The decrease in rate follows catechol>benzoic acid>phenol>salicylic acid. This trend is due to the effects of dissociation ability of -O-H/-COOH, intermolecular association of the molecules etc. The reverse change, cis-to-trans, is very slow in light irradiation and has been carried out by a thermal process in the dark. The quantum yield of isomerization follows the same sequence of effects of co-factors. - Highlights: Black-Right-Pointing-Pointer Photoisomerisation of 1-alkyl-2-(arylazo)imidazoles, trans-to-cis, is described in this work. Black-Right-Pointing-Pointer The process is sensitive to the environment of the photochrome and the solution. Black-Right-Pointing-Pointer The rate of photoisomerization decreases as catechol>benzoic acid>phenol>salicylic acid. Black-Right-Pointing-Pointer The reverse isomerization, cis-to-trans is very slow with light and has been carried out with heat. Black-Right-Pointing-Pointer The activation energy is less than these values when carried out in fresh solution only.

  4. Synthesis of Pharmaceutical Intermediates by Toluene Benzylation over Heteropoly Acids on Different Support

    Institute of Scientific and Technical Information of China (English)

    V. V. Bokade; G.D. Yadav

    2007-01-01

    Selective formation of pharmaceutical intermediates like diphenylmethane, dimethyldiphenylmethane, benzyl toluene and benzoic acid by liquid phase, toluene benzylation with benzyl chloride as a benzylating agent, was systematically studied over plane clay (K-10, montmorillonite),plane H-Beta, plane MFI structured titanosilicate (TS-1) and heteropoly acids [HPA, namely dodecasupported on clay, H-beta and TS-1. The 20%TPA/Clay, 30%TPA/H-Beta and 30%TPA/TS-1, were observed to be the best catalyst samples over plane clay, plane H-Beta and plane TS-1. The catalyst samples are compared with respect to benzyl chloride conversion and selectivities for diphenylmethane,dimethyl-diphenylmethane, benzyl toluene and benzoic acid. The reaction follows the pseudo-first order rate power law model. The apparent rate constants are calculated and compared with the reported ones.

  5. The biosynthesis of salicylic acid in potato plants

    International Nuclear Information System (INIS)

    Spraying potato (Solanum tuberosum L.) leaves with arachidonic acid (AA) at 1500 micrograms mL-1 led to a rapid local synthesis of salicylic acid (SA) and accumulation of a SA conjugate, which was shown to be 2-O-beta-glucopyranosylsalicylic acid. Radiolabeling studies with untreated leaves showed that SA was synthesized from phenylalanine and that both cinnamic and benzoic acid were intermediates in the biosynthesis pathway. Using radiolabeled phenylalanine as a precursor, the specific activity of SA was found to be lower when leaves were treated with AA than in control leaves. Similar results were obtained when leaves were fed with the labeled putative intermediates cinnamic acid and benzoic acid. Application of 2-aminoindan-2-phosphonic acid at 40 micromolar, an inhibitor of phenylalanine ammonia-lyase, prior to treatment with AA inhibited the local accumulation of SA. When the putative intermediates were applied to leaves in the presence of 2-aminoindan-2-phosphonic acid, about 40% of the expected accumulation of free SA was recovered, but the amount of the conjugate remained constant

  6. Studies on electrochemical hydrodebromination mechanism of 2,5-dibromobenzoic acid on Ag electrode by in situ FTIR spectroscopy

    International Nuclear Information System (INIS)

    Research highlights: → Silver is a good catalyst for the hydrodebromination of 2,5-dibromobenzoic acid. → 3-Bromobenzoic acid as main intermediate product. → The finally product is benzoic acid. → In situ FTIR is useful to study the electrochemical hydrodebromination mechanism. - Abstract: Cyclic voltammetry and in situ FTIR were employed to study the electrochemical hydrodebromination (EHB) mechanism of 2,5-dibromobenzoic acid (2,5-DBBA) in NaOH solution. Compared with titanium and graphite electrodes, silver electrode exhibited a high electrocatalytic activity for the hydrodebromination reaction of 2,5-DBBA. On the basis of in situ FTIR data, EHB reaction of 2,5-DBBA on Ag cathode might be represented as a sequence of electron additions and bromine expulsions. Firstly, from potential at approximately -1100 mV, 2,5-DBBA received an electron to form 2,5-DBBA radical anion, which lost a bromine ion in the 2-position to form 3-bromobenzoic acid (3-BBA) free radical. Then the free radical received a proton to give 3-BBA. Finally, 3-BBA further took off another bromine ion to produce benzoic acid free radical and the end product benzoic acid was obtained by receiving another electron and a proton with the potential shifting to more negative values.

  7. Structural characterization of humic acids, extracted from sewage sludge during composting, by thermochemolysis–gas chromatography–mass spectrometry

    OpenAIRE

    Amir, Soumia; Hafidi, Mohamed; Lemee, Laurent; Merlina, Georges; Guiresse, Maritxu; Pinelli, Eric; Revel, Jean-Claude; Bailly, Jean-René; Amblès, André

    2006-01-01

    Thermochemolysis coupled with gas chromatography and mass spectrometry were applied to determine the structure of humic acids (HA) extracted from a sewage sludge and straw mixture at different steps of composting. The HA extracted from sludge mixture released various compounds, such as mono-, di-, tri-methoxy (alkyl) benzene and (alkyl) benzoic acids, which originated from lignin like derivatives of phydroxyphenyl, guiaicyl and syringyl units. In addition, other aromatic non-lignin derived st...

  8. Optimization of extraction procedure and determination by high performance liquid chromatography of flavonols and phenolic acids from Hypericum Perforatum L.

    OpenAIRE

    Filipiak-Szok, Anna; Kurzawa, Marzanna; Szłyk, Edward

    2010-01-01

    Hypericum perforatum is a medicinal plant which has been known in traditional medicine as an antiinflammatory and healing agent. Nowadays the use of Hypericum extracts is concerned mainly with antidepressive applications. In the present work, HPLC – RP- C18 column chromatography with photodiode array detection was applied for the determination of the derivatives of cinnamic and benzoic acid (e.g., caffeic, chlorogenic, ferulic, sinapic, gallic acids) (Fig.1.) and flavonols - quercetine deriva...

  9. 3D chiral and 2D achiral cobalt(ii) compounds constructed from a 4-(benzimidazole-1-yl)benzoic ligand exhibiting field-induced single-ion-magnet-type slow magnetic relaxation.

    Science.gov (United States)

    Wang, Yu-Ling; Chen, Lin; Liu, Cai-Ming; Du, Zi-Yi; Chen, Li-Li; Liu, Qing-Yan

    2016-05-01

    Organizing magnetically isolated 3d transition metal ions, which behave as single-ion magnet (SIM) units, in a coordination network is a promising approach to design novel single-molecule magnets (SMMs). Herein 3D chiral and 2D achiral cobalt(ii) coordination compounds based on single metal nodes with a 4-(benzimidazole-1-yl)benzoic acid (Hbmzbc) ligand, namely, [Co(bmzbc)2(1,2-etdio)]n () (1,2-etdio = 1,2-ethanediol) and [Co(bmzbc)2(Hbmzbc)]n (), have been synthesized and structurally characterized. The 3D chiral structure with 2-fold interpenetrating qtz topological nets consisting of totally achiral components was obtained via spontaneous resolution, while the achiral structure is a 2D (4,4) net. In both structures, individual cobalt(ii) ions are spatially well separated by the long organic ligands in the well-defined networks. Magnetic measurements on and showed field-induced slow magnetic relaxation resulting from single-ion anisotropy of the individual Co(ii) ions. Analysis of the dynamic ac susceptibilities with the Arrhenius law afforded an anisotropy energy barrier of 16.8(3) and 31.3(2) K under a 2 kOe static magnetic field for and , respectively. The distinct coordination environments of the Co(ii) ions in and lead to the different anisotropic energy barriers. PMID:27054774

  10. Determination of some aliphatic carboxylic acids in anaerobic digestion process waters by ion-exclusion chromatography with conductimetric detection on a weakly acidic cation-exchange resin column.

    Science.gov (United States)

    Ito, Kazuaki; Takayama, Yohichi; Ikedo, Mikaru; Mori, Masanobu; Taoda, Hiroshi; Xu, Qun; Hu, Wenzhi; Sunahara, Hiroshi; Hayashi, Tsuneo; Sato, Shinji; Hirokawa, Takeshi; Tanaka, Kazuhiko

    2004-06-11

    The determination of seven aliphatic carboxylic acids, formic, acetic, propionic, isobutyric, n-butyric, isovaleric and n-valeric acids in anaerobic digestion process waters was examined using ion-exclusion chromatography with conductimetric detection. The analysis of these biologically important carboxylic acids is necessary as a measure for evaluating and controlling the process. The ion-exclusion chromatography system employed consisted of polymethacrylate-based weakly acidic cation-exchange resin columns (TSKgel OApak-A or TSKgel Super IC-A/C). weakly acidic eluent (benzoic acid), and conductimetric detection. Particle size and cation-exchange capacity were 5 microm and 0.1 meq./ml for TSKgel OApak-A and 3 microm and 0.2 meq./ml for TSKgel Super IC-A/C, respectively. A dilute eluent (1.0-2.0 mM) of benzoic acid was effective for the high resolution and highly conductimetric detection of the carboxylic acids. The good separation of isobutyric and n-butyric acids was performed using the TSKgel Super IC-A/C column (150 mm x 6.0 mm i.d. x 2). The simple and good chromatograms were obtained by the optimized ion-exclusion chromatography conditions for real samples from mesophilic anaerobic digestors, thus the aliphatic carboxylic acids were successfully determined without any interferences. PMID:15250416

  11. Analysis of phenolic acids in barley by high-performance liquid chromatography.

    Science.gov (United States)

    Yu, J; Vasanthan, T; Temelli, F

    2001-09-01

    Phenolic acids from 30 barley varieties (combination of hulled/hulless/two-row/six-row/regular/waxy) were investigated by HPLC following four different sample treatments: (a) simple hot water extraction, (b) extraction after acid hydrolysis, (c) acid plus alpha-amylase hydrolysis, and (d) acid plus alpha-amylase plus cellulase hydrolysis treatments. The benzoic acid (p-hydroxybenzoic, vanillic, and protocatechuic acids) and cinnamic acid derivatives (coumaric, caffeic, ferulic, and chlorogenic acids) were identified, and some of the phenolic acids were quantified after each above-mentioned treatment. The data indicated that a combination of sequential acid, alpha-amylase, and cellulase hydrolysis treatments might be applicable for release of more phenolic acids from barley. PMID:11559137

  12. Aerobic Oxidation of Alcohols over Gold Catalysts: Role of Acid and Base

    DEFF Research Database (Denmark)

    Klitgaard, Søren Kegnæs; DeLa Riva, Andrew T.; Helveg, Stig; Werchmeister, Rebecka Maria Larsen; Christensen, Claus H.

    Gold nanoparticles are deposited on potassium titanate nanowires and used as heterogeneous catalysts in the aerobic oxidation of benzyl alcohol in methanol to methyl benzoate at ambient conditions. The presence of a catalytic amount of base promotes the reaction and the formation of free benzoic...... acid during the reaction poisons the catalyst. The activity however, of the catalyst can be restored again by addition of base....

  13. Para-amino benzoic acid–mediated synthesis of vaterite phase of calcium carbonate

    Indian Academy of Sciences (India)

    T N Ramesh; S A Inchara; K Pallavi

    2015-05-01

    Calcium carbonate polymorphs were precipitated at room temperature and 80°C by varying the precipitation pH, carbonate source, effect of solvent in presence and absence of structure directing agent such as para-aminobenzoic acid. Calcite phase of calcium carbonate was obtained when sodium hydrogen carbonate and/or sodium carbonate (used as precipitating agents) were added to calcium chloride solution at different pHs in water and/or methanol as solvent in separate experiments. Vaterite phase of calcium carbonate (CaCO3) has been synthesized by mixing calcium chloride and sodium carbonate in presence of para-aminobenzoic acid when water–methanol binary mixture was used as solvent. Vaterite phase of calcium carbonate crystallizes in P63/mmc, while that of calcite phase in R-3mc, respectively. Calcite phase of calcium carbonate exhibits rhombohedral morphology, while vaterite phase has spherical morphology.

  14. Chemical abatement of acid mine drainage formation

    Energy Technology Data Exchange (ETDEWEB)

    Steven, J.

    1987-01-01

    Chemical and thermodynamic data were used to develop a unified model of hydroxo-, sulfato-, and bisulfato-iron complexes and their stability constants in iron-sulfate solutions. Free energy of formation for each ligand series species was hypothesized to be linear in ligand number because of supporting evidence from the literature. Laboratory tests on the inhibition of acid mine drainage bacteria were conducted. Benzoic acid, sorbic acid, and sodium lauryl sulfate at low concentrations (5 to 10 mg/liter) each effectively inhibited oxidation of ferrous iron in batch cultures of Thiobacillus ferrooxidans. The rate of chemical oxidation of ferrous iron in low-pH, sterile batch reactors was not substantially affected at the tested concentrations (5 to 50 mg/liter) of any of the compounds. Low-pH cultures of Thiobacillus thioxidans significantly increased zinc sulfide dissolution rates relative to sterile controls. Sodium lauryl sulfate, benzoic acid, and sorbic acid at concentrations of 10, 25, and 50 mg/liter, respectively, in identical low-pH, batch cultures of Thiobacillus thiooxidans, were sufficient for complete inhibition of bacterial zinc sulfide dissolution. Pilot-scale experiments on the abatement of acid mine drainage formation in both fresh and weathered pyritic coal refuse were also conducted. At doses of 0.5 g/kg and 5.0 g/kg in fresh and weathered refuse, respectively, sodium benzoate, potassium sorbate, and most significantly, sodium lauryl surface, reduced the rate of iron, sulfate, and acidity production in water-leached barrels of coal refuse material.

  15. Selective spectrophotometric determination of molybdenum(VI) and vanadium(V) with resacetophenone benzoic hydrazone in steels and alloys

    International Nuclear Information System (INIS)

    A spectrophotometric method for the determination of molybdenum(VI) and vanadium(V) using 2, 4-dihydroxyacetophenone benzoic hydrazone (RPBH) is reported. The reagent forms 1:1 yellow coloured complexes with Mo(VI) and V(V) at pH 3.5. The colour development of molybdenum complex is instantaneous and shows absorption maximum at 410nm. In the case of vanadium complex, maximum colour is developed after heating for 10 minutes on a water bath and show maximum absorption at 380nm. The molybdenum(VI) complex with a molar absorptivity of 3.6x103 l mol-1 cm-1 and Sandell's sensitivity of 0.02 μg/cm2, obeys Beer's law in the range 2.4 to 33.6 ppm. The vanadium(V) complex whose molar absorptivity and Sandell's sensitivity are 1.3x104 l mol-1 cm-1 and 0.004 μg/cm2 respectively, obeys Beer's law in the range 0.25 to 7.6 ppm. The effect of various diverse ions on the determination of the metal ions is studied. The method is applied for the determination of molybdenum and vanadium in steel and alloy samples. (author). 10 refs., 1 fig., 3 tabs

  16. Synthesis of some 1,8-dioxoacridine carboxylic acid derivatives and the determination of their ionization constants in ethanol-water mixtures

    Science.gov (United States)

    Saygılı, Rukiye; Ulus, Ramazan; Yeşildağ, İbrahim; Kübra İnal, E.; Kaya, Muharrem; Murat Kalfa, O.; Zeybek, Bülent

    2015-03-01

    Four novel compounds of 1,8-dioxoacridine carboxylic acid derivatives (4-(3,3,6,6-tetramethyl-1,8-dioxo-9-phenyl-1,2,3,4,5,6,7,8-octahydroacridin-10(9H)-yl)benzoic acid, 4-(9-(4-cyanophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8-octahydroacridin-10(9H)-yl)benzoic acid, 4-(9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8-octahydroacridin-10(9H)-yl)benzoic acid, 4-(9-(2,4-dichlorophenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8-octahydroacridin-10(9H)-yl)benzoic acid) were prepared by the reaction of the 4-substitute benzaldehyde (hydrogen, hydroxyl, cyano, and 2,4-dichloro), 4-aminobenzoic acid, and 5,5-dimethylcyclohexane-1,3-dione in the presence of p-dodecylbenzenesulfonic acid. They were characterized by using FT-IR, 1H-NMR, 13C-NMR, GC-MS spectroscopic techniques. The stoichiometric ionization constants of these compounds were determined in ethanol-water mixtures of 50%, 60% and 70% ethanol (v/v) by potentiometric titration method and the ionization constants were calculated with three different ways. The effects of solvent composition and substituent groups on ionization constants of 1,8-dioxoacridine carboxylic acids were also discussed.

  17. DESIGN AND SYNTHESIS OF 4-[2’-(5’- NITRO] IMIDAZOLYL BENZOYL (N-METHYL AMINO ACIDS AND PEPTIDES

    Directory of Open Access Journals (Sweden)

    PARAMITA DAS

    2010-06-01

    Full Text Available In the past two decades, a wide variety of bioactive peptides have been discovered. Condensation of heterocyclic moieties viz nicotinic acid, thiazole coumarin, quinolin, furan, imidazole etc. with amino acids and peptides resulted in compounds with potent biological activities. Many of the heterocyclic found to exhibit antifungal, antibacterial, cytotoxic, antineoplastic, insectisidal, antiinflammatory, anthelmintic, tyrosinase inhibitory and melanin production inhibitory activities. Metronidazole, serconidazole, flucanazole are well known marketed drugs. Introduction of D-amino acids and N-methylation of amino acids like tyrosine, valine, alanine etc enhanced antimicrobial activity. Hence an attempt is made towards the synthesis of 5-nitroimidazolyl-benzoic acid derivative of N-methylamino acids and peptide using solution phase technique of peptide synthesis. The method includes the introduction of tert-butyloxy carboxyl group (Boc to amino acids to protect the amino group forming Boc-amino acids .The protection of carboxyl group was done by converting the amino acids into corresponding methyl ester. The protected amino acids were coupled using diisopropylcarbodimide and triethylamine to get protected dipeptides. N-methylation was done by treating with methyl iodide and sodium hydride. The ester group was then removed by lithium hydroxide. The Boc(N-methyldipetide were coupled to amino acids or Boc(Nmethyl dipeptide were coupled to 4-[2-(5-nitroimidazoly]benzoic acids.

  18. Diacidene, a polyene dicarboxylic acid from a Micromonospora isolate from the German Wadden Sea.

    Science.gov (United States)

    Ohlendorf, Birgit; Schulz, Dirk; Beese, Pascal; Erhard, Arlette; Schmaljohann, Rolf; Imhoff, Johannes F

    2012-01-01

    Micromonospora sp. strain DB620 was isolated from a Wadden Sea sediment sample collected near Büsum (Germany) and is closely related (99% 16S-rRNA gene sequence similarity) to Micromonospora coxensis strain MTCC8093. It produced a new polyene dicarboxylic acid named diacidene (1) and in addition a derivative of chorismic acid, the known 3-[(1-carboxyvinyl)oxy]benzoic acid. The structure elucidation of 1 was achieved by applying different 1D and 2D NMR techniques as well as mass spectrometry and UV spectroscopy. PMID:23198401

  19. The application of hydrogen-palladium electrode for potentiometric acid-base determinations in tetrahydrofuran

    Directory of Open Access Journals (Sweden)

    Jokić Anja B.

    2013-01-01

    Full Text Available The application of the hydrogen-palladium electrode (H2/Pd as the indicator electrode for the determination of relative acidity scale (Es, mV of tetrahydrofuran (THF and the potentiometric titrations of acids in this solvent was investigated. The relative acidity scale tetrahydrofuran was determined from the difference half-neutralization potentials of perchloric acid and tetrabutylammonium hydroxide (TBAH, which were measured by using both H2/Pd-SCE and glass-SCE electrode pairs. The experimentally obtained value of Es scale THF with a H2/Pd-SCE electrode pair was 1155 mV, and those obtained with glass-SCE electrode pair 880 mV. By using a H2/Pd indicator electrode, the individual acids (benzoic acid, palmitic acid, maleic acid, acetyl acetone, α-naphthol and two component acid mixtures (benzoic acid + α-naphthol, palmitic acid + α-naphthol, maleic acid + α-naphthol and maleic acid + ftalic acid were titrated with a standard solution of TBAH. In addition, sodium methylate and potassium hydroxide proved to be very suitable titrating agents for titrating of the individual acids and the acids in mixtures, respectively. The relative error of the determination of acids in mixture was less than 3%. The results are in agreement with those obtained by a conventional glass electrode. The advantages of H2/Pd electrode over a glass electrode in potentiometric acid-base determinations in tetrahydrofuran lie in the following: this electrode gives wider relative acidity scale THF, higher the potential jumps at the titration end-point and relatively fast response time; furthermore, it is very durable, simple to prepare and can be used in the titrations of small volumes. [Projekat Ministarstva nauke Republike Srbije, br.172051

  20. Regiospecific tritium labeling of aromatic acids, amides, amines and heterocyclics using homogeneous rhodium trichloride and ruthenium acetylacetonate catalysts

    International Nuclear Information System (INIS)

    Homogeneous rhodium trichloride has been found to promote ortho-tritiation with high regioselectivity in a wide range of aromatic carboxylic acids, amides and aralkylamines. Less successful results were obtained using o-chlorobenzoic and o-anisic acids where some decomposition was seen, and in acids and amides of the phenolic type, where a degree of electrophilic exchange accompanies the ortho-exchange. The same catalyst has also been used to regiospecifically label a number of heterocyclics. In the course of investigations with other metal complexes ruthenium acetylacetonate has been identified as an excellent promoter of ortho-exchange in benzoic acids. (author)

  1. Acidic organic compounds in beverage, food, and feed production.

    Science.gov (United States)

    Quitmann, Hendrich; Fan, Rong; Czermak, Peter

    2014-01-01

    Organic acids and their derivatives are frequently used in beverage, food, and feed production. Acidic additives may act as buffers to regulate acidity, antioxidants, preservatives, flavor enhancers, and sequestrants. Beneficial effects on animal health and growth performance have been observed when using acidic substances as feed additives. Organic acids could be classified in groups according to their chemical structure. Each group of organic acids has its own specific properties and is used for different applications. Organic acids with low molecular weight (e.g. acetic acid, lactic acid, and citric acid), which are part of the primary metabolism, are often produced by fermentation. Others are produced more economically by chemical synthesis based on petrochemical raw materials on an industrial scale (e.g. formic acid, propionic and benzoic acid). Biotechnology-based production is of interest due to legislation, consumer demand for natural ingredients, and increasing environmental awareness. In the United States, for example, biocatalytically produced esters for food applications can be labeled as "natural," whereas identical conventional acid catalyst-based molecules cannot. Natural esters command a price several times that of non-natural esters. Biotechnological routes need to be optimized regarding raw materials and yield, microorganisms, and recovery methods. New bioprocesses are being developed for organic acids, which are at this time commercially produced by chemical synthesis. Moreover, new organic acids that could be produced with biotechnological methods are under investigation for food applications. PMID:24275825

  2. Lactic acid fermentation of vegetables - an energy conserving technique giving tasty products with good keeping qualities. Mjoelksyraferrmentering av groensaker - en energisnaal teknik som leder till goda och haallbara produkter

    Energy Technology Data Exchange (ETDEWEB)

    Andersson, R.

    1986-01-27

    Carrots, turnips and red beets have been fermented using lactic acid. The products have been tested regarding taste and keeping qualities. Some conserving additives are needed to eliminate development of yeast or mould fungi. Benzoic acid can be added without disturbing the fermentation. The same good results were also obtained using carbon dioxide. Pasteurization or freezing affected the texture of the products in a negative way.

  3. Noncovalent-bonded 1D-3D supramolecular architectures from 2-methylquinoline/quinoline with monocarboxylic acid and dicarboxylic acid

    Science.gov (United States)

    Gao, Xingjun; Jin, Shouwen; Jin, Li; Ye, XiangHang; Zheng, Lu; Li, JingWen; Jin, BinPeng; Wang, Daqi

    2014-10-01

    Studies concentrating on noncovalent weak interactions between the organic base of 2-methylquinoline/quinoline, and carboxylic acid derivatives have led to an increased understanding of the role 2-methylquinoline/quinoline have in binding with carboxylic acids. Here anhydrous multicomponent organic acid-base adducts of 2-methylquinoline/quinoline have been prepared with carboxylic acids that ranged from monocarboxylic acid to dicarboxylic acid such as p-nitrobenzoic acid, (4-chloro-phenoxy)-acetic acid, 4-hydroxy-benzoic acid, 5-bromosalicylic acid, 2,4-dihydroxybenzoic acid, α-ketoglutaric acid, and 4-nitrophthalic acid. The seven crystalline complexes were characterized by X-ray diffraction analysis, IR, m.p., and elemental analysis. These structures adopted the hetero supramolecular synthons. Analysis of the crystal packing of 1-7 suggests that there are Nsbnd H⋯O, Osbnd H⋯N, and Osbnd H⋯O hydrogen bonds (charge assisted or neutral) between the acid and quinoline moieties in the studied compounds. Except the classical hydrogen bonding interactions, the secondary propagating interactions also play important roles in structure extension. These weak interactions combined, these compounds displayed 1D-3D framework structure.

  4. Facile syntheses of isotope-labeled chiral octahydroindole-2-carboxylic acid and its N-methyl analog

    International Nuclear Information System (INIS)

    We have synthesized deuterium and carbon-14 labeled enantiomerically pure octahydroindole-2-carboxylic acid (PD0140417), N-methyl octahydroindole-2-carboxylic acid (PD0348183) and their racemic analogs (PD0108405 and PD0338055). [ring-U-14C]PD0140417 was prepared from [ring-U-14C]benzoic acid in a seven-step synthesis in 6.2% overall radiochemical yield. [14C]PD0348183 was prepared from [14C]BaCO3 in a five-step synthesis in 16% radiochemical yield. Additionally, [D]PD0108405 and [D]PD0338055 were synthesized by direct platinum-catalyzed hydrogenation with deuterium gas. (author)

  5. Palladium-Catalyzed Multicomponent Synthesis of 2-Imidazolines from Imines and Acid Chlorides

    Directory of Open Access Journals (Sweden)

    Boran Xu

    2012-11-01

    Full Text Available We describe the palladium-catalyzed multicomponent synthesis of 2-imidazolines. This reaction proceeds via the coupling of imines, acid chlorides and carbon monoxide to form imidazolinium carboxylates, followed by a decarboxylation. Decarboxylation in CHCl3 is found to result in a mixture of imidazolinium and imidazolium salts. However, the addition of benzoic acid suppresses aromatization, and generates the trans-disubstituted imidazolines in good yield. Combining this reaction with subsequent nitrogen deprotection provides an overall synthesis of imidazolines from multiple available building blocks.

  6. The occurrence of 2-hydroxy-6-methoxybenzoic acid methyl ester in Securidaca longepedunculata Fresen root bark

    Directory of Open Access Journals (Sweden)

    Lognay G.

    2000-01-01

    Full Text Available As part of our ongoing search for natural fumigants from Senegalese plants, we have investigated Securicicidaca longepedunculata root barks and demonstrated that 2-hydroxy-benzoic acid methyl ester (methyl salicylate, I is responsible of their biocide effect against stored grain insects. A second unknown apparented product, II has been systematically observed in all analyzed samples. The present paper describes the identification of this molecule. The analytical investigations including GCMS, GLC and 1H-NMR. spectrometry led to the conclusion that II corresponds to the 2-hydroxy-6-methoxybenzoic acid methyl ester.

  7. Breeding Vegetables with Increased Content in Bioactive Phenolic Acids

    Directory of Open Access Journals (Sweden)

    Prashant Kaushik

    2015-10-01

    Full Text Available Vegetables represent a major source of phenolic acids, powerful antioxidants characterized by an organic carboxylic acid function and which present multiple properties beneficial for human health. In consequence, developing new varieties with enhanced content in phenolic acids is an increasingly important breeding objective. Major phenolic acids present in vegetables are derivatives of cinnamic acid and to a lesser extent of benzoic acid. A large diversity in phenolic acids content has been found among cultivars and wild relatives of many vegetable crops. Identification of sources of variation for phenolic acids content can be accomplished by screening germplasm collections, but also through morphological characteristics and origin, as well as by evaluating mutations in key genes. Gene action estimates together with relatively high values for heritability indicate that selection for enhanced phenolic acids content will be efficient. Modern genomics and biotechnological strategies, such as QTL detection, candidate genes approaches and genetic transformation, are powerful tools for identification of genomic regions and genes with a key role in accumulation of phenolic acids in vegetables. However, genetically increasing the content in phenolic acids may also affect other traits important for the success of a variety. We anticipate that the combination of conventional and modern strategies will facilitate the development of a new generation of vegetable varieties with enhanced content in phenolic acids.

  8. Breeding Vegetables with Increased Content in Bioactive Phenolic Acids.

    Science.gov (United States)

    Kaushik, Prashant; Andújar, Isabel; Vilanova, Santiago; Plazas, Mariola; Gramazio, Pietro; Herraiz, Francisco Javier; Brar, Navjot Singh; Prohens, Jaime

    2015-01-01

    Vegetables represent a major source of phenolic acids, powerful antioxidants characterized by an organic carboxylic acid function and which present multiple properties beneficial for human health. In consequence, developing new varieties with enhanced content in phenolic acids is an increasingly important breeding objective. Major phenolic acids present in vegetables are derivatives of cinnamic acid and to a lesser extent of benzoic acid. A large diversity in phenolic acids content has been found among cultivars and wild relatives of many vegetable crops. Identification of sources of variation for phenolic acids content can be accomplished by screening germplasm collections, but also through morphological characteristics and origin, as well as by evaluating mutations in key genes. Gene action estimates together with relatively high values for heritability indicate that selection for enhanced phenolic acids content will be efficient. Modern genomics and biotechnological strategies, such as QTL detection, candidate genes approaches and genetic transformation, are powerful tools for identification of genomic regions and genes with a key role in accumulation of phenolic acids in vegetables. However, genetically increasing the content in phenolic acids may also affect other traits important for the success of a variety. We anticipate that the combination of conventional and modern strategies will facilitate the development of a new generation of vegetable varieties with enhanced content in phenolic acids. PMID:26473812

  9. Thermochemical studies on the quantity-antibacterial effect relationship of four organic acids from Radix Isatidis on Escherichia coli growth.

    Science.gov (United States)

    Kong, Weijun; Zhao, Yanling; Shan, Limei; Xiao, Xiaohe; Guo, Weiying

    2008-07-01

    In this report, we have investigated the inhibitory action of four organic acids from Radix Isatidis on Escherichia coli growth was investigated at 37 degrees C by using a microcalorimeter. The four organic acids were: syringic acid, 2-amino-benzoic acid, salicylic acid, benzoic acid. In accordance with thermokinetic model, the pertaining relationships of the drugs, such as growth inhibitory ratio vs. concentration, maximal power-output vs. growth rate constant, growth rate constant vs. concentration, were obtained. Half-inhibitory concentration of the drugs, IC(50), was obtained by quantitative analysis. From the view of thermodynamics and molecular structure, the relationship between quantity and effect of the four organic acids has been discussed. The functional groups on phenyl ring had important influence on the antibacterial activities. Our work suggests that microcalorimetry is a fast, simple and more sensitive method that can be easily performed and applied to study the anti-bacterial activities of organic acids from Radix Isatidis on microorganism compared to other biological methods. PMID:18591764

  10. Determination of Five Organic Acids in Radix Isatidis by Column Partition Chromatography and Capillary Zone Electrophoresis

    Institute of Scientific and Technical Information of China (English)

    CHAIYi-fen; JISong-gang; ZHANGGuo-qing; LIUChang-hai

    2003-01-01

    Aim To determine five organic acids in Radix lsatidis. Method The extraction method and the column partition chromatographic conditiom were studied. Then a capillary zone dectrophorefic method was set up for the determina-tion. Results The linear ranges of quinazolinone acid, n-anthranilic acid, benzoic acid, salicylic acid, and syringic acid were 5.52 - 92.0μg·mL-1 , 5.12 - 102μg·mL-1 , 2.28 - 84.4μg·mL-1, 4.78 - 159 μg·mL-1, and 1.74- 87.0μg·mL-1 respectively. Conclusion The established method is accurate and simple.

  11. Do carboximide–carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics

    Directory of Open Access Journals (Sweden)

    Ramanpreet Kaur

    2015-05-01

    Full Text Available Carboxylic acids, amides and imides are key organic systems which provide understanding of molecular recognition and binding phenomena important in biological and pharmaceutical settings. In this context, studies of their mutual interactions and compatibility through co-crystallization may pave the way for greater understanding and new applications of their combinations. Extensive co-crystallization studies are available for carboxylic acid/amide combinations, but only a few examples of carboxylic acid/imide co-crystals are currently observed in the literature. The non-formation of co-crystals for carboxylic acid/imide combinations has previously been rationalized, based on steric and computed stability factors. In the light of the growing awareness of eutectic mixtures as an alternative outcome in co-crystallization experiments, the nature of various benzoic acid/cyclic imide combinations is established in this paper. Since an additional functional group can provide sites for new intermolecular interactions and, potentially, promote supramolecular growth into a co-crystal, benzoic acids decorated with one or more hydroxyl groups have been systematically screened for co-crystallization with one unsaturated and two saturated cyclic imides. The facile formation of an abundant number of hydroxybenzoic acid/cyclic carboximide co-crystals is reported, including polymorphic and variable stoichiometry co-crystals. In the cases where co-crystals did not form, the combinations are shown invariably to result in eutectics. The presence or absence and geometric disposition of hydroxyl functionality on benzoic acid is thus found to drive the formation of co-crystals or eutectics for the studied carboxylic acid/imide combinations.

  12. Intercalação e funcionalização da brucita com ácidos carboxílicos Intercalation and functionalization of brucite with carboxylic acids

    OpenAIRE

    Fernando Wypych; Gregorio Guadalupe Carbajal Arízaga

    2005-01-01

    Brucite (Mg(OH)2) is a structural model of several natural layered minerals as well as of synthetic layered double hydroxides (LDH). Exchange reaction studies of these compounds are well documented in the literature but surface chemical modifications, especially for brucite, are quite rare. We report the behaviour of brucite in reaction with succinic and benzoic acid in different solvents and temperatures. The compounds were analysed through X-ray diffraction (XRD) and infrared spectroscopy (...

  13. Effect of acidity on the energy level of curcumin dye extracted from Curcuma longa L.

    Science.gov (United States)

    Agustia, Yuda Virgantara; Suyitno, Arifin, Zainal; Sutanto, Bayu

    2016-03-01

    The purpose of this research is to investigate the effect of acidity on the energy level of curcumin dye. The natural dye, curcumin, was synthesized from Curcuma longa L. using a simple extraction technique. The purification of curcumin dye was conducted in a column of chromatography and its characteristics were studied. Next, the purified curcumin dye was added by benzoic acids until various acidities of 3.0, 3.5, 4.0, 4.5, and 5.0. The absorbance spectra and the functionality groups found in the dyes were detected by ultraviolet-visible spectroscopy and Fourier-transform infrared spectroscopy, respectively. Meanwhile, the energy level of the dyes, EHOMO and ELUMO was measured by cyclic voltammetry. The best energy level of curcumin dye was achieved at pH 3.5 where Ered = -0.37V, ELUMO = -4.28 eV, Eox = 1.15V, EHOMO = -5.83 eV, and Eband gap = 1.55 eV. Therefore, the purified curcumin dye added by benzoic acid was promising for sensitizing the dye-sensitized solar cells.

  14. Anodic oxidation of salicylic acid on BDD electrode: Variable effects and mechanisms of degradation

    Energy Technology Data Exchange (ETDEWEB)

    Rabaaoui, Nejmeddine, E-mail: chimie_tunisie@yahoo.fr [Faculte des Sciences de Sfax, Departement de Chimie, 3038 Sfax (Tunisia); Allagui, Mohamed Salah [Faculte des Sciences de Gafsa, Campus Universitaire Sidi Ahmed Zarrouk, 2112 Gafsa (Tunisia)

    2012-12-15

    Highlights: Black-Right-Pointing-Pointer Oxidation with BDD is a powerful electrochemical method able to mineralize. Black-Right-Pointing-Pointer SA is oxidized to aromatic compounds then CO{sub 2} and H{sub 2}O. Black-Right-Pointing-Pointer Polymeric intermediate products were formed. - Abstract: The degradation of 100 mL of solution with salicylic acid (SA) in the pH range 3.0-10.0 has been studied by anodic oxidation in a cell with a boron-doped diamond (BDD) anode and a stainless steel cathode, both of 3 cm{sup 2} area, by applying a current of 100, 300 and 450 mA at 25 Degree-Sign C. Completed mineralization is always achieved due to the great concentration of hydroxyl radical ({center_dot}OH) generated at the BDD surface. The mineralization rate increases with increasing applied current, but decreases when drug concentration rises from 200 mg L{sup -1}. Nevertheless, the pH effect was not significant. During oxidation it was observed that catechol, 2,5-dihydroxylated benzoic acid, 2,3-dihydroxylated benzoic acid and hydroquinone were formed as aromatic intermediates. In addition, ion-exclusion chromatography allowed the detection of fumaric, maleic, oxalic and formic as the ultimate carboxylic acid.

  15. Effect of vanillin and its acid and alcohol derivatives on the diphenolase activity of mushroom tyrosinase

    Directory of Open Access Journals (Sweden)

    Masoomeh Bagheri-Kalmarzi

    2012-01-01

    Full Text Available For the first time in the present study the effects of vanillin, vanillyl alcohol, vanillic acid, as well as the newly synthesized vanillin derivative, bis-vanillin, were investigated on the oxidation of dopamine hydrochloride by mushroom tyrosinase. Among them, vanillin and bis-vanillin act as activators, while vanillyl alcohol and vanillic acid exhibited inhibitory effects, the IC50 values being estimated 1.5 and 1.0 mM, respectively. These compounds were mixed inhibitors. The presence of aldehyde and metoxy groups at the meta position of aromatic compounds seems to cause them to react as tyrosinase activators, as observed in the case of vanillin and bis-vanillin. The presence of both groups in bis-vanillin results in a stronger activation effect compared to vanillin. The results indicate that the electron-withdrawing capacity of the functional group at the C-1 position is essential for the inhibitory potency of vanillin derivatives. In comparison with other benzoic acid derivatives, the results obtained in this study suggest that the relative positioning of hydroxy and methoxy groups at meta and para positions plays an important role in the inhibition effects of benzoic acids and their inhibition potency.

  16. Anodic oxidation of salicylic acid on BDD electrode: Variable effects and mechanisms of degradation

    International Nuclear Information System (INIS)

    Highlights: ► Oxidation with BDD is a powerful electrochemical method able to mineralize. ► SA is oxidized to aromatic compounds then CO2 and H2O. ► Polymeric intermediate products were formed. - Abstract: The degradation of 100 mL of solution with salicylic acid (SA) in the pH range 3.0–10.0 has been studied by anodic oxidation in a cell with a boron-doped diamond (BDD) anode and a stainless steel cathode, both of 3 cm2 area, by applying a current of 100, 300 and 450 mA at 25 °C. Completed mineralization is always achieved due to the great concentration of hydroxyl radical (·OH) generated at the BDD surface. The mineralization rate increases with increasing applied current, but decreases when drug concentration rises from 200 mg L−1. Nevertheless, the pH effect was not significant. During oxidation it was observed that catechol, 2,5-dihydroxylated benzoic acid, 2,3-dihydroxylated benzoic acid and hydroquinone were formed as aromatic intermediates. In addition, ion-exclusion chromatography allowed the detection of fumaric, maleic, oxalic and formic as the ultimate carboxylic acid.

  17. Radiation chemistry of salicylic and methyl substituted salicylic acids: Models for the radiation chemistry of pharmaceutical compounds

    Science.gov (United States)

    Ayatollahi, Shakiba; Kalnina, Daina; Song, Weihua; Turks, Maris; Cooper, William J.

    2013-11-01

    Salicylic acid and its derivatives are components of many medications and moieties found in numerous pharmaceutical compounds. They have been used as models for various pharmaceutical compounds in pharmacological studies, for the treatment of pharmaceuticals and personal care products (PPCPs), and, reactions with natural organic matter (NOM). In this study, the radiation chemistry of benzoic acid, salicylic acid and four methyl substituted salicylic acids (MSA) is reported. The absolute bimolecular reaction rate constants for hydroxyl radical reaction with benzoic and salicylic acids as well as 3-methyl-, 4-methyl-, 5-methyl-, and 6-methyl-salicylic acid were determined (5.86±0.54)×109, (1.07±0.07)×1010, (7.48±0.17)×109, (7.31±0.29)×109, (5.47±0.25)×109, (6.94±0.10)×109 (M-1 s-1), respectively. The hydrated electron reaction rate constants were measured (3.02±0.10)×109, (8.98±0.27)×109, (5.39±0.21)×109, (4.33±0.17)×109, (4.72±0.15)×109, (1.42±0.02)×109 (M-1 s-1), respectively. The transient absorption spectra for the six model compounds were examined and their role as model compounds for the radiation chemistry of pharmaceuticals investigated.

  18. Influence of organic component on geometry and stability of the Dy(3) complexes with benzoic and aminobenzoic acids in water-80 vol.% DMSO(DMFA) mixtures

    International Nuclear Information System (INIS)

    Data of pH-metric and magnetooptical analyses were used to evaluate stability and structure of benzoate and aminobenzoate dysprosium (3) complexes in water and water - 80 vol.% DMSO (DMFA) mixtures. Factors, dictating change of complex structure and stability when passing from water to organic water solvents, are discussed. 19 refs.; 2 figs.; 1 tab

  19. Discovery of substituted-2,4-dimethyl-(naphthalene-4-carbonyl)amino-benzoic acid as potent and selective EP4 antagonists.

    Science.gov (United States)

    Blanco, Maria-Jesus; Vetman, Tatiana; Chandrasekhar, Srinivasan; Fisher, Matthew J; Harvey, Anita; Mudra, Daniel; Wang, Xu-Shan; Yu, Xiao-Peng; Schiffler, Matthew A; Warshawsky, Alan M

    2016-01-01

    A novel series of EP4 antagonists, based on a quinoline scaffold, has been discovered. Medicinal chemistry efforts to optimize the potency of the initial hit are described. A highly potent compound in a clinically relevant human whole blood assay was identified. Selectivity and pharmacokinetic profiles of this compound are discussed. PMID:26608552

  20. Discovery of potent aryl-substituted 3-[(3-methylpyridine-2-carbonyl) amino]-2,4-dimethyl-benzoic acid EP4 antagonists with improved pharmacokinetic profile.

    Science.gov (United States)

    Blanco, Maria-Jesus; Vetman, Tatiana; Chandrasekhar, Srinivasan; Fisher, Matthew J; Harvey, Anita; Chambers, Mark; Lin, Chaohua; Mudra, Daniel; Oskins, Jennifer; Wang, Xu-Shan; Yu, Xiao-Peng; Warshawsky, Alan M

    2016-02-01

    Two new series of EP4 antagonists containing a 3-methylaryl-2-carbonyl core have been identified. One series has a 3-substituted-phenyl core, while the other one incorporates a 3-substituted pyridine. Both series led to compounds with potent activity in functional and human whole blood (hWB) assays. In the pyridine series, compound 7a was found to be a highly potent and selective EP4 antagonist, with suitable rat and dog pharmacokinetic profiles. PMID:26764191

  1. Comparison of open-flow microperfusion and microdialysis methodologies when sampling topically applied fentanyl and benzoic acid in human dermis ex vivo

    DEFF Research Database (Denmark)

    Holmgaard, R; Benfeldt, E; Nielsen, J B;

    2012-01-01

    . The second purpose was to provide guidance to researchers in choosing the most efficient method for a given penetrant and give suggestions concerning critical choices for successful dermal sampling. METHODS: The dOFM and dMD techniques are compared in equal set-ups using three probe-types (one d......OFM probe and two dMD probe-types) in donor skin (n = 9)--27 probes of each type sampling each penetrant in solutions applied in penetrationchambers glued to the skin surface over a time range of 20 h. RESULTS: Pharmacokinetic results demonstrated concordance between dOFM and dMD sampling technique under...... the given experimental conditions. The methods each had advantages and limitations in technical, practical and hands-on comparisons. CONCLUSION: When planning a study of cutaneous penetration the advantages and limitations of each probe-type have to be considered in relation to the scientific question...

  2. Effect of phenolic acids of microbial origin on production of reactive oxygen species in mitochondria and neutrophils

    Directory of Open Access Journals (Sweden)

    Beloborodova Natalia

    2012-10-01

    Full Text Available Abstract Background Several low-molecular-weight phenolic acids are present in the blood of septic patients at high levels. The microbial origin of the most of phenolic acids in the human body was shown previously, but pathophysiological role of the phenolic acids is not clear. Sepsis is associated with the excessive production of reactive oxygen species (ROS in both the circulation and the affected organs. In this work the influence of phenolic acids on ROS production in mitochondria and neutrophils was investigated. Methods ROS production in mitochondria and neutrophils was determined by MCLA- and luminol-dependent chemiluminescence. The rate of oxygen consumption by mitochondria was determined polarographically. The difference of electric potentials on the inner mitochondrial membrane was registered using a TPP+-selective electrode. The formation of phenolic metabolites in monocultures by the members of the main groups of the anaerobic human microflora and aerobic pathogenic bacteria was investigated by the method of gas chromatography–mass spectrometry. Results All phenolic acids had impact on mitochondria and neutrophils, the main producers of ROS in tissues and circulation. Phenolic acids (benzoic and cinnamic acids producing the pro-oxidant effect on mitochondria inhibited ROS formation in neutrophils. Their effect on mitochondria was abolished by dithiothreitol (DTT. Phenyllactate and p-hydroxyphenyllactate decreased ROS production in both mitochondria and neutrophils. Bifidobacteria and lactobacilli produced in vitro considerable amounts of phenyllactic and p-hydroxyphenyllactic acids, Clostridia s. produced great quantities of phenylpropionic and p-hydroxyphenylpropionic acids, p-hydroxyphenylacetic acid was produced by Pseudomonas aeruginosa and Acinetobacter baumanii; and benzoic acid, by Serratia marcescens. Conclusions The most potent activators of ROS production in mitochondria are phenolic acids whose effect is mediated via the

  3. Ion-pair chromatography of acidic drug metabolites and endogenic compounds.

    Science.gov (United States)

    Fransson, B; Wahlund, K G; Johansson, I M; Schill, G

    1976-09-29

    Liquid-liquid chromatographic systems based on ion-pair partition with silica microparticles as the support for the stationary phase have been used for the separation of anionic compounds of biochemical and pharmacological interest. A high separating efficiency can be obtained with both aqueous and organic mobile phases and the retention is easily regulated by the nature and the concentration of the quaternary ammonium counter ion, present in the aqueous phase. The influence of the composition of the liquid phases on the selectivity and separating efficiency has been studied, as well as equilibration methods and the stability of the systems. Examples are given of separations of sulphonamides, barbiturates, glucuronic and sulphuric acid conjugates of steroidal compounds and phenols glycine conjugates of carboxylic acids (hippuric, nicotinuric and salicyluric acid) and anionic metabolites of biogenic amines (indoleacetic, benzoic, mandelic and phenylacetic acid derivatives). PMID:10314

  4. Synthesis and Biological Activity of Novel Amino Acid-(N'-Benzoyl Hydrazide and Amino Acid-(N'-Nicotinoyl Hydrazide Derivatives

    Directory of Open Access Journals (Sweden)

    Sherine N. Khattab

    2005-09-01

    Full Text Available The coupling reaction of benzoic acid and nicotinic acid hydrazides with N- protected L-amino acids including valine, leucine, phenylalanine, glutamic acid and tyrosine is reported. The target compounds, N-Boc-amino acid-(N`-benzoyl- and N- Boc-amino acid-(N`-nicotinoyl hydrazides 5a-5e and 6a-6e were prepared in very high yields and purity using N-[(dimethylamino-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl- methylene]-N-methyl-methanaminium hexafluorophosphate N-oxide (HATU as coupling reagent. The antimicrobial activity of the Cu and Cd complexes of the designed compounds was tested. The products were deprotected affording the corresponding amino acid-(N`-benzoyl hydrazide hydrochloride salts (7a-7e and amino acid-(N`- nicotinoyl hydrazide hydrochloride salts (8a-8e. These compounds and their Cu and Cd complexes were also tested for their antimicrobial activity. Several compounds showed comparable activity to that of ampicillin against S. aureus and E. coli.

  5. Ion-exclusion chromatographic behavior of aliphatic carboxylic acids and benzenecarboxylic acids on a sulfonated styrene--divinylbenzene co-polymer resin column with sulfuric acid containing various alcohols as eluent.

    Science.gov (United States)

    Ohta, Kazutoku; Towata, Atsuya; Ohashi, Masayoshi

    2003-05-16

    The addition of C1-C7 alcohols (methanol, ethanol, propanol, butanol, heptanol, hexanol and heptanol) to dilute sulfuric acid as eluent in ion-exclusion chromatography using a highly sulfonated styrene-divinylbenzene co-polymer resin (TSKgel SCX) in the H+ form as the stationary phase was carried out for the simultaneous separations of both (a) C1-C7 aliphatic carboxylic acids (formic, acetic, propionic, isobutyric, butyric, isovaleric, valeric, 2-methylvaleric, isocaproic, caproic, 2,2-dimethyl-n-valeric, 2-methylhexanoic, 5-methylhexanoic and heptanoic acids) and (b) benzenecarboxylic acids (pyromellitic, hemimellitic, trimellitic, o-phthalic, m-phthalic, p-phthalic, benzoic and salicylic acids and phenol). Heptanol was the most effective modifier in ion-exclusion chromatography for the improvement of peak shapes and a reduction in retention volumes for higher aliphatic carboxylic acids and benzenecarboxylic acids. Excellent simultaneous separation and relatively highly sensitive conductimetric detection for these C1-C7 aliphatic carboxylic acids were achieved on the TSKgel SCX column (150 x 6 mm I.D.) in 30 min using 0.5 mM sulfuric acid containing 0.025% heptanol as eluent. Excellent simultaneous separation and highly sensitive UV detection at 200 nm for these benzenecarboxylic acids were also achieved on the TSKgel SCX column in 30 min using 5 mM sulfuric acid containing 0.075% heptanol as eluent. PMID:12830881

  6. Pharmacological Properties of Protocatechuic Acid and Its Potential Roles as Complementary Medicine

    Directory of Open Access Journals (Sweden)

    Yoswaris Semaming

    2015-01-01

    Full Text Available This paper reviews the reported pharmacological properties of protocatechuic acid (PCA, 3,4-dihydroxy benzoic acid, a type of phenolic acid found in many food plants such as olives and white grapes. PCA is a major metabolite of anthocyanin. The pharmacological actions of PCA have been shown to include strong in vitro and in vivo antioxidant activity. In in vivo experiments using rats and mice, PCA has been shown to exert anti-inflammatory as well as antihyperglycemic and antiapoptotic activities. Furthermore, PCA has been shown to inhibit chemical carcinogenesis and exert proapoptotic and antiproliferative effects in different cancerous tissues. Moreover, in vitro studies have shown PCA to have antimicrobial activities and also to exert synergistic interaction with some antibiotics against resistant pathogens. This review aims to comprehensively summarize the pharmacological properties of PCA reported to date with an emphasis on its biological properties and mechanisms of action which could be therapeutically useful in a clinical setting.

  7. Fluorescence of complexes of Eu( Ⅱ ) with aromatic carboxylic acid-1, 1O-phenanthroline

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The 1, 10-phenanthroline-aromatic carboxylic acid (benzoic acid and o-phthalic acid) binary and ternary complexes of europium were synthesized. The fluorescence and FT-IR spectroscopy, elemental analysis, UV spectroscopic studies on these complexes were also performed. These complexes can emit strong red fluorescence of Eu( m ) excited by UV light. At the same excited wavelength, the fluorescence spectra of the complexes were also studied. The results indi cated that the fluorescence intensities of ternary complexes are stronger than that of binary complexes. The reason is that phenanthroline has higher electron density and higher orbit scope in the conjugated system and consequently an easier ener gy transfer to the europium ion, which makes the fluorescence intensity of ternary complexes be stronger than that of bi nary complexes.

  8. Water-Soluble Poly(p-aryleneethynylene)s: A Sensor Array Discriminates Aromatic Carboxylic Acids.

    Science.gov (United States)

    Han, Jinsong; Wang, Benhua; Bender, Markus; Seehafer, Kai; Bunz, Uwe H F

    2016-08-10

    A chemical tongue consisting of 11 elements (four poly(p-aryleneethynylene)s (PAE) at pH 7 and pH 13, and seven electrostatic complexes formed from oppositely charged poly(p-aryleneethynylene)s at pH 7) discriminate 21 benzoic and phenylacetic acid derivatives in aqueous solution. The mechanism of discrimination is the fluorescence modulation of the PAEs, leading to quenching or fluorescence turn-on. The PAEs alone at both pH values and the tongue, consisting of the complexes only, discriminate the 21 acids with 92% (PAEs at pH 7), 95% (PAEs at pH 13), and 99% (complexes at pH 7) reliability after linear discriminant analysis (LDA). A sensor field with all 14 elements, according to LDA, discriminates all of the 21 acids with 100% accuracy. PMID:27415439

  9. Antifungal Activity and Biochemical Response of Cuminic Acid against Phytophthora capsici Leonian.

    Science.gov (United States)

    Wang, Yong; Sun, Yang; Zhang, Ying; Zhang, Xing; Feng, Juntao

    2016-01-01

    Phytophthora blight of pepper caused by Phytophthora capsici Leonian is a destructive disease throughout the world. Cuminic acid, extracted from the seed of Cuminum cyminum L., belongs to the benzoic acid chemical class. In this study, the sensitivity and biochemical response of P. capsici to cuminic acid was determined. The mean EC50 (50% effective concentration) values for cuminic acid in inhibiting mycelial growth and zoospore germination of the 54 studied P. capsici isolates were 14.54 ± 5.23 μg/mL and 6.97 ± 2.82 μg/mL, respectively. After treatment with cuminic acid, mycelial morphology, sporangium formation and mycelial respiration were significantly influenced; cell membrane permeability and DNA content increased markedly, but pyruvic acid content, adenosine triphosphate (ATP) content, and ATPase activity decreased compared with the untreated control. In pot experiments, cuminic acid exhibited both protective and curative activity. Importantly, POD and PAL activity of the pepper leaves increased after being treated with cuminic acid. These indicated that cuminic acid not only showed antifungal activity, but also could improve the defense capacity of the plants. All the results suggested that cuminic acid exhibits the potential to be developed as a new phytochemical fungicide, and this information increases our understanding of the mechanism of action of cuminic acid against Phytophthora capsici. PMID:27294911

  10. Sample stacking for determination of aromatic acid impurities by microemulsion electrokinetic chromatography.

    Science.gov (United States)

    Huang, Hsi-Ya; Lin, Yu-Ru; Hsieh, Shih-Huan

    2009-01-19

    In this study, a sample stacking step coupled with microemulsion electrokinetic chromatography (MEEKC) was used to detect and analyze nine aromatic acids (benzoic acid (BA), isophthalic acid (IPA), terephthalic acid (TPA), p-toluic acid (p-TA), 4-carboxylbenzaldehyde (4-CBA), trimesic acid (TSA), trimellitic acid (TMA), o-phthalic acid (OPA), and hemimellitic acid (HMA)) which are common impurities produced during aromatic acid synthesis. First, the presence of both acid and water plugs at the front of the capillary improved the reproducibility in retention time and peak intensity of the tested analytes in the stacking method. Second, the pH and the electrolyte type of acidic plug and sample matrix were found to be the predominant influences on the aromatic acid stacking. The detection limits of these aromatic acids were reduced to the range of 0.00007-0.00032 microg mL(-1) by this optimal sample stacking step. This proposed on-line concentration MEEKC method was able to detect trace levels of aromatic acid impurities in commercial aromatic acid products that were not previously possible by the normal MEEKC method. Furthermore, these results in comparison with our previous studies on sample stacking MEEKC method indicated that all acidic species were concentrated by this simple stacking procedure. The sensitivity enhancement, however, was highly dependent on the types of functional groups present in the structures of analytes, and the enhancement was in the order of first the compounds carrying both carboxy and hydroxy groups (e.g. phenolic acid), followed by carboxylic acid compounds (e.g. aromatic acid), and then phenol compounds (e.g. polyphenol). PMID:19100895

  11. Radiation chemistry of salicylic and methyl substituted salicylic acids: Models for the radiation chemistry of pharmaceutical compounds

    International Nuclear Information System (INIS)

    Salicylic acid and its derivatives are components of many medications and moieties found in numerous pharmaceutical compounds. They have been used as models for various pharmaceutical compounds in pharmacological studies, for the treatment of pharmaceuticals and personal care products (PPCPs), and, reactions with natural organic matter (NOM). In this study, the radiation chemistry of benzoic acid, salicylic acid and four methyl substituted salicylic acids (MSA) is reported. The absolute bimolecular reaction rate constants for hydroxyl radical reaction with benzoic and salicylic acids as well as 3-methyl-, 4-methyl-, 5-methyl-, and 6-methyl-salicylic acid were determined (5.86±0.54)×109, (1.07±0.07)×1010, (7.48±0.17)×109, (7.31±0.29)×109, (5.47±0.25)×109, (6.94±0.10)×109 (M−1 s−1), respectively. The hydrated electron reaction rate constants were measured (3.02±0.10)×109, (8.98±0.27)×109, (5.39±0.21)×109, (4.33±0.17)×109, (4.72±0.15)×109, (1.42±0.02)×109 (M−1 s−1), respectively. The transient absorption spectra for the six model compounds were examined and their role as model compounds for the radiation chemistry of pharmaceuticals investigated. - Highlights: • Free radical chemistry of salicylic and 4 methyl salicylic acids is investigated. • The transient absorptions spectra for model compounds are measured. • Absolute bimolecular reaction rate constants for hydroxyl radical are determined. • Solvated electron reaction rate constants are calculated. • The use of salicylic acids as models for pharmaceuticals is explored

  12. Fenton-like oxidation of small aromatic acids from biomass burning in atmospheric water and in the absence of light: Identification of intermediates and reaction pathways.

    Science.gov (United States)

    Santos, Patrícia S M; Domingues, M Rosário M; Duarte, Armando C

    2016-07-01

    A previous work showed that the night period is important for the occurrence of Fenton-like oxidation of small aromatic acids from biomass burning in atmospheric waters, which originate new chromophoric compounds apparently more complex than the precursors, although the chemical transformations involved in the process are still unknown. In this work were identified by gas chromatography-mass spectrometry (GC-MS) and by electrospray mass spectrometry (ESI-MS) the organic intermediate compounds formed during the Fenton-like oxidation of three aromatic acids from biomass burning (benzoic, 4-hydroxybenzoic and 3,5-dihydroxybenzoic acids), the same compounds evaluated in the previous study, in water and in the absence of light, which in turns allows to disclose the chemical reaction pathways involved. The oxidation intermediate compounds found for benzoic acid were 2-hydroxybenzoic, 3-hydroxybenzoic, 4-hydroxybenzoic, 2,3-dihydroxybenzoic, 2,5-dihydroxybenzoic, 2,6-dihydroxybenzoic and 3,4-dihydroxybenzoic acids. The oxidation intermediates for 4-hydroxybenzoic acid were 3,4-hydroxybenzoic acid and hydroquinone, while for 3,5-dihydroxybenzoic acid were 2,4,6-trihydroxybenzoic and 3,4,5-trihydroxybenzoic acids, and tetrahydroxybenzene. The results suggested that the hydroxylation of the three small aromatic acids is the main step of Fenton-like oxidation in atmospheric waters during the night, and that the occurrence of decarboxylation is also an important step during the oxidation of the 4-dihydroxybenzoic and 3,5-dihydroxybenzoic acids. In addition, it is important to highlight that the compounds produced are also small aromatic compounds with potential adverse effects on the environment, besides becoming available for further chemical reactions in atmospheric waters. PMID:27088537

  13. Amino acids

    Science.gov (United States)

    Amino acids are organic compounds that combine to form proteins . Amino acids and proteins are the building blocks of life. When proteins are digested or broken down, amino acids are left. The human body uses amino acids ...

  14. Structure Activity Relationship of Phenolic Acid inhibitors of α-Synuclein Fibril Formation and Toxicity

    Directory of Open Access Journals (Sweden)

    Mustafa eArdah

    2014-08-01

    Full Text Available The aggregation of α-synuclein (α-syn is considered the key pathogenic event in many neurological disorders such as Parkinson’s disease (PD, dementia with Lewy bodies and multiple system atrophy, giving rise to a whole category of neurodegenerative diseases known as synucleinopathies. Although the molecular basis of α-syn toxicity has not been precisely elucidated, a great deal of effort has been put into identifying compounds that could inhibit or even reverse the aggregation process. Previous reports indicated that many phenolic compounds are potent inhibitors of α-syn aggregation. The aim of the present study was to assess the anti-aggregating effect of gallic acid (GA (3,4,5-trihydroxybenzoic acid, a benzoic acid derivative that belongs to a group of phenolic compounds known as phenolic acids. By employing an array of biophysical and biochemical techniques and a cell-viability assay, GA was shown not only to inhibit α-syn fibrillation and toxicity but also to disaggregate preformed α-syn amyloid fibrils. Interestingly, GA was found to bind to soluble, non-toxic oligomers with no β-sheet content, and to stabilize their structure. The binding of GA to the oligomers may represent a potential mechanism of action. Additionally, by using structure activity relationship data obtained from fourteen structurally similar benzoic acid derivatives, it was determined that the inhibition of α-syn fibrillation by GA is related to the number of hydroxyl moieties and their position on the phenyl ring. GA may represent the starting point for designing new molecules that could be used for the treatment of PD and related disorders.

  15. Chemical oxidation of phenolic acids by soil iron and manganese oxides

    International Nuclear Information System (INIS)

    The oxidation of six phenolic acids by soil Fe and Mn oxides was demonstrated by changes in phenolic acid extractability from soil with time, by production of Fe(II) and soluble Mn from the oxidation reaction, by quantitative recoveries of added phenolic acids from soil pretreated with dithionite-citrate to remove Fe and Mn oxides, and by the reactivity of phenolic acids in the presence of pure Mn and Fe oxides. The reactivities of phenolic acids were associated with the structures of the chemicals. Increasing methoxy substitution on the aromatic ring increased reactivity, and cinnamic acid derivatives were more reactive than benzoic acid derivatives. Oxidation products of 14C labeled ferulic acid were sorbed to MnO2 within minutes and were unextractable by organic solvents unless the mineral was pretreated with 6 M HCl or 0.5 M NaOH. The oxidation rate of ferulic acid by MnO2 approached zero after four days even with a surplus of reactants

  16. Chemical and enzymatic stability of amino acid prodrugs containing methoxy, ethoxy and propylene glycol linkers.

    Science.gov (United States)

    Gupta, Deepak; Gupta, Sheeba Varghese; Lee, Kyung-Dall; Amidon, Gordon L

    2009-01-01

    We evaluated the chemical and enzymatic stabilities of prodrugs containing methoxy, ethoxy and propylene glycol linkers in order to find a suitable linker for prodrugs of carboxylic acids with amino acids. l-Valine and l-phenylalanine prodrugs of model compounds (benzoic acid and phenyl acetic acid) containing methoxy, ethoxy and propylene glycol linkers were synthesized. The hydrolysis rate profile of each compound was studied at physiologically relevant pHs (1.2, 4, 6 and 7.4). Enzymatic hydrolysis of propylene glycol containing compounds was studied using Caco-2 homogenate as well as purified enzyme valacyclovirase. It was observed that the stability of the prodrugs increases with the linker length (propyl > ethyl > methyl). The model prodrugs were stable at acidic pH as compared to basic pH. It was observed that the prodrug with the aliphatic amino acid promoiety was more stable compared to its aromatic counterpart. The comparison between benzyl and the phenyl model compounds revealed that the amino acid side chain is significant in determining the stability of the prodrug whereas the benzyl or phenyl carboxylic acid had little or no effect on the stability. The enzymatic activation studies of propylene glycol linker prodrug in the presence of valacyclovirase and cell homogenate showed faster generation of the parent drug at pH 7.4. The half-life of prodrugs at pH 7.4 was more than 12 h, whereas in the presence of cell homogenate the half-lives were less than 1 h. Hydrolysis by Caco-2 homogenate generated the parent compound in two steps, where the prodrug was first converted to the intermediate, propylene glycol benzoate, which was then converted to the parent compound (benzoic acid). Enzymatic hydrolysis of propylene glycol containing prodrugs by valacyclovirase showed hydrolysis of the amino acid ester part to generate the propylene glycol ester of model compound (propylene glycol benzoate) as the major product. The amino acid prodrugs containing methoxy

  17. Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A.

    Science.gov (United States)

    Patrone, James D; Pelz, Nicholas F; Bates, Brittney S; Souza-Fagundes, Elaine M; Vangamudi, Bhavatarini; Camper, Demarco V; Kuznetsov, Alexey G; Browning, Carrie F; Feldkamp, Michael D; Frank, Andreas O; Gilston, Benjamin A; Olejniczak, Edward T; Rossanese, Olivia W; Waterson, Alex G; Chazin, Walter J; Fesik, Stephen W

    2016-04-19

    Replication protein A (RPA) is an essential single-stranded DNA (ssDNA)-binding protein that initiates the DNA damage response pathway through protein-protein interactions (PPIs) mediated by its 70N domain. The identification and use of chemical probes that can specifically disrupt these interactions is important for validating RPA as a cancer target. A high-throughput screen (HTS) to identify new chemical entities was conducted, and 90 hit compounds were identified. From these initial hits, an anthranilic acid based series was optimized by using a structure-guided iterative medicinal chemistry approach to yield a cell-penetrant compound that binds to RPA70N with an affinity of 812 nm. This compound, 2-(3- (N-(3,4-dichlorophenyl)sulfamoyl)-4-methylbenzamido)benzoic acid (20 c), is capable of inhibiting PPIs mediated by this domain. PMID:26748787

  18. Enhancing proton conduction via doping of supramolecular liquid crystals (4-alkoxybenzoic acids) with imidazole

    Science.gov (United States)

    Liang, Ting; Wu, Yong; Tan, Shuai; Yang, Xiaohui; Wei, Bingzhuo

    2015-09-01

    Enhancing proton conduction via doping was first achieved in hydrogen-bonded liquid crystals consisting of benzoic acids. Supramolecular liquid crystals formed by pure 4-alkoxybenzoic acids (nAOBA, n = 8, 10, 12) exhibited the maximum proton conductivity of 5.0 × 10-8 S cm-1. Doping of nAOBA with 25 mol% imidazole (Im0.25) had little impact on mesomorphism but increased proton conductivities by at least 3 orders of magnitude. The liquid crystals formed by nAOBA-Im0.25 exhibited the maximum proton conductivity of 1.9 × 10-4 S cm-1. It was proposed that structure diffusion of imidazole bridged interdimer proton transfer to form continuous conducting pathways in mesomorphic nAOBA-Im0.25.

  19. Enzymatic Acylation of Anthocyanin Isolated from Black Rice with Methyl Aromatic Acid Ester as Donor: Stability of the Acylated Derivatives.

    Science.gov (United States)

    Yan, Zheng; Li, Chunyang; Zhang, Lixia; Liu, Qin; Ou, Shiyi; Zeng, Xiaoxiong

    2016-02-10

    The enzymatic acylation of anthocyanin from black rice with aromatic acid methyl esters as acyl donors and Candida antarctica lipase B was carried out under reduced pressure. The highest conversion of 91% was obtained with benzoic acid methyl ester as acyl donor; cyanidin 3-(6″-benzoyl)-glucoside, cyanidin 3-(6″-salicyloyl)-glucoside, and cyanidin 3-(6″-cinnamoyl)-glucoside were successfully synthesized. This is the first report on the enzymatic acylation of anthocyanin from black rice with methyl aromatic esters as acyl donors and lipase as biocatalyst. Furthermore, the acylation with aromatic carboxylic acids enhanced both the thermostability and light resistivity of anthocyanin. In particular, cyanidin 3-(6″-cinnamoyl)-glucoside was the most stable among the three acylated anthocyanins synthesized. PMID:26766135

  20. Synthesis, crystal structure and Thermogravimetry of ortho-phthalic acid bridged coordination polymer of Copper(II)

    Indian Academy of Sciences (India)

    BABITA SARMA; SAURAV BHARALI; DIGANTA KUMAR DAS

    2016-06-01

    Coordination polymer of Cu(II) bridged by o-phthalic acid alone is not known. The reaction of$CuCl_{2}.2H_{2}O$ with (2-butoxycarbonyl)benzoic acid yielded three dimensional coordination polymer bridged byo-phthalic acid. X-ray crystal structure shows structure with monoclinic P21/c space group. o-Phthalic acidmolecules act as bridge between two Cu(II), one carboxylate binds to one Cu(II) as bidentate while the othercarboxylate binds to another Cu(II) as monodentate. The four planar co-ordination positions of Cu(II) aresatisfied by two chelated carboxylates while fifth and sixth co-ordination positions are satisfied by monodentatecarboxylates. EPR and TGA of the coordination polymer are also reported.

  1. Structurally modified fatty acids - clinical potential as tracers of metabolism

    Energy Technology Data Exchange (ETDEWEB)

    Dudczak, R.; Schmoliner, R.; Angelberger, P.; Knapp, F.F.; Goodman, M.M.

    1985-01-01

    Recently 15-p-iodophenyl-betamethyl-pentadecanoic acid (BMPPA) was proposed for myocardial scintigraphy, as possible probe of metabolic processes other than ..beta..-oxidation. In 19 patients myocardial scintigraphy was done after i.v. BMPPA (2 to 4 mCi). Data were collected (LAO 45/sup 0//14; anterior/5) for 100 minutes in the fasted patients. From heart (H) and liver (L) organ to background (BG) ratios were calculated, and the elimination (E) behavior was analyzed from BG (V. cava region) corrected time activity curves. In 10 patients plasma and urine were examined. By CHCl/sub 3//MeOH extraction of plasma samples (90 min. pi) both in water and in organic medium soluble catabolites were found. TLC fractionation showed that those were co-migrating, compared to standards, with benzoic acid, BMPPA and triglycerides. In urine (0 to 2h pi: 4.1% dose) hippuric acid was found. It is concluded that BMPPA is a useful agent for myocardial scintigraphy. Its longer retention in the heart compared to unbranched radioiodinated fatty acids may facilitate SPECT studies. Rate of elimination and plasma analysis indicate the metabolic breakdown of BMPPA. Yet, the complexity of the supposed mechanism may impede curve interpretation in terms of specific metabolic pathways. 19 refs., 5 tabs.

  2. Species transformation and structure variation of fulvic acid during ozonation

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The species transformation and structure variation of fulvic acid (FA) during ozonation were investi- gated in this study. The molecular weight (MW) distribution, the species of intermediate products and the variation of polar functional groups were studied by ultrafiltration, gas chromatography/mass spectrometry (GC/MS) and titration analyses respectively. The average MW of FA decreased signifi- cantly during ozonation. The amount of polar functional groups (carboxylic and phenolic (ph-OH) groups) per unit DOC (mol/kg C) increased with increasing ozonation time. Furthermore, GC/MS ex- periments demonstrated the formation of polar species (e.g., hexadecanoic acid, benzoic acid and oc- tadecanoic alcohol) and less-polar species (e.g., aliphatic hydrocarbons and butanedioic acid, bis(2-methylpropyl) ester). Electron spin resonance (ESR) measurements proved the presence of ·OH radicals in the ozonation system. Based on our experimental results, it appears that the oxidations by ozone molecule and ·OH radicals were responsible for the transformation of organics (FA and its oxi- dation products) during ozonation. These two oxidants showed significant influence on organics transformation and exhibited different mechanisms contributing to these processes.

  3. Reactivity of cyclohex-1-enylcarboxylic and 2-methylcyclohex-1-enylcarboxylic acids with diazodiphenylmethane in aprotic solvents

    Directory of Open Access Journals (Sweden)

    VERA V. KRSTIC

    2000-12-01

    Full Text Available Rate constants for the reaction of diazodiphenylmethane with cyclohex-1-enylcarboxylic acid and 2-methylcyclohex-1-enylcarboxylic acid were determined in nine aprotic solvents, as well as in seven protic solvents, at 30°C using the appropriate UV-spectroscopic method. In protic solvents the unsubsituted acid displayed higher reaction rates than the methyl-substituted one. The results in aprotic solvents showed quite the opposite, and the reaction rates were considerably lower. In order to explain the obtained results through solvent effects, reaction rate constants (k of the examined acids were correlated using the total solvatochromic equation of the form: log k=logk0+sp*+aa+bb, where p* is the measure of the solvent polarity, a represents the scale of the solvent hydrogen bond donor acidities (HBD and b represents the scale of the solvent hydrogen bond acceptor basicities (HBA. The correlation of the kinetic data were carried out by means of multiple linear regression analysis and the opposite effects of aprotic solvents, as well as the difference in the influence of protic and aprotic solvents on the reaction of the two examined acids with DDM were discussed. The results presented in this paper for cyclohex-1-enylcarboxylic and 2-methylcyclohex-1-enylcarboxylic acids were compared with the kinetic data for benzoic acid obtained in the same chemical reaction, under the same experimental conditions.

  4. Characterization of phytochemicals and antioxidant activities of red radish brines during lactic acid fermentation.

    Science.gov (United States)

    Jing, Pu; Song, Li-Hua; Shen, Shan-Qi; Zhao, Shu-Juan; Pang, Jie; Qian, Bing-Jun

    2014-01-01

    Red radish (Raphanus L.) pickles are popular appetizers or spices in Asian-style cuisine. However, tons of radish brines are generated as wastes from industrial radish pickle production. In this study, we evaluated the dynamic changes in colour properties, phenolics, anthocyanin profiles, phenolic acid composition, flavonoids, and antioxidant properties in radish brines during lactic acid fermentation. The results showed that five flavonoids detected were four anthocyanins and one kaempferol derivative, including pelargonidin-3-digluoside-5-glucoside derivatives acylated with p-coumaric acid, ferulic acid, p-coumaric and manolic acids, or ferulic and malonic acids. Amounts ranged from 15.5-19.3 µg/mL in total monomeric anthocyanins, and kaempferol-3,7-diglycoside (15-30 µg/mL). 4-Hydroxy-benzoic, gentisic, vanillic, syringic, p-coumaric, ferulic, sinapic and salicylic acids were detected in amounts that varied from 70.2-92.2 µg/mL, whereas the total phenolic content was 206-220 µg/mL. The change in colour of the brine was associated with the accumulation of lactic acid and anthocyanins. The ORAC and Fe2+ chelation capacity of radish brines generally decreased, whereas the reducing power measured as FRAP values was increased during the fermentation from day 5 to day 14. This study provided information on the phytochemicals and the antioxidative activities of red radish fermentation waste that might lead to further utilization as nutraceuticals or natural colorants. PMID:25004074

  5. Formation of β-glucogallin, the precursor of ellagic acid in strawberry and raspberry

    Science.gov (United States)

    Schulenburg, Katja; Feller, Antje; Hoffmann, Thomas; Schecker, Johannes H.; Martens, Stefan; Schwab, Wilfried

    2016-01-01

    Ellagic acid/ellagitannins are plant polyphenolic antioxidants that are synthesized from gallic acid and have been associated with a reduced risk of cancer and cardiovascular diseases. Here, we report the identification and characterization of five glycosyltransferases (GTs) from two genera of the Rosaceae family (Fragaria and Rubus; F.×ananassa FaGT2*, FaGT2, FaGT5, F. vesca FvGT2, and R. idaeus RiGT2) that catalyze the formation of 1-O-galloyl-β-d-glucopyranose (β-glucogallin) the precursor of ellagitannin biosynthesis. The enzymes showed substrate promiscuity as they formed glucose esters of a variety of (hydroxyl)benzoic and (hydroxyl)cinnamic acids. Determination of kinetic values and site-directed mutagenesis revealed amino acids that affected substrate preference and catalytic activity. Green immature strawberry fruits were identified as the main source of gallic acid, β-glucogallin, and ellagic acid in accordance with the highest GT2 gene expression levels. Injection of isotopically labeled gallic acid into green fruits of stable transgenic antisense FaGT2 strawberry plants clearly confirmed the in planta function. Our results indicate that GT2 enzymes might contribute to the production of ellagic acid/ellagitannins in strawberry and raspberry, and are useful to develop strawberry fruit with additional health benefits and for the biotechnological production of bioactive polyphenols. PMID:26884604

  6. Characterization of Phytochemicals and Antioxidant Activities of Red Radish Brines during Lactic Acid Fermentation

    Directory of Open Access Journals (Sweden)

    Pu Jing

    2014-07-01

    Full Text Available Red radish (Raphanus L. pickles are popular appetizers or spices in Asian-style cuisine. However, tons of radish brines are generated as wastes from industrial radish pickle production. In this study, we evaluated the dynamic changes in colour properties, phenolics, anthocyanin profiles, phenolic acid composition, flavonoids, and antioxidant properties in radish brines during lactic acid fermentation. The results showed that five flavonoids detected were four anthocyanins and one kaempferol derivative, including pelargonidin-3-digluoside-5-glucoside derivatives acylated with p-coumaric acid, ferulic acid, p-coumaric and manolic acids, or ferulic and malonic acids. Amounts ranged from 15.5–19.3 µg/mL in total monomeric anthocyanins, and kaempferol-3,7-diglycoside (15–30 µg/mL. 4-Hydroxy-benzoic, gentisic, vanillic, syringic, p-coumaric, ferulic, sinapic and salicylic acids were detected in amounts that varied from 70.2–92.2 µg/mL, whereas the total phenolic content was 206–220 µg/mL. The change in colour of the brine was associated with the accumulation of lactic acid and anthocyanins. The ORAC and Fe2+ chelation capacity of radish brines generally decreased, whereas the reducing power measured as FRAP values was increased during the fermentation from day 5 to day 14. This study provided information on the phytochemicals and the antioxidative activities of red radish fermentation waste that might lead to further utilization as nutraceuticals or natural colorants.

  7. Synthesis, coordination and biological aspects of organotin(IV) derivatives of 4-[(2,4-dinitrophenyl)amino)]-4-oxo-2-butenoic acid and 2-{[(2,4-dinitrophenyl)amino]carbonyl}benzoic acid

    OpenAIRE

    KHADIJA SHAHID; SAIRA SHAHZADI; SAQIB ALI

    2009-01-01

    New series of organotin(IV) complexes of aniline derivatives, R2SnL2 and R3SnL [where R = Me, n-Bu, Ph, n-Oct] have been synthesized by the reaction of HL1 and HL2 with respective organotin halides or oxides. Experimental details for the preparation and characterization (including elemental analysis, IR and multinuclear NMR (1H-, 13C- and 119Sn-) spectra in CDCl3 and EI mass spectra of both series are provided. The binding sites of the ligands were identified by means of FTIR spectroscopic me...

  8. Synthesis, coordination and biological aspects of organotin(IV derivatives of 4-[(2,4-dinitrophenylamino]-4-oxo-2-butenoic acid and 2-{[(2,4-dinitrophenylamino]carbonyl}benzoic acid

    Directory of Open Access Journals (Sweden)

    KHADIJA SHAHID

    2009-02-01

    Full Text Available New series of organotin(IV complexes of aniline derivatives, R2SnL2 and R3SnL [where R = Me, n-Bu, Ph, n-Oct] have been synthesized by the reaction of HL1 and HL2 with respective organotin halides or oxides. Experimental details for the preparation and characterization (including elemental analysis, IR and multinuclear NMR (1H-, 13C- and 119Sn- spectra in CDCl3 and EI mass spectra of both series are provided. The binding sites of the ligands were identified by means of FTIR spectroscopic measurements. It was found that in all cases the organotin(IV moiety reacts with the oxygen of COO– group to form new complexes. In the diorganotin complexes, the COO– group is coordinated to the organotin(IV centres in a bidentate manner in the solid state. The 119Sn NMR data and the nJ(13C‑119/117Sn coupling constant support the tetrahedral coordination geometry of the organotin complexes in non-coordinating solvents. Biological activities (antibacterial, antifungal, cytotoxicity, antileishmanial and insecticidal of these compounds are also reported.

  9. 气相色谱法测定糕点中山梨酸和苯甲酸的含量%Determination of Sorbic Acid and Benzoic Acid in Cake and Pastry by Gas Chromatography

    Institute of Scientific and Technical Information of China (English)

    陈子雷; 张红; 王文博; 丁蕊艳; 杜红霞; 李瑞菊; 李慧冬

    2006-01-01

    目的 建立了糕点中山梨酸和苯甲酸的毛细管气相色谱检测方法.方法 样品加有机溶剂并用高速匀浆的方法提取后,通过改变酸碱度而改变样品在有机相和水相中分配比的方法,去除脂肪等杂质的干扰,用FFAP毛细管色谱柱分离,FID检测器进行检测.结果 本法的变异系数为1.2%~3.9%,回收率为89.0%~99.2%,最低检出限为1 mg/kg.结论 本法具有步骤简单、准确度和灵敏度高的特点,适用于糕点中山梨酸和苯甲酸的检测.

  10. A novel ionic liquid-modified organic-polymer monolith as the sorbent for in-tube solid-phase microextraction of acidic food additives.

    Science.gov (United States)

    Wang, Ting-Ting; Chen, Yi-Hui; Ma, Jun-Feng; Hu, Min-Jie; Li, Ying; Fang, Jiang-Hua; Gao, Hao-Qi

    2014-08-01

    A novel ionic liquid-modified organic-polymer monolithic capillary column was prepared and used for in-tube solid-phase microextraction (SPME) of acidic food additives. The primary amino group of 1-aminopropyl-3-methylimidazolium chloride was reacted with the epoxide group of glycidyl methacrylate. The as-prepared new monomer was then copolymerized in situ with acrylamide and N,N'-methylenebisacrylamide in the presence of polyethylene glycol (PEG)-8000 and PEG-10,000 as porogens. The extraction performance of the developed monolithic sorbent was evaluated for benzoic acid, 3-hydroxybenzoic acid, cinnamic acid, 2,4-dichlorophenoxyacetic acid, and 3-(trifluoromethyl)-cinnamic acid. Such a sorbent, bearing hydrophobic and anion-exchange groups, had high extraction efficiency towards the test compounds. The adsorption capacities for the analytes dissolved in water ranged from 0.18 to 1.74 μg cm(-1). Good linear calibration curves (R(2) > 0.99) were obtained, and the limits of detection (S/N = 3) for the analytes were found to be in the range 1.2-13.5 ng mL(-1). The recoveries of five acidic food additives spiked in Coca-Cola beverage samples ranged from 85.4 % to 98.3 %, with RSD less than 6.9 %. The excellent applicability of the ionic liquid (IL)-modified monolithic column was further tested by the determination of benzoic acid content in Sprite samples, further illustrating its good potential for analyzing food additives in complex samples. PMID:24939131

  11. Effect of carbonyl inhibitors and their H₂O₂ detoxification on lactic acid fermentation.

    Science.gov (United States)

    Li, Jing; Zhu, Caiqing; Tu, Maobing; Han, Pingping; Wu, Yonnie

    2015-04-01

    Biomass degradation compounds significantly inhibit biochemical conversion of biomass prehydrolysates to biofuels and chemicals, such as lactic acid. To characterize the structure-activity relationship of carbonyl inhibition on lactic acid fermentation, we examined effects of eight carbonyl compounds (furfural, 5-hydroxymethyl furfural, vanillin, syringaldehyde, 4-hydroxybenzaldehyde, phthalaldehyde, benzoic acid, and pyrogallol aldehyde) and creosol on lactic acid production by Lactobacillus delbrueckii. Pyrogallol aldehyde reduced the cell growth rate by 35 % at 1.0 mM and inhibited lactic acid production completely at 2.0 mM. By correlating the molecular descriptors to the inhibition constants in lactic acid fermentation, we found a good relationship between the hydrophobicity (Log P) of aldehydes and their inhibition constants in fermentation. The inhibitory effect of carbonyl inhibitors appeared to correlate with their thiol reactivity as well. In addition, we found that H2O2 detoxified pyrogallol aldehyde and phthalaldehyde inhibitory activity. H2O2 detoxification was applied to real biomass prehydrolysates in lactic acid fermentation. PMID:25666370

  12. Evaluation of exo-endo ratios in the halolactonization of omega-unsaturated acids.

    Science.gov (United States)

    Roux, M C; Paugam, R; Rousseau, G

    2001-06-15

    The reaction of 2-(omega-alkenyl)benzoic acids with bis(collidine)iodine and bis(collidine)bromine hexafluorophosphate was examined. Except with 2-but-3-enylbenzoic acid, for which only the exo lactone was obtained, for the other acids a mixture of exo-endo lactones was always obtained. The proportion of endo lactone was important for the acid chain length of 11 carbons (formation of a 12-membered ring endo lactone) and for the acid chain lengths higher than 14 carbons. The formation of the endo lactones was explained, on the base of molecular calculations, by competition between electronic and steric effects. These latter were developed by transannular interactions (for the acid chain lengths 8-11) and/or the conformations adopted by the chains (for the acid chain lengths > or = 14,) which disfavored the formation of the exo lactones. The larger proportion of endo lactones observed with the bromo reagent compared to the iodo reagent seemed due to electronic factors. PMID:11397168

  13. Acid Rain.

    Science.gov (United States)

    Openshaw, Peter

    1987-01-01

    Provides some background information on acid deposition. Includes a historical perspective, describes some effects of acid precipitation, and discusses acid rain in the United Kingdom. Contains several experiments that deal with the effects of acid rain on water quality and soil. (TW)

  14. Analysis of aliphatic carboxylic acids in anaerobic digestion process waters by ion-exclusion chromatography

    Institute of Scientific and Technical Information of China (English)

    Kazuaki ITO; Kazuhiko TANAKA; Jun SAKAMOTO; Kazuya NAGAOKA; Yohichi TAKAYAMA; Takashi KANAHORI; Hiroshi SUNAHARA; Tsuneo HAYASHI; Shinji SATO; Takeshi HIROKAWA

    2012-01-01

    The analysis of seven aliphatic carboxylic acids ( formic,acetic,propionic,iso-butyric,n-butyric,iso-valeric and n-valeric acid) in anaerobic digestion process waters for biogas production was examined by ion-exclusion chromatography with dilute acidic eluents (benzoic acid,perfluorobutyric acid (PFBA) and sulfuric acid) and non-suppressed conductivity/ultraviolet (UV) detection.The columns used were a styrene/divinylbenzene-based strongly acidic cation-exchange resin column ( TSKgel SCX) and a polymethacrylate-based weakly acidic cation-exchange resin column ( TSKgel Super IC-A/C ).Good separation was performed on the TSKgel SCX in shorter retention times.For the TSKgel Super IC-A/C,peak shape of the acids was sharp and symmetrical in spite of longer retention times.In addition,the mutual separation of the acids was good except for iso- and n-butyric acids.The better separation and good detection was achieved by using the two columns (TSKgel SCX and TSKgel Super IC-A/C connected in series),lower concentrations of PFBA and sulfuric acid as eluents,non-suppressed conductivity detection and UV detection at 210 nm.This analysis was applied to anaerobic digestion process waters.The chromatograms with conductivity detection were relatively simpler compared with those of UV detection.The use of two columns with different selectivities for the aliphatic carboxylic acids and the two detection modes was effective for the determination and identification of the analytes in anaerobic digestion process waters containing complex matrices.

  15. Determining organic impurities in mother liquors from oxidative terephthalic acid synthesis by microemulsion electrokinetic chromatography.

    Science.gov (United States)

    Huang, Hsi-Ya; Wei, Mercury; Lin, Yu-Ru; Lu, Pin-Hsuan

    2009-03-20

    In this study, a microemulsion electrokinetic chromatography (MEEKC) method was developed to analyze and detect several aromatic acids (benzoic acid (BA), isophthalic acid (IPA), terephthalic acid (TPA), p-toluic acid (p-TA), 4-carboxylbenzaldehyde (4-CBA), trimesic acid (TSA), trimellitic acid (TMA), o-phthalic acid (OPA), and hemimellitic acid (HMA)), which are common organic impurities produced by liquid-phase catalytic oxidation of p-xylene to TPA. The effects of microemulsion composition, column temperature, column length and applied voltage were examined in order to optimize the aromatic acid separations. This work demonstrated that variation in the concentration of surfactant (sodium dodecyl sulfate (SDS)) and oil phase (octane) had a pronounced effect on separation of the nine aromatic acids. It was also found that a decrease in column length had the greatest effect on shortening separation time and improving separation resolution for these aromatic acids when compared to that of an increase in column temperature or applied voltage. However, the nature and concentration of cosurfactants and organic modifiers were found to play only minor roles in the separation mechanism. Thus, a separation with baseline resolution was achieved within 14 min by using a microemulsion solution of pH 2.0 containing 3.7% SDS, 0.975% octane, and 5.0% cyclohexanol; and a 50-cm capillary column (effective length of 40-cm) at 26 degrees C. As a result, the developed MEEKC method successfully determined eight impurities of aromatic acids in the mother liquors produced from the oxidation synthesis of TPA. PMID:19167001

  16. Intercalação e funcionalização da brucita com ácidos carboxílicos Intercalation and functionalization of brucite with carboxylic acids

    Directory of Open Access Journals (Sweden)

    Fernando Wypych

    2005-02-01

    Full Text Available Brucite (Mg(OH2 is a structural model of several natural layered minerals as well as of synthetic layered double hydroxides (LDH. Exchange reaction studies of these compounds are well documented in the literature but surface chemical modifications, especially for brucite, are quite rare. We report the behaviour of brucite in reaction with succinic and benzoic acid in different solvents and temperatures. The compounds were analysed through X-ray diffraction (XRD and infrared spectroscopy (FTIR. The surfaces of brucite crystals were grafted producing expansions, attributed to the arrangement of the grafted species between the layers.

  17. Transport properties and association behaviour of the zwitterionic drug 5-aminolevulinic acid in water. A precision conductometric study.

    Science.gov (United States)

    Merclin, Nadia; Beronius, Per

    2004-02-01

    The behavior of the hydrochloride salt of 5-aminolevulinic acid (ALA-HCl) with respect to transport properties and dissociation in aqueous solution at 25 degrees C has been studied using precision conductometry within the concentration range 0.24-5.17mM. The conductivity data are interpreted according to elaborated conductance theory. The carboxyl group appears to be, in practice, undissociated. The dissociation constant, K(a), of the NH(3)(+) form of the amino acid molecules is determined to 6.78x10(-5) (molarity scale); pK(a)=4.17. The limiting molar conductivity of the ALA-H(+) ion, lambda(0)=33.5cm(2)Omega(-1)mol(-1); electric mobility u=3.47x10(-4)cm(2)V(-1)s(-1), is close to the electric mobilites of the acetate and benzoic ions. PMID:14757508

  18. Mechanistic chemistry of oxidation of balsalazide with acidic chloramine-T and bromamine-T: A comparative spectrophotometric kinetic study

    Indian Academy of Sciences (India)

    Puttaswamy; S Dakshayani

    2014-11-01

    Balsalazide (BSZ) belongs to a class of non-steroidal anti-inflammatory drugs. Kinetics and mechanism of oxidation of BSZ with sodium N-halo-p-toluenesulfonamides viz., chloramine-T(CAT) and bromamine-T(BAT) in HClO4 medium have been spectrophotometrically investigated (max =357nm) at 303 K. Under comparable experimental conditions, reactions with both the oxidants follow a first-order dependence of rate on [BSZ] and fractional-order dependence on each [oxidant] and [HClO4]. Activation parameters and reaction constants have been computed. 2-hydroxy-5-nitroso-benzoic acid and 3-(4-nitroso-benzoylamino)-propionic acid are identified as the oxidation products of BSZ with both CAT and BAT. The rate of oxidation of BSZ is about five-fold faster with BAT than with CAT. Plausible mechanism and related rate law have been deduced for the observed kinetics.

  19. Influence of additives on electrodeposition of bright Zn–Ni alloy on mild steel from acid sulphate bath

    Indian Academy of Sciences (India)

    S Shivakumara; U Manohar; Y Arthoba Naik; T V Venkatesha

    2007-10-01

    The influence of a condensation product (CP) of veratraldehyde (VRTD) and -amino benzoic acid (PABA) on Zn–Ni alloy electrodeposited onto mild steel was studied in acidic sulphate solutions. Ethylenediaminetetraaceticacid (EDTA) and cetyltrimethylammoniumbromide (CTAB) were used as complexing and wetting agents, respectively. The effect of bath constituents, pH, current density and temperature on nature of deposit were studied through Hull cell experiments. The bath constituents and operating parameters were optimized. Deposit properties and corrosion resistance were discussed. Throwing power, current efficiency and polarization studies were carried out. SEM photomicrographs of the deposit obtained from optimum bath revealed fine-grained deposit of the alloy in the presence of condensation product and hence modified the morphology of zinc–nickel alloy deposit. IR spectrum of the scrapped deposit showed inclusion of addition agent.

  20. Synthesis and role of salicylic acid in wheat varieties with different levels of cadmium tolerance

    International Nuclear Information System (INIS)

    Highlights: • Cd induces the salicylic acid metabolism in wheat. • Salicylic acid is synthesized via benzoic acid and/or ortho-hydroxy-cinnamic acid. • Cd tolerance can be explained by the highly induced glutathione metabolism. • Salicylic acid signalling is correlated with glutathione-related mechanisms. - Abstract: Wheat genotypes with different endogenous SA contents were investigated, in order to reveal how cadmium influences salicylic acid (SA) synthesis, and to find possible relationships between SA and certain protective compounds (members of the antioxidants and the heavy metal detoxification system) and between the SA content and the level of cadmium tolerance. Cadmium exposure induced SA synthesis, especially in the leaves, and it is suggested that the phenyl-propanoid synthesis pathway is responsible for the accumulation of SA observed after cadmium stress. Cadmium influenced the synthesis and activation of protective compounds to varying extents in wheat genotypes with different levels of tolerance; the roots and leaves also responded differently to cadmium stress. Although a direct relationship was not found between the initial SA levels and the degree of cadmium tolerance, the results suggest that the increase in the root SA level during cadmium stress in the Mv varieties could be related with the enhancement of the internal glutathione cycle, thus inducing the antioxidant and metal detoxification systems, which promote Cd stress tolerance in wheat seedlings. The positive correlation between certain SA-related compounds and protective compounds suggests that SA-related signalling may also play a role in the acclimation to heavy metal stress

  1. Synthesis and role of salicylic acid in wheat varieties with different levels of cadmium tolerance

    Energy Technology Data Exchange (ETDEWEB)

    Kovács, Viktória; Gondor, Orsolya K.; Szalai, Gabriella; Darkó, Éva; Majláth, Imre; Janda, Tibor; Pál, Magda, E-mail: pal.magda@agrar.mta.hu

    2014-09-15

    Highlights: • Cd induces the salicylic acid metabolism in wheat. • Salicylic acid is synthesized via benzoic acid and/or ortho-hydroxy-cinnamic acid. • Cd tolerance can be explained by the highly induced glutathione metabolism. • Salicylic acid signalling is correlated with glutathione-related mechanisms. - Abstract: Wheat genotypes with different endogenous SA contents were investigated, in order to reveal how cadmium influences salicylic acid (SA) synthesis, and to find possible relationships between SA and certain protective compounds (members of the antioxidants and the heavy metal detoxification system) and between the SA content and the level of cadmium tolerance. Cadmium exposure induced SA synthesis, especially in the leaves, and it is suggested that the phenyl-propanoid synthesis pathway is responsible for the accumulation of SA observed after cadmium stress. Cadmium influenced the synthesis and activation of protective compounds to varying extents in wheat genotypes with different levels of tolerance; the roots and leaves also responded differently to cadmium stress. Although a direct relationship was not found between the initial SA levels and the degree of cadmium tolerance, the results suggest that the increase in the root SA level during cadmium stress in the Mv varieties could be related with the enhancement of the internal glutathione cycle, thus inducing the antioxidant and metal detoxification systems, which promote Cd stress tolerance in wheat seedlings. The positive correlation between certain SA-related compounds and protective compounds suggests that SA-related signalling may also play a role in the acclimation to heavy metal stress.

  2. Ruminal Methane Production on Simple Phenolic Acids Addition in in Vitro Gas Production Method

    Directory of Open Access Journals (Sweden)

    A. Jayanegara

    2009-04-01

    Full Text Available Methane production from ruminants contributes to total global methane production, which is an important contributor to global warming. In this experiment, six sources of simple phenolic acids (benzoic, cinnamic, phenylacetic, caffeic, p-coumaric and ferulic acids at two different levels (2 and 5 mM added to hay diet were evaluated for their potential to reduce enteric methane production using in vitro Hohenheim gas production method. The measured variables were gas production, methane, organic matter digestibility (OMD, and short chain fatty acids (SCFA. The results showed that addition of cinnamic, caffeic, p-coumaric and ferulic acids at 5 mM significantly (P p-coumaric > ferulic > cinnamic. The addition of simple phenols did not significantly decrease OMD. Addition of simple phenols tends to decrease total SCFA production. It was concluded that methane decrease by addition of phenolic acids was relatively small, and the effect of phenolic acids on methane decrease depended on the source and concentration applied.

  3. Folic Acid

    Science.gov (United States)

    ... found naturally in some foods, including leafy vegetables, citrus fruits, beans (legumes), and whole grains. Folic acid ... mcg of folic acid every day for good health. But older adults need to be sure they ...

  4. Copper(II) interactions with nonsteroidal antiinflammatory agents. I. Salicylic acid and acetylsalicylic acid.

    Science.gov (United States)

    Brumas, V; Brumas, B; Berthon, G

    1995-02-15

    Recently a growing body of evidence has accumulated on the beneficial effects of copper compounds toward various models of inflammation, and copper complexes of nonsteroidal antiinflammatory drugs (NSAIDs) have been shown to be more effective in this respect than the parent agents. However, the origin of this activity remains unclear: The ability of NSAIDs to influence copper metabolism is still questionable, and apart from the claimed SOD-like activity of copper salts in vivo, relatively little is known about how copper-NSAID interactions may help regulate the inflammatory process. Before the potential role of copper-NSAID complexes versus inflammation can be elucidated, speciation studies are necessary (i) to analyze the overall influence of these drugs on copper metabolism and (ii) to discriminate the individual complexes likely to represent the active form of the drug in vivo. In this paper, copper(II) complex equilibria with salicylic and acetylsalicylic acids--and benzoic acid used as a reference--as well as the mixed-ligand complex equilibria generated by these binary systems and L-histidine [main low-molar-mass ligand of copper(II) in blood plasma] have been investigated under physiological conditions (37 degrees C; 0.15-M NaCl). Confirming previous observations by others, resulting simulated plasma copper distributions virtually rule out any quantitative influence of salicylate on copper tissue diffusion at therapeutic levels. Even though, as is presently shown, both salicylate and acetylsalicylate may favor the gastrointestinal absorption of copper, it seems unlikely that salicylate can exert its antinflammatory activity predominantly through copper complexation. The assertion that copper-NSAID complexes represent the active forms of NSAIDs therefore seems to be of limited significance for salicylate. PMID:7876837

  5. MCM-41 supported 12-tungstophosphoric acid mesoporous materials: Preparation, characterization, and catalytic activities for benzaldehyde oxidation with H2O2

    Science.gov (United States)

    Chen, Ya; Zhang, Xiao-Li; Chen, Xi; Dong, Bei-Bei; Zheng, Xiu-Cheng

    2013-10-01

    Mesoporous molecular sieves MCM-41 and bulk 12-tungstophosphoric acid (HPW) were synthesized and employed to prepare 5-45 wt.% HPW/MCM-41 mesoporous materials. Characterization results suggested the good dispersion of HPW within MCM-41 when the loading of HPW was less than 35 wt.% and HPW/MCM-41 retained the typical mesopore structure of the supports. The results of the catalytic oxidation of benzaldehyde to benzoic acid with 30% H2O2, in the absence of any organic solvent and co-catalysts, indicated that HPW/MCM-41 was an efficient catalyst and 30 wt.% HPW/MCM-41 sample exhibited the highest catalytic activity among these materials.

  6. Solvent-free oxidation of aldehydes to acids by TBHP using environmental-friendly MnO$^{−1}_{4}$-exchanged Mg-Al hydrotalcite catalyst

    Indian Academy of Sciences (India)

    Vasant R Choudhary; Deepa K Dumbre; Vijay S Narkhede

    2012-07-01

    A number of hydrotalcite (Mg-Al, Mn-Al, Co-Al, Ni-Al, Mg-Fe, Mg-Cr and Cu-Al) catalysts, with or without MnO$^{−1}_{4}$-exchange, were evaluated for their performance in the solvent-free oxidation of benzaldehyde to benzoic acid by tert-butyl hydroperoxide under reflux in the absence of any solvent. The MnO$^{−1}_{4}$-exchanged Mg-Al-hydrotalcite (Mg/Al = 10) showed high activity in the oxidation of different aromatic and aliphatic aldehydes to their corresponding acids and also showed excellent reusability in the oxidation process which is environmental-friendly.

  7. Ibotenic acid and thioibotenic acid

    DEFF Research Database (Denmark)

    Hermit, Mette B; Greenwood, Jeremy R; Nielsen, Birgitte;

    2004-01-01

    In this study, we have determined and compared the pharmacological profiles of ibotenic acid and its isothiazole analogue thioibotenic acid at native rat ionotropic glutamate (iGlu) receptors and at recombinant rat metabotropic glutamate (mGlu) receptors expressed in mammalian cell lines....... Thioibotenic acid has a distinct pharmacological profile at group III mGlu receptors compared with the closely structurally related ibotenic acid; the former is a potent (low microm) agonist, whereas the latter is inactive. By comparing the conformational energy profiles of ibotenic and thioibotenic acid with...... the conformations preferred by the ligands upon docking to mGlu1 and models of the other mGlu subtypes, we propose that unlike other subtypes, group III mGlu receptor binding sites require a ligand conformation at an energy level which is prohibitively expensive for ibotenic acid, but not for...

  8. Phenolcarboxylic acids from medicinal herbs exert anticancer effects through disruption of COX-2 activity.

    Science.gov (United States)

    Tao, Li; Wang, Sheng; Zhao, Yang; Sheng, Xiaobo; Wang, Aiyun; Zheng, Shizhong; Lu, Yin

    2014-09-25

    Integrated research of herbs and formulas characterized by functions of promoting blood circulation and removing blood stasis is one of the most active fields in traditional Chinese medicine. This paper strives to demonstrate the roles of a homologous series of phenolcarboxylic acids from these medicinal herbs in cancer treatment via targeting cyclooxygenase-2 (COX-2), a well-recognized mediator in tumorigenesis. We selected thirteen typical phenolcarboxylic acids (benzoic acid derivatives, cinnamic acid derivatives and their dehydration-condensation products), and found gallic acid, caffeic acid, danshensu, rosmarinic acid and salvianolic acid B showed 50% inhibitory effects on hCOX-2 activity and A549 cells proliferation. 2D-quantitative method was introduced to describe the potential structural features that contributed to certain bioactivities. We also found these compounds underwent responsible hydrogen bonding to Arg120 and Ser353 in COX-2 active site residues. We further extensively focused on danshensu [d-(+)-β-(3,4-dihydoxy-phenylalanine)] or DSS, which exerted COX-2 dependent anticancer manner. Both genetic and pharmacological inhibition of COX-2 could enhance the ability of DSS inhibiting A549 cells growth. Additionally, COX-2/PGE2/ERK signaling axis was essential for the anticancer effect of DSS. Furthermore, combined treatment with DSS and celecoxib could produce stronger anticancer effects in experimental lung metastasis of A549 cells in vivo. All these findings indicated that phenolcarboxylic acids might possess anticancer effects through jointly targeting COX-2 activity in cancer cells and provided strong evidence in cancer prevention and therapy for the herbs characterized by blood-activating and stasis-resolving functions in clinic. PMID:24916702

  9. [Gastric Acid].

    Science.gov (United States)

    Ruíz Chávez, R

    1996-01-01

    Gastric acid, a product of parietal cells secretion, full fills multiple biological roles which are absolutely necessary to keep corporal homeostasis. The production of the acid depends upon an effector cellular process represented in the first step by histamine, acetilcholine and gastrin, first messengers of the process. These interact with specific receptors than in sequence activate second messengers -cAMP and the calcium-calmodulin system- which afterwards activate a kinase. An specific protein is then phosphorilated by this enzyme, being the crucial factor that starts the production of acid. Finally, a proton bomb, extrudes the acid towards the gastric lumen. The secretion process mentioned above, is progressive lyactivated in three steps, two of which are stimulators -cephalic and gastric phases- and the other one inhibitor or intestinal phase. These stages are started by mental and neurological phenomena -thought, sight, smell or memory-; by food, drugs or other ingested substances; and by products of digestion. Changes in regulation of acid secretion, in the structure of gastro-duodenal mucosal barrier by a wide spectrum of factors and agents including food, drugs and H. pylori, are the basis of acid-peptic disease, entity in which gastric acid plays a fundamental role. From the therapeutic point of view, so at the theoretical as at the practical levels, t is possible to interfere with the secretion of acid by neutralization of some of the steps of the effector cellular process. An adequate knowledge of the basics related to gastric acid, allows to create strategies for the clinical handling of associated pathology, specifically in relation to peptic acid disease in all of the known clinical forms. PMID:12165790

  10. Effect of Cooking on Isoflavones, Phenolic Acids, and Antioxidant Activity in Sprouts of Prosoy Soybean (Glycine max).

    Science.gov (United States)

    Kumari, Shweta; Chang, Sam K C

    2016-07-01

    Soy sprouts possess health benefits and is required to be cooked before consumption. The effects of cooking on the phenolic components and antioxidant properties of soy sprouts with different germination days were investigated. A food-grade cultivar Prosoy with a high protein content was germinated for 1, 2, 3, 5, and 7 d and cooked till palatable for 20, 20, 5, 5, and 7 min, respectively. Total phenolic content (TPC), total flavonoids content (TFC), condensed tannins content (CTC), individual phenolic acids, isoflavones, DPPH, ferric-reducing antioxidant power (FRAP), and oxygen radical absorbance capacity (ORAC) of raw and cooked sprouts were measured. Cooking caused significant losses in phenolic content and antioxidant activities, and maximum loss was on day 3 > 5 > 7, including TPC (32%, 23%, and 15%), TFC (50%, 44%, and 20%), CTC (73%, 47%, and 12%), DPPH (31%, 15%, and 5%), FRAP (34%, 25%, and 1%), and ORAC (34%, 22%, 32%), respectively. Cooking caused significant losses in most individual phenolic acid, benzoic group, cinnamic group, total phenolic composition, individual isoflavones, and total isoflavones. The losses of phenolic acids such as gallic, protocatechuic, hydroxybenzoic, syringic, chlorogenic, or sinapic acids during cooking were not compensated by the increases in trihydroxybenzoic, vanillic or coumaric acids on certain days of germination. Cooking caused minimal changes in phenolic acid composition of day 1 and 2 sprouts compared to 3, 5, and 7 d sprouts. PMID:27258930

  11. Preparation of a graphene oxide/silica composite modified with nitro-substituted tris(indolyl)methane as a solid-phase extraction sorbent for the extraction of organic acids.

    Science.gov (United States)

    Wang, Na; Yu, Hui; Shao, Shijun

    2016-05-01

    This paper describes the use of graphene oxide/silica modified with nitro-substituted tris(indolyl)methane as a solid-phase extraction sorbent for the determination of organic acids. The resultant graphene oxide/silica modified with nitro-substituted tris(indolyl)methane was characterized by FTIR spectroscopy and adsorption experiments. Solid-phase extraction parameters such as sorbent type, sample solution pH, sample loading rate, eluent salt concentration, eluent methanol concentration, elution rate, sample loading, and elution volume were optimized. The method showed good precision, accuracy, sensitivity, and linear response for organic acids analysis over a concentration range of 1-100 μg/L for benzoic acid, p-methoxybenzoic acid, and salicylic acid and 5-100 μg/L for the remaining organic acids (cinnamic acid, p-chlorobenzoic acid, and p-bromobenzoic acid) with coefficients of determination (r(2) ) of higher than 0.9957. Limits of detection from 0.50 to 1.0 μg/L for six organic acids were achieved. The developed method was successfully applied to determine organic acids in real samples. PMID:26969351

  12. Extended metal-organic solids based on benzenepolycarboxylic and aminobenzoic acids

    Indian Academy of Sciences (India)

    R Murugavel; G Anantharaman; D Krishnamurthy; M Sathiyendiran; M G Walawalkar

    2000-06-01

    This article describes the recent results obtained in our laboratory on the interaction of polyfunctional ligands with divalent alkaline earth metal ions and a few divalent transition metal ions. Treatment of MCl2$\\cdot$ H2O (M = Mg, Ca, Sr or Ba) with 2-amino benzoic acid leads to the formation of complexes [Mg(2-aba)2] (1), [Ca(2-aba)2(OH2)3]∞ (2), [{Sr(2-aba)2(OH2)2}2$\\cdot$H2O)]∞ (3), [Ba(2-aba)2(OH2)]∞ (4), respectively. While the calcium ions in 2 are hepta-coordinated, the strontium and barium ions in 3 and 4 reveal a coordination number of nine apart from additional metal-metal interactions. Apart from the carboxylate functionality, the amino group also binds to the metal centres in the case of strontium and barium complexes 3 and 4. Complexes [{Mg(H2O)6}(4-aba)2$\\cdot$2H2O] (5), [Ca(4-aba)2(H2O)2] (6) prepared from 4-aminobenzoic acid reveal more open or layered structures. Interaction of 2-mercaptobenzoic acid with MCl2$\\cdot$6H2O (M = Mg, Ca), however, leads to the.oxidation of the thiol group resulting in the disulphide 2,2'-dithiobis(benzoic acid). New metal-organic framework based hydrogen-bonded porous solids [{M(btec)(OH2)4} $\\cdot$ (C4H12N2) 4H2O] (btec = 1,2,4,5-benzene tetracarboxylate) (M = Co 9; Ni 10; Zn 11) have been synthesized from 1,2,4,5-benzene tetracarboxylic acid in the presence of piperazine. These compounds are made up of extensively hydrogenbonded alternating layers of anionic M-btec co-ordination polymer and piperazinium cations. Compounds 2-11 described herein form polymeric networks in the solid-state with the aid of different coordinating capabilities of the carboxylate anions hydrogen bonding interactions.

  13. Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30

    OpenAIRE

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

    2012-01-01

    The Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids of the European Food Safety Authority was requested to evaluate 45 flavouring substances in the Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4), using the Procedure in Commission Regulation (EC) No 1565/2000. This revision 4 is made due to inclusion of four additional substances, o-, m- and p-tolualdehyde [FL no: 05.026, 05.028 and 05.029] and phenylmethyl 2-methyl-2-butenoate [FL no: 09.858]. None of the su...

  14. Nitric-phosphoric acid oxidation of solid and liquid organic materials

    International Nuclear Information System (INIS)

    Nitric-phosphoric acid oxidation has been developed specifically to address issues that face the Savannah River Site, other defense-related facilities, private industry, and small-volume generators such as university and medical laboratories. Initially tested to destroy and decontaminate SRS solid, Pu-contaminated job-control waste, the technology has also exhibited potential for remediating hazardous and mixed-hazardous waste forms. The process is unique to Savannah River and offers a valuable alternative to other oxidation processes that require extreme temperatures and/or elevated pressures. To address the broad categories of waste, many different organic compounds which represent a cross-section of the waste that must be treated have been successfully oxidized. Materials that have been quantitatively oxidized at atmospheric pressure below 180 degrees C include neoprene, cellulose, EDTA, tributylphosphate, and nitromethane. More stable compounds such as benzoic acid, polyethylene, oils, and resins have been completely decomposed below 200 degrees C and 10 psig. The process uses dilute nitric acid in a concentrated phosphoric acid media as the main oxidant for the organic compounds. Phosphoric acid allow nitric acid to be retained in solution well above its normal boiling point. The reaction forms NOx vapors which can be reoxidized and recycled using air and water. The addition of 0.001M Pd(II) reduces CO generation to near 1% of the released carbon gases. The advantages of this process are that it is straightforward, uses relatively inexpensive reagents, operates at relatively low temperature and pressure, and produces final solutions which are compatible with stainless steel equipment. For organic wastes, all carbon, hydrogen, and nitrogen are converted to gaseous products. If interfaced with an acid recovery system which converts NOx back to nitric acid, the net oxidizer would be oxygen from air

  15. Folic acid

    Science.gov (United States)

    ... include leafy vegetables (such as spinach, broccoli, and lettuce), okra, asparagus, fruits (such as bananas, melons, and ... Pyrimethamine (Daraprim)Pyrimethamine (Daraprim) is used to treat parasite infections. Folic acid might decrease the effectiveness of ...

  16. Folic Acid

    Medline Plus

    Full Text Available ... March of Dimes Premature Birth Report Card Grades Cities, Counties; Focuses on Racial and Ethnic Disparities March ... your baby. Learn how you can get the right amout of folic acid before and during pregnancy ...

  17. ACID RAIN

    Science.gov (United States)

    Acid precipitation has become one of the major environmental problems of this decade. It is a challenge to scientists throughout the world. Researchers from such diverse disciplines as plant pathology, soil science, bacteriology, meteorology and engineering are investigating diff...

  18. Folic Acid

    Medline Plus

    Full Text Available ... Just a moment, please. You've saved this page It's been added to your dashboard . Folic acid ... Map Premature birth report card Careers Archives Health Topics Pregnancy Before or between pregnancies Nutrition, weight & fitness ...

  19. Folic Acid

    Medline Plus

    Full Text Available ... Folic acid Description | Related videos | Most played video E-mail to a friend Please fill in all fields. Please enter a valid e-mail address. Your information: Your recipient's information: Your ...

  20. STUDY OF ORGANIC ACIDS IN ALMOND LEAVES

    Directory of Open Access Journals (Sweden)

    Lenchyk L.V.

    2015-05-01

    esters of fatty acids 0.2 ml dichloromethane was filled up, gently shaken several times within an hour and then obtained methyl esters extract was chromatographed. Injection of sample (2 μl in a chromatographic column was carried out splitless, which allowed introducing the sample without flow division and significantly (10-20 time increased sensitivity to chromatography analysis. Content of organic acids were determined on Agilent Technologies 6890 chromatograph with mass spectrometric detector 5973; chromatography column - INNOWAX, capillary diam. 0.25 mm and a length of 30m; the rate of carrier gas (helium: 1.2 ml/min; heater temperature - 250°C; thermostat temperature was programmed from 50 to 250 °C with a speed of 4 °C / min. For components identification, library of mass spectra NIST05 and WILEY 2007 with a total number of spectra more than 470,000 in conjunction with AMDIS and NIST programs were used. The statistical processing of results was carried out using package Statistica 6.0. The error does not exceed 5%. Results and discussion. 32 organic acids were established in almond leaves and their quantitative values were determined, using internal standard method. Overall, plant raw material contained 1.80% of the organic acids, including (% – 0.75 fatty; 0.95 di- and three carboxylic; 0.10 phenol carboxylic acids. Among the carboxylic acids, oxalic and malic acid were the largest with- 3616.41 (38.23% and 3343.03 (35.34% mg / kg, respectively. Palmitic and linoleic acids dominated among the fatty acids, their content was determined as (mg/kg 2343.49 and 1963.60 that were 30.98 % and 25.96% respectively of the total fatty acids. Among phenol carboxylic acids, the largest content was defined for benzoic acid. It was 488.43 mg / kg or 50.16% of the total amount of phenol carboxylic acids. Conclusion. Almond leaves were investigated by gas chromatography. 32 organic acids were established and their quantitative value were determined. It was found that almond

  1. Effect of Maturity on Phenolics (Phenolic Acids and Flavonoids Profile of Strawberry Cultivars and Mulberry Species from Pakistan

    Directory of Open Access Journals (Sweden)

    Tahir Mahmood

    2012-04-01

    Full Text Available In this study, we investigated how the extent of ripeness affects the yield of extract, total phenolics, total flavonoids, individual flavonols and phenolic acids in strawberry and mulberry cultivars from Pakistan. In strawberry, the yield of extract (%, total phenolics (TPC and total flavonoids (TFC ranged from 8.5–53.3%, 491–1884 mg gallic acid equivalents (GAE/100 g DW and 83–327 mg catechin equivalents (CE/100 g DW, respectively. For the different species of mulberry the yield of extract (%, total phenolics and total flavonoids of 6.9–54.0%, 201–2287 mg GAE/100 g DW and 110–1021 mg CE/100 g DW, respectively, varied significantly as fruit maturity progressed. The amounts of individual flavonols and phenolic acid in selected berry fruits were analyzed by RP-HPLC. Among the flavonols, the content of myricetin was found to be high in Morus alba (88 mg/100 g DW, the amount of quercetin as high in Morus laevigata (145 mg/100 g DW while kaempferol was highest in the Korona strawberry (98 mg/100 g DW at fully ripened stage. Of the six phenolic acids detected, p-hydroxybenzoic and p-coumaric acid were the major compounds in the strawberry. M. laevigata and M. nigra contained p-coumaric acid and vanillic acid while M. macroura and M. alba contained p-hydroxy-benzoic acid and chlorogenic acid as the major phenolic acids. Overall, a trend to an increase in the percentage of extraction yield, TPC, TFC, flavonols and phenolic acids was observed as maturity progressed from un-ripened to fully-ripened stages.

  2. Metabolic fate of N-benzoyl-N'-phenyl-2,6-diaminobenzoic acid in rats and guinea pigs

    International Nuclear Information System (INIS)

    The metabolism of N-benzoyl-N'-phenyl-2, 6-diaminobenzoic acid (F-1) was studied by a radiotracer technique. When 14C-F-1 was administered to rats and guinea pigs, benzoic acid, p-hydroxybenzoic acid, and glycine conjugates of these compounds were found in the urine as its metabolites. In the case of 3H-F-1 administration, it was possible to detect N-acetyl-N'-phenyl-2, 6-diaminobenzoic acid in the urine as a major metabolite. Rats and guinea pigs excreted in the feces a majority of radioactivity as unchanged F-1. The uptake of 3H-activity into the CMC pouch was considerably higher 12 hours after the oral administration of 3H-F-1 to inflamed rats. A large amount of unchanged F-1 rather than N-acetyl-N'-phenyl-2, 6-diaminobenzoic acid (metabolite 1) was found in the CMC pouch. On the other hand, in the liver the amount of metabolite 1 was larger than the unchanged parent compound F-1. These facts were taken into account in an attempt to determine the mode of action of the anti-inflammatory effect of F-1. (auth.)

  3. Application of dissolvable layered double hydroxides as sorbent in dispersive solid-phase extraction and extraction by co-precipitation for the determination of aromatic acid anions.

    Science.gov (United States)

    Tang, Sheng; Lee, Hian Kee

    2013-08-01

    Three types of magnesium-aluminum layered double hydroxides were synthesized and employed as solid-phase extraction (SPE) sorbents to extract several aromatic acids (protocatechuic acid, mandelic acid, phthalic acid, benzoic acid, and salicylic acid) from aqueous samples. An interesting feature of these sorbents is that they dissolve when the pH of the solution is lower than 4. Thus, the analyte elution step, as needed in conventional sorbent-based extraction, was obviated by dissolving the sorbent in acid after extraction and separation from the sample solution. The extract was then directly injected into a high-performance liquid chromatography-ultraviolet detection system for analysis. In the key adsorption process, both dispersive SPE and co-precipitation extraction with the sorbents were conducted and experimental parameters such as pH, temperature, and extraction time were optimized. The results showed that both extraction methods provided low limits of detection (0.03-1.47 μg/L) and good linearity (r(2) > 0.9903). The optimized extraction conditions were applied to human urine and sports drink samples. This new and interesting extraction approach was demonstrated to be a fast and efficient procedure for the extraction of organic anions from aqueous samples. PMID:23855757

  4. Proton dynamics in the hydrogen bonds of 4-amino-3,5-dihalogenobenzoic acid

    International Nuclear Information System (INIS)

    Highlights: • 4-Amino-3,5-dichlorobenzoic acid has a symmetric dimer structure. • The compound undergoes a phase transition at 138 K. • The symmetry breaking of the dimer was revealed by 35Cl NQR. • The proton dynamics was analyzed by coherent and incoherent tunneling models. - Abstract: On the polycrystalline sample of 4-amino-3,5-dihalogenobenzoic acid, 4-NH2-3,5-X2C6H2COOH, which has a symmetric dimer structure in the crystal, the proton tunneling in the hydrogen bonds has been investigated by NQR and NMR spin–lattice relaxation times T1 measurements. Two 35Cl NQR lines of the X = Cl derivative show the existence of two crystallographically inequivalent chlorine atoms in the high-temperature phase, in consistency with the reported crystal structure. Below 138 K, each splits into a doublet indicating the symmetry breaking of the benzoic acid dimer. The proton dynamics was analyzed by a coherent and incoherent tunneling models, for the high- and low-temperature phases, respectively. The temperature dependence of the correlation time of proton translation was estimated. As for the X = I derivative, the proton dynamics was discussed similarly by 1H NMR T1 data by assuming occurrence of a phase transition at low-temperature

  5. Proton dynamics in the hydrogen bonds of 4-amino-3,5-dihalogenobenzoic acid

    Energy Technology Data Exchange (ETDEWEB)

    Asaji, Tetsuo, E-mail: asaji@chs.nihon-u.ac.jp [Department of Chemistry, College of Humanities and Sciences, Nihon University, 3-25-40 Sakurajosui, Setagaya-ku, Tokyo 156-8550 (Japan); Ueda, Kouhei; Oguni, Masaharu [Department of Chemistry, Graduate School of Science and Engineering, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro-ku, Tokyo 152-8551 (Japan)

    2015-08-18

    Highlights: • 4-Amino-3,5-dichlorobenzoic acid has a symmetric dimer structure. • The compound undergoes a phase transition at 138 K. • The symmetry breaking of the dimer was revealed by {sup 35}Cl NQR. • The proton dynamics was analyzed by coherent and incoherent tunneling models. - Abstract: On the polycrystalline sample of 4-amino-3,5-dihalogenobenzoic acid, 4-NH{sub 2}-3,5-X{sub 2}C{sub 6}H{sub 2}COOH, which has a symmetric dimer structure in the crystal, the proton tunneling in the hydrogen bonds has been investigated by NQR and NMR spin–lattice relaxation times T{sub 1} measurements. Two {sup 35}Cl NQR lines of the X = Cl derivative show the existence of two crystallographically inequivalent chlorine atoms in the high-temperature phase, in consistency with the reported crystal structure. Below 138 K, each splits into a doublet indicating the symmetry breaking of the benzoic acid dimer. The proton dynamics was analyzed by a coherent and incoherent tunneling models, for the high- and low-temperature phases, respectively. The temperature dependence of the correlation time of proton translation was estimated. As for the X = I derivative, the proton dynamics was discussed similarly by {sup 1}H NMR T{sub 1} data by assuming occurrence of a phase transition at low-temperature.

  6. Okadaic acid

    DEFF Research Database (Denmark)

    Danielsen, E Michael; Hansen, Gert H; Severinsen, Mai C K

    2014-01-01

    Okadaic acid (OA) is a polyether fatty acid produced by marine dinoflagellates and the causative agent of diarrhetic shellfish poisoning. The effect of OA on apical endocytosis in the small intestine was studied in organ cultured porcine mucosal explants. Within 0.5-1 h of culture, the toxin caused...... endosomes (TWEEs) occurred unimpeded in the presence of OA, FM condensed in larger subapical structures by 1 h, implying a perturbed endosomal trafficking/maturation. The fluorescent lysosomotropic agent Lysotracker revealed induction of large lysosomal structures by OA. Endocytosis from the brush border...

  7. The Characterisitic of Proton-Exchanged LiNbO_3 Waveguide Formed by Different Proton Source

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Benzoic acid as a source of proton is widely used in the technology of manufacture of proton exchanged ( PE) waveguide .But the diffusing speed of proton is too fast to make the waveguide stable in the pure benzoic acid. The characteristic of waveguide is improved with mixture of benzoic acid and lithium benzoate .

  8. Perfluorooctanoic acid

    NARCIS (Netherlands)

    P. de Voogt

    2014-01-01

    Perfluorooctanoic acid (PFOA, 335-67-1) is used in fluoropolymer production and firefighting foams and persists in the environment. Human exposure to PFOA is mostly through the diet. PFOA primarily affects the liver and can cause developmental and reproductive toxic effects in test animals.

  9. Ascorbic Acid

    Science.gov (United States)

    Cevi-Bid® ... If you become pregnant while taking ascorbic acid, call your doctor. ... In case of overdose, call your local poison control center at 1-800-222-1222. If the victim has collapsed or is not breathing, call ...

  10. Stearic Acid

    Science.gov (United States)

    Young, Jay A.

    2004-01-01

    A chemical laboratory information profile (CLIP) is presented for the chemical, stearic acid. The profile lists the chemical's physical and harmful characteristics, exposure limits, and symptoms of major exposure, for the benefit of teachers and students, who use the chemical in the laboratory.

  11. Mefenamic Acid

    Science.gov (United States)

    Mefenamic acid comes as a capsule to take by mouth. It is usually taken with food every 6 hours as needed for up to 1 week. Follow ... pain vomit that is bloody or looks like coffee grounds black, tarry, or bloody stools slowed breathing ...

  12. Structure-Activity Relationships of Antimicrobial Gallic Acid Derivatives from Pomegranate and Acacia Fruit Extracts against Potato Bacterial Wilt Pathogen.

    Science.gov (United States)

    Farag, Mohamed A; Al-Mahdy, Dalia A; Salah El Dine, Riham; Fahmy, Sherifa; Yassin, Aymen; Porzel, Andrea; Brandt, Wolfgang

    2015-06-01

    Bacterial wilts of potato, tomato, pepper, and or eggplant caused by Ralstonia solanacearum are among the most serious plant diseases worldwide. In this study, the issue of developing bactericidal agents from natural sources against R. solanacearum derived from plant extracts was addressed. Extracts prepared from 25 plant species with antiseptic relevance in Egyptian folk medicine were screened for their antimicrobial properties against the potato pathogen R. solancearum by using the disc-zone inhibition assay and microtitre plate dilution method. Plants exhibiting notable antimicrobial activities against the tested pathogen include extracts from Acacia arabica and Punica granatum. Bioactivity-guided fractionation of A. arabica and P. granatum resulted in the isolation of bioactive compounds 3,5-dihydroxy-4-methoxybenzoic acid and gallic acid, in addition to epicatechin. All isolates displayed significant antimicrobial activities against R. solanacearum (MIC values 0.5-9 mg/ml), with 3,5-dihydroxy-4-methoxybenzoic acid being the most effective one with a MIC value of 0.47 mg/ml. We further performed a structure-activity relationship (SAR) study for the inhibition of R. solanacearum growth by ten natural, structurally related benzoic acids. PMID:26080741

  13. Solid-phase synthesis of amidine-substituted phenylbenzimidazoles and incorporation of this DNA binding and recognition motif into amino acid and peptide conjugates.

    Science.gov (United States)

    Garner, Matthew L; Georgiadis, Taxiarchis M; Li, Jessica Bo; Wang, Tianxiu; Long, Eric C

    2014-05-01

    Amidine-substituted phenylbenzimidazoles are well-established DNA-binding structural motifs that have contributed to the development of diverse classes of DNA-targeted agents; this ring system not only assists in increasing the overall DNA affinity of an agent, but can also influence its site selectivity. Seeking a means to conveniently exploit these attributes, a protocol for the on-resin synthesis of amino acid- and peptide-phenylbenzimidazole-amidine conjugates was developed to facilitate installation of phenylbenzimidazole-amidines into peptide chains during the course of standard solid-phase syntheses. Building from a resin-bound amino acid or peptide on Rink amide resin, 4-formyl benzoic acid was coupled to the resin-bound free amine followed by introduction of 3,4-diamino-N'-hydroxybenzimidamide (in the presence of 1,4-benzoquinone) to construct the benzimidazole heterocycle. Finally, the resin-bound N'-hydroxybenzimidamide functionality was reduced to an amidine via 1 M SnCl2·2H2O in DMF prior to resin cleavage to release final product. This procedure permits the straightforward synthesis of amino acids or peptides that are N-terminally capped by a phenylbenzimidazole-amidine ring system. Employing this protocol, a series of amino acid-phenylbenzimidazole-amidine (Xaa-R) conjugates was synthesized as well as dipeptide conjugates of the general form Xaa-Gly-R (where R is the phenylbenzimidazole-amidine and Xaa is any amino acid). PMID:24562478

  14. Assessment of phenolic acid content and in vitro antiradical characteristics of hawthorn.

    Science.gov (United States)

    Öztürk, Nilgün; Tunçel, Muzaffer

    2011-06-01

    The infusions and extracts obtained from leaves with flowers, fruit peel, and seed from hawthorn (Crataegus monogyna Jacq., Family Rosaceae) were subjected to evaluation as potential sources of antioxidant phytochemicals on the basis of their total content of phenolics, levels of phenolic acids, and in vitro antiradical activity. Total phenolic content of extracts was determined using the modified Folin-Ciocalteau method. Antioxidant activity was determined for phenolic extracts by a method involving the use of the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH). Phenolic acids containing extracts and infusions from hawthorn leaves, fruit peel, and seeds were obtained using different polarity solvents and separated by reverse-phase high-performance liquid chromatography, which enabled improved separation by the use of a C(18) column, an acidic mobile phase, and gradient elusion. The highest total phenolic content (343.54 mg of gallic acid equivalents/g) and the highest DPPH radical scavenging activity as the inhibition percentage (60.36%) were obtained in ethyl acetate extract from hawthorn leaves with flower. Also, the highest phenolic acid content was measured in the extracts of hawthorn leaves with flowers: protocathechuic (108-128 mg/100 g), p-hydroxy benzoic (141-468 mg/100 g), caffeic (137-3,580 mg/100 g), chlorogenic (925-4,637 mg/100 g), ferulic (3,363-3,462 mg/100 g), vanillic (214 mg/100 g), and syringic (126 mg/100 g) acids. The results indicate that hawthorn is a promising plant because of its high antioxidant activity. PMID:21554133

  15. Experimental and quantum chemical characterization of the adsorption of some Schiff base compounds of phthaloyl thiocarbohydrazide on the mild steel in acid solutions

    International Nuclear Information System (INIS)

    Three derivatives of 2-[2-(hydrazinecarbonothioyl)hydrazinecarbonyl]benzoic acid (IL1) have been evaluated as new corrosion inhibitors for the corrosion of mild steel in 1 M HCl solutions using weight loss, polarization and electrochemical impedance spectroscopy (EIS) techniques. The adsorption of these compounds has been tested thermodynamically which was found to be of neither a typical physisorption nor a typical chemisorption mode. The thermodynamic functions (such as Ea, ΔHoads, ΔSoads and ΔGoads) of dissolution and adsorption processes have been evaluated. The polarization measurements indicated that the inhibitors are of mixed type. The adsorption of the compounds was found to obey Langmuir's adsorption isotherm. In addition, quantum chemical calculations have been made to correlate inhibition efficiencies determined experimentally.

  16. Degradation of 3-phenoxybenzoic acid by a Bacillus sp.

    Directory of Open Access Journals (Sweden)

    Shaohua Chen

    Full Text Available 3-Phenoxybenzoic acid (3-PBA is of great environmental concern with regards to endocrine disrupting activity and widespread occurrence in water and soil, yet little is known about microbial degradation in contaminated regions. We report here that a new bacterial strain isolated from soil, designated DG-02, was shown to degrade 95.6% of 50 mg·L(-1 3-PBA within 72 h in mineral salt medium (MSM. Strain DG-02 was identified as Bacillus sp. based on the morphology, physio-biochemical tests and 16S rRNA sequence. The optimum conditions for 3-PBA degradation were determined to be 30.9°C and pH 7.7 using response surface methodology (RSM. The isolate converted 3-PBA to produce 3-(2-methoxyphenoxy benzoic acid, protocatechuate, phenol, and 3,4-dihydroxy phenol, and subsequently transformed these compounds with a q(max, K(s and K(i of 0.8615 h(-1, 626.7842 mg·L(-1 and 6.7586 mg·L(-1, respectively. A novel microbial metabolic pathway for 3-PBA was proposed on the basis of these metabolites. Inoculation of strain DG-02 resulted in a higher degradation rate on 3-PBA than that observed in the non-inoculated soil. Moreover, the degradation process followed the first-order kinetics, and the half-life (t(1/2 for 3-PBA was greatly reduced as compared to the non-inoculated control. This study highlights an important potential application of strain DG-02 for the in situ bioremediation of 3-PBA contaminated environments.

  17. Hydroxycarboxylic acids and salts

    Energy Technology Data Exchange (ETDEWEB)

    Kiely, Donald E; Hash, Kirk R; Kramer-Presta, Kylie; Smith, Tyler N

    2015-02-24

    Compositions which inhibit corrosion and alter the physical properties of concrete (admixtures) are prepared from salt mixtures of hydroxycarboxylic acids, carboxylic acids, and nitric acid. The salt mixtures are prepared by neutralizing acid product mixtures from the oxidation of polyols using nitric acid and oxygen as the oxidizing agents. Nitric acid is removed from the hydroxycarboxylic acids by evaporation and diffusion dialysis.

  18. Synthesis and Characterization of Tin (IV Tungstate Nanoparticles – A Solid Acid Catalyst

    Directory of Open Access Journals (Sweden)

    Manoj Sadanandan

    2012-12-01

    Full Text Available Tin (IV tungstate, a tetravalent metal acid salt was synthesized in the nanoform by chemical coprecipitation method using EDTA as capping agent. The material was found to be stable in mineral acids, bases and organic solvents except  in HF and aquaregia. The material was characterized using EDS, TG/DTA, FTIR, XRD, SEM, HRTEM and BET surface area measurement. The molecular formula of the compound is 2SnO2 3WO3.5H2O determined from elemental analysis using TG/DTA. Surface morphology and particle size were obtained using SEM and HRTEM. The surface area was found to be 205-225m2/g. The Na+ exchange capacity found to be 3.8 meq/g, indicates the presence of surface hydroxyl group and hence the presence of Bronsted acid sites. The catalytic activity of the material was tested by using esterification and oxidation as model reactions. For the esterification of different alcohols, the percentage yield was found to be high for n-alcohol compared to isomeric alcohols. Oxidation of benzyl alcohol gives benzaldehyde and benzoic acid as the only products. Copyright © 2012 by BCREC UNDIP. All rights reservedReceived: 12nd June 2012, Revised: 23rd July 2012, Accepted: 29th July 2012[How to Cite: S. Manoj, R. Beena, (2012. Synthesis and Characterization of tin(IV Tungstate Nanoparticles – A Solid Acid Catalyst. Bulletin of Chemical Reaction Engineering & Catalysis, 7 (2: 105-111. doi:10.9767/bcrec.7.2.3622.105-111] [How to Link / DOI: http://dx.doi.org/10.9767/bcrec.7.2.3622.105-111 ] | View in 

  19. Optimization of a method for determination of phenolic acids in exotic fruits by capillary electrophoresis.

    Science.gov (United States)

    Fukuji, Tatiana S; Tonin, Fernando G; Tavares, Marina F M

    2010-01-20

    In this work, the separation of nine phenolic acids (benzoic, caffeic, chlorogenic, p-coumaric, ferulic, gallic, protocatechuic, syringic, and vanillic acid) was approached by a 3(2) factorial design in electrolytes consisting of sodium tetraborate buffer (STB) in the concentration range of 10-50 mmol L(-1) and methanol in the volume percentage of 5-20%. Derringer's desirability functions combined globally were tested as response functions. An optimal electrolyte composed by 50 mmol L(-1) tetraborate buffer at pH 9.2, and 7.5% (v/v) methanol allowed baseline resolution of all phenolic acids under investigation in less than 15 min. In order to promote sample clean up, to preconcentrate the phenolic fraction and to release esterified phenolic acids from the fruit matrix, elaborate liquid-liquid extraction procedures followed by alkaline hydrolysis were performed. The proposed methodology was fully validated (linearity from 10.0 to 100 microg mL(-1), R(2)>0.999; LOD and LOQ from 1.32 to 3.80 microg mL(-1) and from 4.01 to 11.5 microg mL(-1), respectively; intra-day precision better than 2.8% CV for migration time and 5.4% CV for peak area; inter-day precision better than 4.8% CV for migration time and 4.8-11% CV for peak area; recoveries from 81% to 115%) and applied successfully to the evaluation of phenolic contents of abiu-roxo (Chrysophyllum caimito), wild mulberry growing in Brazil (Morus nigra L.) and tree tomato (Cyphomandra betacea). Values in the range of 1.50-47.3 microg g(-1) were found, with smaller amounts occurring as free phenolic acids. PMID:19545963

  20. Molecular and biochemical characterization of the jasmonic acid methyltransferase gene from black cottonwood (Populus trichocarpa)

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Nan [ORNL; Yao, Jianzhuang [University of Tennessee, Knoxville (UTK); Chaiprasongsuk, Minta [University of Tennessee, Knoxville (UTK); Li, Guanglin [University of Tennessee, Knoxville (UTK); Guan, Ju [University of Tennessee, Knoxville (UTK); Tschaplinski, Timothy J [ORNL; Guo, Hong [University of Tennessee, Knoxville (UTK); Chen, Feng [University of Tennessee, Knoxville (UTK)

    2013-01-01

    Methyl jasmonate is a metabolite known to be produced by many plants and has roles in diverse biological processes. It is biosynthesized by the action of S-adenosyl-L-methionine:jasmonic acid carboxyl methyltransferase (JMT), which belongs to the SABATH family of methyltransferases. Herein is reported the isolation and biochemical characterization of a JMT gene from black cottonwood (Populus trichocarpa). The genome of P. trichocarpa contains 28 SABATH genes (PtSABATH1 to PtSABATH28). Recombinant PtSABATH3 expressed in Escherichia coli showed the highest level of activity with jasmonic acid (JA) among carboxylic acids tested. It was therefore renamed PtJMT1. PtJMT1 also displayed activity with benzoic acid (BA), with which the activity was about 22% of that with JA. PtSABATH2 and PtSABATH4 were most similar to PtJMT1 among all PtSABATHs. However, neither of them had activity with JA. The apparent Km values of PtJMT1 using JA and BA as substrate were 175 lM and 341 lM, respectively. Mutation of Ser-153 and Asn-361, two residues in the active site of PtJMT1, to Tyr and Ser respectively, led to higher specific activity with BA than with JA. Homology-based structural modeling indicated that substrate alignment, in which Asn-361 is involved, plays a role in determining the substrate specificity of PtJMT1. In the leaves of young seedlings of black cottonwood, the expression of PtJMT1 was induced by plant defense signal molecules methyl jasmonate and salicylic acid and a fungal elicitor alamethicin, suggesting that PtJMT1 may have a role in plant defense against biotic stresses. Phylogenetic analysis suggests that PtJMT1 shares a common ancestor with the Arabidopsis JMT, and functional divergence of these two apparent JMT orthologs has occurred since the split of poplar and Arabidopsis lineages.

  1. Simultaneous determination of phenolic acids and flavonoids in rice using solid-phase extraction and RP-HPLC with photodiode array detection.

    Science.gov (United States)

    Irakli, Maria N; Samanidou, Victoria F; Biliaderis, Costas G; Papadoyannis, Ioannis N

    2012-07-01

    An analytical method based on an optimized solid-phase extraction procedure and followed by high-performance liquid chromatography (HPLC) separation with diode array detection was developed and validated for the simultaneous determination of phenolic acids (gallic, protocatechuic, 4-hydroxy-benzoic, vanillic, caffeic, syringic, p-coumaric, ferulic, sinapic, and cinnamic acids), flavanols (catechin and epicatechin), flavonols (myricetin, quercetin, kaempferol, quercetin-3-O-glucoside, hyperoside, and rutin), flavones (luteolin and apigenin) and flavanones (naringenin and hesperidin) in rice flour (Oryza sativa L.). Chromatographic separation was carried out on a PerfectSil Target ODS-3 (250 mm × 4.6 mm, 3 μm) column at temperature 25°C using a mobile phase, consisting of 0.5% (v/v) acetic acid in water, methanol, and acetonitrile at a flow rate 1 mL min(-1) , under gradient elution conditions. Application of optimum extraction conditions, elaborated on both Lichrolut C(18) and Oasis HLB cartridges, have led to extraction of phenolic acids and flavonoids from rice flour with mean recoveries 84.3-113.0%. The developed method was validated in terms of linearity, accuracy, precision, stability, and sensitivity. Repeatability (n = 5) and inter-day precision (n = 4) revealed relative standard deviation (RSD) acids and flavonoids in pigmented (red and black rice) and non-pigmented rice (brown rice) samples. PMID:22761138

  2. Drug: D00038 [KEGG MEDICUS

    Lifescience Database Archive (English)

    Full Text Available D00038 Drug Benzoic acid (JP16/USP); Benzoic acid (TN) C7H6O2 122.0368 122.1213 D00038.gif Pharm ... gents not mainly for therapeutic purpose 73 Public health ... agents 731 Antiseptics 7319 Others D00038 Benzoic ...

  3. Efficacy of two acidic sanitizers for microbial reduction on metal cans and low-density polyethylene film surfaces.

    Science.gov (United States)

    Lee, J; Gupta, M J; Lopes, J; Pascall, M A

    2007-10-01

    This study investigated 2 sanitizer formulations and compared them with hydrogen peroxide (H(2)O(2)). Formulation number 1 contained citric acid and sodium dodecylbenzene sulfonate (SDBS). Formulation number 2 contained SDBS, citric, lactic, phosphoric acids, and benzoic acid. Low concentration levels of the sanitizers (1.0% for formulation 1 and 0.5% for formulation 2) were compared with 35% H(2)O(2) for their efficacies on Escherichia coli, Listeria innocua, and Saccharomyces cerevisiae inoculated onto low-density polyethylene (LDPE) films and metal cans at room temperature (23 +/- 1 degrees C) and 40 degrees C. The results showed that both formulations 1 and 2 required >120 s to sanitize both materials from microbial populations at room temperature, while <15 s was needed for the H(2)O(2). Except for formulation 1 on the E. coli inoculated LDPE film surface, the sanitizers completely eliminated the bacterial populations on both materials in 60 s at 40 degrees C. In general, the formulations were more effective for reduction of the microbial numbers on the can material when compared with the LDPE film. The E. coli showed greater tolerance for the sanitizers when exposed to the process conditions in this study. All sanitizers completely eliminated the test organisms in

  4. Understanding Acid Rain

    Science.gov (United States)

    Damonte, Kathleen

    2004-01-01

    The term acid rain describes rain, snow, or fog that is more acidic than normal precipitation. To understand what acid rain is, it is first necessary to know what an acid is. Acids can be defined as substances that produce hydrogen ions (H+), when dissolved in water. Scientists indicate how acidic a substance is by a set of numbers called the pH…

  5. Synthesis of terephthalic acid via Diels-Alder reactions with ethylene and oxidized variants of 5-hydroxymethylfurfural.

    Science.gov (United States)

    Pacheco, Joshua J; Davis, Mark E

    2014-06-10

    Terephthalic acid (PTA), a monomer in the synthesis of polyethylene terephthalate (PET), is obtained by the oxidation of petroleum-derived p-xylene. There is significant interest in the synthesis of renewable, biomass-derived PTA. Here, routes to PTA starting from oxidized products of 5-hydroxymethylfurfural (HMF) that can be produced from biomass are reported. These routes involve Diels-Alder reactions with ethylene and avoid the hydrogenation of HMF to 2,5-dimethylfuran. Oxidized derivatives of HMF are reacted with ethylene over solid Lewis acid catalysts that do not contain strong Brønsted acids to synthesize intermediates of PTA and its equally important diester, dimethyl terephthalate (DMT). The partially oxidized HMF, 5-(hydroxymethyl)furoic acid (HMFA), is reacted with high pressure ethylene over a pure-silica molecular sieve containing framework tin (Sn-Beta) to produce the Diels-Alder dehydration product, 4-(hydroxymethyl)benzoic acid (HMBA), with 31% selectivity at 61% HMFA conversion after 6 h at 190 °C. If HMFA is protected with methanol to form methyl 5-(methoxymethyl)furan-2-carboxylate (MMFC), MMFC can react with ethylene in the presence of Sn-Beta for 2 h to produce methyl 4-(methoxymethyl)benzenecarboxylate (MMBC) with 46% selectivity at 28% MMFC conversion or in the presence of a pure-silica molecular sieve containing framework zirconium (Zr-Beta) for 6 h to produce MMBC with 81% selectivity at 26% MMFC conversion. HMBA and MMBC can then be oxidized to produce PTA and DMT, respectively. When Lewis acid containing mesoporous silica (MCM-41) and amorphous silica, or Brønsted acid containing zeolites (Al-Beta), are used as catalysts, a significant decrease in selectivity/yield of the Diels-Alder dehydration product is observed. PMID:24912153

  6. Qualitative analysis of some carboxylic acids by ion-exclusion chromatography with atmospheric pressure chemical ionization mass spectrometric detection.

    Science.gov (United States)

    Helale, Murad I H; Tanaka, Kazuhiko; Taoda, Hiroshi; Hu, Wenzhi; Hasebe, Kiyoshi; Haddad, Paul R

    2002-05-17

    A simple, selective and sensitive method for the determination of carboxylic acids has been developed. A mixture of formic, acetic, propionic, valeric, isovaleric, isobutyric, and isocaproic acids has been separated on a polymethacrylate-based weak acidic cation-exchange resin (TSK gel OA pak-A) based on an ion-exclusion chromatographic mechanism with detection using UV-photodiode array, conductivity and atmospheric pressure chemical ionization mass spectrometry (APCI-MS). A mobile phase consisting of 0.85 mM benzoic acid in 10% aqueous methanol (pH 3.89) was used to separate the above carboxylic acids in about 40 min. For LC-MS, the APCI interface was used in the negative ionization mode. Linear plots of peak area versus concentration were obtained over the range 1-30 mM (r2=0.9982) and 1-30 mM (r2=0.9958) for conductimetric and MS detection, respectively. The detection limits of the target carboxylic acids calculated at S/N=3 ranged from 0.078 to 2.3 microM for conductimetric and photometric detection and from 0.66 to 3.82 microM for ion-exclusion chromatography-APCI-MS. The reproducibility of retention times was 0.12-0.16% relative standard deviation for ion-exclusion chromatography and 1.21-2.5% for ion-exclusion chromatography-APCI-MS. The method was applied to the determination of carboxylic acids in red wine, white wine, apple vinegar, and Japanese rice wine. PMID:12108651

  7. Dehydroabietic acid

    Directory of Open Access Journals (Sweden)

    Xiao-Ping Rao

    2009-10-01

    Full Text Available The title compound [systematic name: (1R,4aS,10aR-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid], C20H28O2, has been isolated from disproportionated rosin which is obtained by isomerizing gum rosin with a Pd-C catalyst.. Two crystallographically independent molecules exist in the asymmetric unit. In each molecule, there are three six-membered rings, which adopt planar, half-chair and chair conformations. The two cyclohexane rings form a trans ring junction with the two methyl groups in axial positions. The crystal structure is stabilized by intermolecular O—H...O hydrogen bonds.

  8. Expression of a functional jasmonic acid carboxyl methyltransferase is negatively correlated with strawberry fruit development.

    Science.gov (United States)

    Preuß, Anja; Augustin, Christiane; Figueroa, Carlos R; Hoffmann, Thomas; Valpuesta, Victoriano; Sevilla, José F; Schwab, Wilfried

    2014-09-15

    The volatile metabolite methyl jasmonate (MeJA) plays an important role in intra- and interplant communication and is involved in diverse biological processes. In this study, we report the cloning and functional characterization of a S-adenosyl-l-methionine:jasmonic acid carboxyl methyltransferase (JMT) from Fragaria vesca and Fragaria×ananassa. Biochemical assays and comprehensive transcript analyses showed that JMT has been erroneously annotated as gene fusion with a carboxyl methyltransferase (CMT) (gene15184) in the first published genome sequence of F. vesca. Recombinant FvJMT catalyzed the formation of MeJA with KM value of 22.3μM while FvCMT and the fusion protein were almost inactive. Activity of JMT with benzoic acid and salicylic acid as substrates was less than 1.5% of that with JA. Leucine at position 245, an amino acid missing in other JMT sequences is essential for activity of FvJMT. In accordance with MeJA levels, JMT transcript levels decreased steadily during strawberry fruit ripening, as did the expression levels of JA biosynthesis and regulatory genes. It appears that CMT has originated by a recent duplication of JMT and lost its enzymatic activity toward JA. In the newest version of the strawberry genome sequence (June 2014) CMT and JMT are annotated as separate genes in accordance with differential temporal and spatial expression patterns of both genes in Fragaria sp. In conclusion, MeJA, the inactive derivative of JA, is probably involved in early steps of fruit development by modulating the levels of the active plant hormone JA. PMID:25046752

  9. 固相萃取-液相色谱法测定糕点中脱氢乙酸、苯甲酸、山梨酸的方法研究%Determination of dehydroacetic acid, benzoic acid, sorbic acid in cake and pastry by solid phase extraction- high performance liquid chromatography

    Institute of Scientific and Technical Information of China (English)

    吴玉娟

    2007-01-01

    建立了固相萃取-高效液相色谱法测定糕点中的脱氢乙酸、苯甲酸、山梨酸的方法.实验结果表明,在(0.02~0.15)mg/mL时有良好的线性关系(r>0.997),相对标准偏差(RSD)为1.0%~2.5%,回收率96.2%~102.1%.该方法简单、快速、灵敏度高,并具有良好的精密度与准确度,可作为糕点中检测防腐剂的有效定量方法.

  10. High fluorescence emission of carboxylic acid functionalized polystyrene/BaTiO3 nanocomposites and rare earth metal complexes: Preparation and characterization

    International Nuclear Information System (INIS)

    Noble fluorescence nanocomposite compound based on barium titanate nanoparticles (BTO), polystyrene (PSt), and terbium ion (Tb3+) was synthesized by a combination of surface-initiated reversible addition-fragmentation chain transfer (RAFT) polymerization, Friedel-Crafts alkylation reaction and coordinate chemistry. Initially, a modification of surface of BTO was conducted by an exchange process with S-benzyl S’-trimethoxysilylpropyltrithiocarbonate to create macro-initiator for polymerization of styrene. Subsequently, aryl carboxylic acid functionalized polystyrene grafted barium titanate (BTO-g-PSt-COOH) was generated by substitution reaction between 4-(Chloromethyl) benzoic acid and PSt chains. The coordination of the nanohybrids with Tb3+ ions afforded fluorescent Tb3+ tagged aryl carboxylic acid functionalized polystyrene grafted barium titanate (BTO-g-PSt-Tb3+) complexes. Structure, morphology, and fluorescence properties of nanohybrid complexes were investigated by respective physical and spectral studies. FT-IR and SEM analyses confirmed the formation of BTO-g-PSt-Tb3+nanohybrids. Furthermore, TGA profiles demonstrated the grafting of aryl carboxylic acid functionalized polystyrene on BTO surface. Optical properties of BTO-g-PSt-Tb3+ complexes were investigated by fluorescence spectroscopy

  11. Dissolution of weak acids under laminar flow and rotating disk hydrodynamic conditions: application of a comprehensive convection-diffusion-migration-reaction transport model.

    Science.gov (United States)

    Neervannan, Seshadri; Southard, Marylee Z; Stella, Valentino J

    2012-09-01

    A steady-state mass transfer model that incorporates convection, diffusion, ionic migration, and ionization reaction processes was extended to describe the dissolution of weak acids under laminar flow and a rotating disk hydrodynamics. The model accurately predicted the experimental dissolution rates of benzoic acid, 2-naphthoic acid, and naproxen in unbuffered and monoprotic buffers within the physiological pH range for both hydrodynamic systems. Simulations at various flow rates indicated a cube root dependency of dissolution rate on the flow rate for a given bulk pH value for the laminar hydrodynamic system, as proposed earlier by Shah and Nelson (1975. J Pharm Sci 64(9):1518-1520) for neutral compounds. The model has limitations in its ability to accurately predict the dissolution of weak acids under certain conditions that imposed steep concentration gradients, such as high pH values, and for polyprotic buffer systems that caused the numerical solution to be unstable, suggesting that alternative numerical techniques may be required to obtain a stable numerical solution at all conditions. The model presents many advantages, most notably the ability to successfully predict the complex process under physiological conditions without simplifying assumptions, and therefore accurately representing the system in a comprehensive manner. PMID:22623113

  12. High fluorescence emission of carboxylic acid functionalized polystyrene/BaTiO{sub 3} nanocomposites and rare earth metal complexes: Preparation and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Cao, X. T.; Showkat, A. M.; Wang, Z.; Lim, K. T., E-mail: ktlim@pknu.ac.kr [Department of Imaging System Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2015-03-30

    Noble fluorescence nanocomposite compound based on barium titanate nanoparticles (BTO), polystyrene (PSt), and terbium ion (Tb{sup 3+}) was synthesized by a combination of surface-initiated reversible addition-fragmentation chain transfer (RAFT) polymerization, Friedel-Crafts alkylation reaction and coordinate chemistry. Initially, a modification of surface of BTO was conducted by an exchange process with S-benzyl S’-trimethoxysilylpropyltrithiocarbonate to create macro-initiator for polymerization of styrene. Subsequently, aryl carboxylic acid functionalized polystyrene grafted barium titanate (BTO-g-PSt-COOH) was generated by substitution reaction between 4-(Chloromethyl) benzoic acid and PSt chains. The coordination of the nanohybrids with Tb{sup 3+} ions afforded fluorescent Tb{sup 3+} tagged aryl carboxylic acid functionalized polystyrene grafted barium titanate (BTO-g-PSt-Tb{sup 3+}) complexes. Structure, morphology, and fluorescence properties of nanohybrid complexes were investigated by respective physical and spectral studies. FT-IR and SEM analyses confirmed the formation of BTO-g-PSt-Tb{sup 3+}nanohybrids. Furthermore, TGA profiles demonstrated the grafting of aryl carboxylic acid functionalized polystyrene on BTO surface. Optical properties of BTO-g-PSt-Tb{sup 3+} complexes were investigated by fluorescence spectroscopy.

  13. Co-permeability of 3H-labeled water and 14C-labeled organic acids across isolated plant cuticles. Investigating cuticular paths of diffusion and predicting cuticular transpiration

    International Nuclear Information System (INIS)

    Penetration of 3H-labeled water (3H2O) and the 14C-labeled organic acids benzoic acid ([14C]BA), salicylic acid ([14C]SA), and 2,4-dichlorophenoxyacetic acid ([14C]2,4-D) were measured simultaneously in isolated cuticular membranes of Prunus laurocerasus L., Ginkgo biloba L., and Juglans regia L. For each of the three pairs of compounds (3H2O/[14C]BA, 3H2O/[14C]SA, and 3H2O/[14C]2,4-D) rates of cuticular water penetration were highly correlated with the rates of penetration of the organic acids. Therefore, water and organic acids penetrated the cuticles by the same routes. With the combination 3H2O/[14C]BA, co-permeability was measured with isolated cuticles of nine other plant species. Permeances of 3H2O of all 12 investigated species were highly correlated with the permeances of [14C]BA (r2 = 0.95). Thus, cuticular transpiration can be predicted from BA permeance. The application of this experimental method, together with the established prediction equation, offers the opportunity to answer several important questions about cuticular transport physiology in future investigations

  14. Retarded acid emulsion

    Energy Technology Data Exchange (ETDEWEB)

    Fast, C.R.; Rixe, F.H.; Duffield, E.L. Jr.

    1972-08-01

    Compositions for use in acidizing hydrocarbon-bearing formations are described. Retarded acid emulsions of prolonged stability make it possible for the acid in this form to be displaced substantial distances out into the formation before becoming spent. The action of acid emulsions for use in acidizing hydrocarbon-bearing formations is prolonged by employing as the principal emulsifying agent an amine salt of dodecylbenzene sulfonic acid. Acid emulsions employing the amine salt of dodecylbenzene sulfonic acid exhibit greater stability than those employing the free acid. (8 claims)

  15. Flavonoids and phenolic acids from pearl millet (Pennisetum glaucum based foods and their functional implications

    Directory of Open Access Journals (Sweden)

    Vanisha S Nambiar

    2012-07-01

    Full Text Available Background: Pearl millet (Pennisetum glaucum, considered a poor man’s cereal, may be a repository of dietary antioxidants, especially flavonoids and phenolic acids, which provide bioactive mechanisms to reduce free radical induced oxidative stress and probably play a role in the prevention of ageing and various diseases associated with oxidative stress, such as cancer, cardiovascular, and neurodegenerative diseases.Objective: The present study focused on the identification of individual flavonoids and phenolic acids from seven commercial varieties of pearl millet and five samples of pearl millet-based traditional recipes of Banaskantha, Gujarat, India.Methods: Total phenols were determined by the Folin-Ciocalteu method, and individual polyphenol separation included the isolation and identification of (a flavonoids, (b phenolic acids, and (c glycoflavones involving interaction with diagnostic reagents and paper chromatographic separation of compounds and their UV-visible spectroscopic studies including hypsochromic and bathchromic shifts with reagents such as AlCl3, AlCl3/HCl, NaOMe, NaOAc,and NaOAc/H3PO3. Five traditional recipes consumed in the pearl millet producing belt of Banaskantha, Gujarat, India, were standardized in the laboratory and analyzed for phenol and individual flavonoids. Results: Total phenols in raw samples ranged from 268.5 - 420mg/100g of DW and 247.5 -Functional Foods in Health and Disease 2012, 2(7:251-264335mg/100g of DW in cooked recipes. The commonly identified flavonoids were tricin, acacetin, 3, 4 Di-OMe luteolin, and 4-OMe tricin. Five phenolic acids were identified: namely vanilic acid, syringic acid, melilotic acid, para-hydroxyl benzoic acid, and salicylic acid.Conclusion: The presence of flavonoids, such as tricin, acacetin, 3, 4 Di-OMe luteolin, and 4-OMe tricin, indicate the chemopreventive efficacy of pearl millet. They may be inversely related to mortality from coronary heart disease and to the incidence

  16. Organosulfates and organic acids in Arctic aerosols: speciation, annual variation and concentration levels

    Science.gov (United States)

    Hansen, A. M. K.; Kristensen, K.; Nguyen, Q. T.; Zare, A.; Cozzi, F.; Nøjgaard, J. K.; Skov, H.; Brandt, J.; Christensen, J. H.; Ström, J.; Tunved, P.; Krejci, R.; Glasius, M.

    2014-02-01

    Sources, composition and occurrence of secondary organic aerosols (SOA) in the Arctic were investigated at Zeppelin Mountain, Svalbard, and Station Nord, northeast Greenland, during the full annual cycle of 2008 and 2010 respectively. We focused on the speciation of three types of SOA tracers: organic acids, organosulfates and nitrooxy organosulfates from both anthropogenic and biogenic precursors, here presenting organosulfate concentrations and compositions during a full annual cycle and chemical speciation of organosulfates in Arctic aerosols for the first time. Aerosol samples were analysed using High Performance Liquid Chromatography coupled to a quadrupole Time-of-Flight mass spectrometer (HPLC-q-TOF-MS). A total of 11 organic acids (terpenylic acid, benzoic acid, phthalic acid, pinic acid, suberic acid, azelaic acid, adipic acid, pimelic acid, pinonic acid, diaterpenylic acid acetate (DTAA) and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA)), 12 organosulfates and one nitrooxy organosulfate were identified at the two sites. Six out of the 12 organosulfates are reported for the first time. Concentrations of organosulfates follow a distinct annual pattern at Station Nord, where high concentration were observed in late winter and early spring, with a mean total concentration of 47 (±14) ng m-3, accounting for 7 (±2)% of total organic matter, contrary to a considerably lower organosulfate mean concentration of 2 (±3) ng m-3 (accounting for 1 (±1)% of total organic matter) observed during the rest of the year. The organic acids followed the same temporal trend as the organosulfates at Station Nord; however the variations in organic acid concentrations were less pronounced, with a total mean organic acid concentration of 11.5 (±4) ng m-3 (accounting for 1.7 (±0.6)% of total organic matter) in late winter and early spring, and 2.2 (±1) ng m-3 (accounting for 0.9 (±0.4)% of total organic matter) during the rest of the year. At Zeppelin Mountain

  17. Organosulfates and organic acids in Arctic aerosols: speciation, annual variation and concentration levels

    Directory of Open Access Journals (Sweden)

    A. M. K. Hansen

    2014-02-01

    Full Text Available Sources, composition and occurrence of secondary organic aerosols (SOA in the Arctic were investigated at Zeppelin Mountain, Svalbard, and Station Nord, northeast Greenland, during the full annual cycle of 2008 and 2010 respectively. We focused on the speciation of three types of SOA tracers: organic acids, organosulfates and nitrooxy organosulfates from both anthropogenic and biogenic precursors, here presenting organosulfate concentrations and compositions during a full annual cycle and chemical speciation of organosulfates in Arctic aerosols for the first time. Aerosol samples were analysed using High Performance Liquid Chromatography coupled to a quadrupole Time-of-Flight mass spectrometer (HPLC-q-TOF-MS. A total of 11 organic acids (terpenylic acid, benzoic acid, phthalic acid, pinic acid, suberic acid, azelaic acid, adipic acid, pimelic acid, pinonic acid, diaterpenylic acid acetate (DTAA and 3-methyl-1,2,3-butanetricarboxylic acid (MBTCA, 12 organosulfates and one nitrooxy organosulfate were identified at the two sites. Six out of the 12 organosulfates are reported for the first time. Concentrations of organosulfates follow a distinct annual pattern at Station Nord, where high concentration were observed in late winter and early spring, with a mean total concentration of 47 (±14 ng m−3, accounting for 7 (±2% of total organic matter, contrary to a considerably lower organosulfate mean concentration of 2 (±3 ng m−3 (accounting for 1 (±1% of total organic matter observed during the rest of the year. The organic acids followed the same temporal trend as the organosulfates at Station Nord; however the variations in organic acid concentrations were less pronounced, with a total mean organic acid concentration of 11.5 (±4 ng m−3 (accounting for 1.7 (±0.6% of total organic matter in late winter and early spring, and 2.2 (±1 ng m−3 (accounting for 0.9 (±0.4% of total organic matter during the rest of the year. At Zeppelin Mountain

  18. Plasma amino acids

    Science.gov (United States)

    Amino acids blood test ... types of methods used to determine the individual amino acid levels in the blood. ... test is done to measure the level of amino acids in the blood. An increased level of a ...

  19. Acid Lipase Disease

    Science.gov (United States)

    ... Enhancing Diversity Find People About NINDS NINDS Acid Lipase Disease Information Page Synonym(s): Cholesterol Ester Storage Disease, ... Related NINDS Publications and Information What is Acid Lipase Disease ? Acid lipase disease or deficiency occurs when ...

  20. Ultraviolet light and ozone stimulate accumulation of salicylic acid, pathogenesis-related proteins and virus resistance in tobacco

    International Nuclear Information System (INIS)

    In tobacco (Nicotiana tabacum L. cv. Xanthinc), salicylic acid (SA) levels increase in leaves inoculated by necrotizing pathogens and in healthy leaves located above the inoculated site. Systemic SA increase may trigger disease resistance and synthesis of pathogenesis-related proteins (PR proteins). Here we report that ultraviolet (UV)-C light or ozone induced biochemical responses similar to those induced by necrotizing pathogens. Exposure of leaves to UV-C light or ozone resulted in a transient ninefold increase in SA compared to controls. In addition, in UV-light-irradiated plants, SA increased nearly fourfold to 0.77 μg·g−1 fresh weight in leaves that were shielded from UV light. Increased SA levels were accompanied by accumulation of an SA conjugate and by an increase in the activity of benzoic acid 2-hydroxylase which catalyzes SA biosynthesis. In irradiated and in unirradiated leaves of plants treated with UV light, as well as in plants fumigated with ozone, PR proteins 1a and 1b accumulated. This was paralleled by the appearance of induced resistance to a subsequent challenge with tobacco mosaic virus. The results suggest that UV light, ozone fumigation and tobacco mosaic virus can activate a common signal-transduction pathway that leads to SA and PR-protein accumulation and increased disease resistance. (author)

  1. Influence of methoxy-substituents on the strength of Br … Br type II halogen bonds in bromobenzoic acid

    Science.gov (United States)

    Raffo, Pablo A.; Marcolongo, Juan P.; Funes, Alejandro V.; Slep, Leonardo D.; Baggio, Ricardo F.; Cukiernik, Fabio D.

    2016-03-01

    4-bromo-3,5-di(methoxy)benzoic acid (I) crystallizes in the monoclinic C2/c space group, a = 22.3405 (6) Å, b = 4.85142 (14) Å, c = 18.1583 (5) Å, β = 93.086 (2)°. The crystal structure shows head-to-head dimeric units linked via type II Br … Br interactions as well as Br … π and weak H-bonding interactions. The whole structure exhibits features similar to those of the parent 4-bromobenzoic acid (II), most notably the overall geometrical features involved in the Br … Br type II interactions. Both structures display comparable C-Br … Br angles (θ1 = 98.3 and 91.6° and θ2 = 163.0 and 163.5° for (I) and (II) respectively), but the Br … Br distance is significantly shorter in (I) (3.58 Å) than in (II) (3.81 Å). QM computations provide the magnitude of the intermolecular interactions present in both (I) and (II), and allow disclosing the individual covalent and electrostatic contributions to the Br⋯Br halogen bond in terms of interaction energies, electrostatic potentials, and a molecular orbital (MO) analysis.

  2. POLYELEOSTEARIC ACID VESICLES

    Institute of Scientific and Technical Information of China (English)

    LI Zichen; XIE Ximng; FAN Qinghua; FANG Yifei

    1992-01-01

    α-Eleostearic acid and β-eleostearic acid formed vesicles in aqueous medium when an ethanol solutionofeleostearic acid was injected rapidly into a vigorously vortexed aqueous phase. Formation of the vesicles was demonstrated by electron microscopic observation and bromothymol blue encapsulation experiments. Polymerizations of the eleostearic acids in the formed vesicles carried out by UV irradiation produced poly-α-eleostearic acid and poly-β-eleostearic acid vesicles.

  3. Acid distribution in phosphoric acid fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Okae, I.; Seya, A.; Umemoto, M. [Fuji Electric Co., Ltd., Chiba (Japan)

    1996-12-31

    Electrolyte acid distribution among each component of a cell is determined by capillary force when the cell is not in operation, but the distribution under the current load conditions had not been clear so far. Since the loss of electrolyte acid during operation is inevitable, it is necessary to store enough amount of acid in every cell. But it must be under the level of which the acid disturbs the diffusion of reactive gases. Accordingly to know the actual acid distribution during operation in a cell is very important. In this report, we carried out experiments to clarify the distribution using small single cells.

  4. Modelling of the effect of solute structure and mobile phase pH and composition on the retention of phenoxy acid herbicides in reversed-phase high-performance liquid chromatography

    International Nuclear Information System (INIS)

    A feed-forward artificial neural network (ANN) learned by error back-propagation is used to generate a retention predictive model for phenoxy acid herbicides in isocratic reversed-phase high-performance liquid chromatography. The investigated solutes (18 compounds), apart from the most common herbicides of this class, include some derivatives of benzoic acid and phenylacetic acid structurally related to phenoxy acids, as a whole covering a pKa range between 2.3 and 4.3. A mixed model in terms of both solute descriptors and eluent attributes is built with the aim of predicting retention in water-acetonitrile mobile phases within a large range of composition (acetonitrile from 30% to 70%, v/v) and acidity (pH of water before mixing with acetonitrile ranging between 2 and 5). The set of input variables consists of solute pKa and quantum chemical molecular descriptors of both the neutral and dissociated form, %v/v of acetonitrile in the mobile phase and pH of aqueous phase before mixing with acetonitrile. After elimination of redundant variables, a nine-dimensional model is identified and its prediction ability is evaluated by external validation based on three solutes not involved in model generation and by cross-validation. A multilinear counterpart in terms of the same descriptors is seen to provide a noticeably poorer retention prediction

  5. Flavonoid and phenolic acid profile by LC-MS/MS and biological activity of crude extracts from Chenopodium hybridum aerial parts.

    Science.gov (United States)

    Podolak, I; Olech, M; Galanty, A; Załuski, D; Grabowska, K; Sobolewska, D; Michalik, M; Nowak, R

    2016-08-01

    Extracts from leaves and stems of Chenopodium hybridum were characterised for the presence and quantity of flavonoids and phenolic acids by LC-ESI-MS/MS. Five flavonoids and eight phenolic acids were detected for the first time in aerial parts of this plant species, the most abundant compounds being rutin (2.80 μg/g DW), 3-kaempferol rutinoside (2.91 μg/g DW), 4-OH-benzoic (1.86 μg/g DW) and syringic acids (2.31 μg/g DW). Extracts were tested for anti-inflammatory/antiarthritic, antihyaluronidase and cytotoxic activities against human prostate cancer (Du145, PC3) and melanoma cell lines (A375, HTB140 and WM793) of different malignancy. None of the extracts protected bovine serum albumin from heat-induced denaturation. Antihyaluronidase effect at the tested concentration was higher than standard naringenin. Cytotoxic activity was generally low with an exception of the extract from the leaves, which was found most effective against prostate Du145 cell line with 98.28 ± 1.13% of dead cells at 100 μg/mL. PMID:26810568

  6. A study of facial wrinkles improvement effect of veratric acid from cauliflower mushroom through photo-protective mechanisms against UVB irradiation.

    Science.gov (United States)

    Lee, Kyung-Eun; Park, Ji-Eun; Jung, Eunsun; Ryu, Jahyun; Kim, Youn Joon; Youm, Jong-Kyung; Kang, Seunghyun

    2016-04-01

    Solar ultraviolet (UV) irradiation is a primary cause of premature skin aging that is closely associated with the degradation of collagens caused by up-regulation of matrix metalloproteinases (MMPs) or a decrease in collagen synthesis. The phenolic veratric acid (VA, 3,4-dimethoxybenzoic acid) is one of the major benzoic acid derivatives from fruits, vegetables and medicinal mushrooms. VA has been reported to have anti-inflammatory, anti-oxidant and photo-protective effects. In this study, anti-photoaging effects were investigated through the photo-protective mechanisms of VA against UV irradiation in human dermal fibroblasts and the reconstructed human epidermal model. We used reverse transcription-polymerase chain reaction, Western blot analysis, hematoxylin and eosin staining (H&E) and immunohistochemistry assays. Finally, we further investigated the clinical effects of VA on facial wrinkle improvements in humans. Our results demonstrate that VA attenuated the expression of MMPs, increased cell proliferation, type Ι procollagen, tissue inhibitors of metalloproteinases, and filaggrin against UV radiation; however, has no effect on improvement expressions of elastic fiber. In addition, treatment with cream containing VA improved facial wrinkles in a clinical trial. These findings indicate that VA improves wrinkle formation by modulating MMPs, collagens and epidermal layer integrity, suggesting its potential use in UV-induced premature skin aging. PMID:26914455

  7. Thermochemolysis of the Murchison meteorite: identification of oxygen bound and occluded units in the organic macromolecule

    OpenAIRE

    Watson, Jonathan S.; Mark A. Sephton; Gilmour, Iain

    2010-01-01

    An organic macromolecular residue, prepared from the Murchison meteorite by treatment with hydrofluoric and hydrochloric acids, was subjected to online thermochemolysis with tetramethylammonium hydroxide (TMAH). The most abundant compound released by thermochemolysis was benzoic acid. Other abundant compounds include methyl and dimethyl benzoic acids as well as methoxy benzoic acids. Short chain dicarboxylic acids (C4–8) were also released from the organic macromolecule. Within the C1 and C2 ...

  8. Catalystic synthesis of methyl paraben by aminosulfonic acid%氨基磺酸催化合成尼泊金甲酯

    Institute of Scientific and Technical Information of China (English)

    刘玉婷; 王金玉; 尹大伟; 刘斌; 付青

    2014-01-01

    Methyl paraben (Methyl-p-hydroxy benzonate) was synthesized from p-hyroxy-benzoic acid and methanol ,aminosulfonic acid was used as catalyst .The effects of molar rati-o of alcohol to acid reaction ,reaction time ,the amount of catalyst on esterification yield were studied .The optimal reaction conditions were obtained by orthogonal experiment technology and the results as follow s :(take p-hydroxybenzoic acid of 0 .1 mol as basis) the molar ratio of methanol and hydroxybenzoic acid is 5 ,the dosage of aminosulfonic acid is 2 .0 g ,the reaction time is 7 h ,the yield of esterification is 92 .5% .Aminosulfonic acid is a high effencient ,envi-ronmentally friendly and green esterification catalyst .%以对羟基苯甲酸和甲醇为原料,在氨基磺酸催化下发生酯化反应合成尼泊金甲酯.讨论了醇酸摩尔比、回流时间、催化剂用量等对尼泊金甲酯产率的影响,并通过正交实验确定了最佳合成工艺(以对羟基苯甲酸为0.05 mol为准):甲醇与对羟基苯甲酸的摩尔比为5∶1,氨基磺酸用量为2.0g,反应时间为7h,产率为92.28%.氨基磺酸是一种高效,环保,绿色的酯化反应催化剂.

  9. Auxiliary aromatic-acid effect on the structures of a series of ZnII coordination polymers: Syntheses, crystal structures, and photoluminescence properties

    International Nuclear Information System (INIS)

    Five novel ZnII-(pyridyl)imidazole derivative coordination polymers, [Zn(L)2] (1), [Zn2(μ3-OH)L(m-BDC)] (2), [Zn2(μ3-OH)L(p-BDC)].H2O (3), [Zn2L(BTC)(H2O)].2.5H2O (4) and [Zn3.5(μ3-OH)L2(BTEC)(H2O)].H2O (5) (L=4-((2-(pyridine-2-yl)-1H-imidazol-1-yl)methyl)benzoic acid, p-H2BDC=1,4-benzenedicarboxylic acid, m-H2BDC=1,3-benzenedicarboxylic acid, H3BTC=1,3,5-benzenetricarboxylic acid, H4BTEC=1,2,4,5-benzenetetracarboxylic acid), were successfully synthesized under hydrothermal conditions through varying auxiliary aromatic-acid ligands and structurally characterized by X-ray crystallography. Compound 1 exhibits a 1D chain linked via double L bridges. Compound 2 features a well-known pcu topology with bent dicarboxylate ligand (m-H2BDC) as an auxiliary ligand, while 3 displays a bcu network with linear dicarboxylate ligand (p-H2BDC) as an auxiliary ligand. The structure of compound 4 is a novel 3D (3,5)-connected network with (4.62)(4.64.82.10.122) topology. It is interesting that compound 5 shows an intricate (3,4,8)-connected framework with (4.62)(42.63.8)(42.64)(42.618.7.86.10) topology. In addition, their infrared spectra (IR), X-ray powder diffraction (XPRD) and photoluminescent properties were also investigated in detail. - Graphical abstract: Five novel ZnII-organic architectures have been hydrothermally synthesized through varying auxiliary aromatic-acid ligands and characterized by X-ray diffraction, the photoluminescence properties of compounds 1-5 were studied.

  10. Assessment of Envi-Carb™ as a passive sampler binding phase for acid herbicides without pH adjustment.

    Science.gov (United States)

    Seen, Andrew; Bizeau, Oceane; Sadler, Lachlan; Jordan, Timothy; Nichols, David

    2014-05-01

    The graphitised carbon solid phase extraction (SPE) sorbent Envi-Carb has been used to fabricate glass fibre filter- Envi-Carb "sandwich" disks for use as a passive sampler for acid herbicides. Passive sampler uptake of a suite of herbicides, including the phenoxyacetic acid herbicides 4-chloro-o-tolyloxyacetic acid (MCPA), 2,4-dichlorophenoxyacetic acid (2,4-D) and 3,6-dichloro-2-methoxybenzoic acid (Dicamba), was achieved without pH adjustment, demonstrating for the first time a suitable binding phase for passive sampling of acid herbicides at neutral pH. Passive sampling experiments with Duck River (Tasmania, Australia) water spiked at 0.5 μg L(-1) herbicide concentration over a 7 d deployment period showed that sampling rates in Duck River water decreased for seven out of eight herbicides, and in the cases of 3,6-dichloro-2-pyridinecarboxylic acid (Clopyralid) and Dicamba no accumulation of the herbicides occurred in the Envi-Carb over the deployment period. Sampling rates for 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid (Picloram), 2,4-D and MCPA decreased to approximately 30% of the sampling rates in ultrapure water, whilst sampling rates for 2-(4,6-dimethylpyrimidin-2-ylcarbamoylsulfamoyl) benzoic acid, methyl ester (Sulfometuron-methyl) and 3,5,6-Trichloro-2-pyridinyloxyacetic acid (Triclopyr) were approximately 60% of the ultrapure water sampling rate. For methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-D-alaninate (Metalaxyl-M) there was little variation in sampling rate between passive sampling experiments in ultrapure water and Duck River water. SPE experiments undertaken with Envi-Carb disks using ultrapure water and filtered and unfiltered Duck River water showed that not only is adsorption onto particulate matter in Duck River water responsible for a reduction in herbicide sampling rate, but interactions of herbicides with dissolved or colloidal matter (matter able to pass through a 0.2 μm membrane filter) also reduces the herbicide sampling

  11. Seven organic salts assembled from hydrogen-bonds of N-H⋯O, O-H⋯O, and C-H⋯O between acidic compounds and bis(benzimidazole)

    Science.gov (United States)

    Jin, Shouwen; Liu, Hui; Gao, Xin Jun; Lin, Zhanghui; Chen, Guqing; Wang, Daqi

    2014-10-01

    Seven crystalline organic acid-base adducts derived from 1,4-bis(benzimidazol-2-yl)butane/1,2-bis(2-benzimidazolyl)-1,2-ethanediol and acidic components (picric acid, 2-hydroxy-5-(phenyldiazenyl)benzoic acid, 5-sulfosalicylic acid, oxalic acid, and 1,5-naphthalenedisulfonic acid) were prepared and characterized by the single crystal X-ray diffraction analysis, IR, mp, and elemental analysis. All of the seven compounds are organic salts involving proton transfer from the acidic components to the bis(benzimidazole). For the salt 3, although a competing carboxyl group is present, it has been observed that only the proton at the -SO3H group is deprotonized rather than the H at the COOH. While in the salt 7, both COOH and SO3H were ionized to exhibit a valence number of -2. For 4, the oxalic acid existed as unionized molecule, monoanion, and dianion simultaneously in one compound. All supramolecular architectures of the organic salts 1-7 involve extensive intermolecular N-H⋯O, O-H⋯O, and C-H⋯O hydrogen bonds as well as other noncovalent interactions. Since the potentially hydrogen bonding phenol group is present in the ortho position to the carboxyl group in 2, 3, and 7, it forms the more facile intramolecular O-H⋯O hydrogen bonding. The role of weak and strong noncovalent interactions in the crystal packing is ascertained. These weak interactions combined, all the complexes displayed 3D framework structure.

  12. Acid Thunder: Acid Rain and Ancient Mesoamerica

    Science.gov (United States)

    Kahl, Jonathan D. W.; Berg, Craig A.

    2006-01-01

    Much of Mesoamerica's rich cultural heritage is slowly eroding because of acid rain. Just as water dissolves an Alka-Seltzer tablet, acid rain erodes the limestone surfaces of Mexican archaeological sites at a rate of about one-half millimeter per century (Bravo et al. 2003). A half-millimeter may not seem like much, but at this pace, a few…

  13. Acid Deposition Phenomena

    International Nuclear Information System (INIS)

    Acid deposition, commonly known as acid rain, occurs when emissions from the combustion of fossil fuels and other industrial processes undergo complex chemical reactions in the atmosphere and fall to the earth as wet deposition (rain, snow, cloud, fog) or dry deposition (dry particles, gas). Rain and snow are already naturally acidic, but are only considered problematic when less than a ph of 5.0 The main chemical precursors leading to acidic conditions are atmospheric concentrations of sulfur dioxide (SO2) and nitrogen oxides (NOx). When these two compounds react with water, oxygen, and sunlight in the atmosphere, the result is sulfuric (H2SO4) and nitric acids (HNO3), the primary agents of acid deposition which mainly produced from the combustion of fossil fuel and from petroleum refinery. Airborne chemicals can travel long distances from their sources and can therefore affect ecosystems over broad regional scales and in locations far from the sources of emissions. According to the concern of petroleum ministry with the environment and occupational health, in this paper we will discussed the acid deposition phenomena through the following: Types of acidic deposition and its components in the atmosphere Natural and man-made sources of compounds causing the acidic deposition. Chemical reactions causing the acidic deposition phenomenon in the atmosphere. Factors affecting level of acidic deposition in the atmosphere. Impact of acid deposition. Procedures for acidic deposition control in petroleum industry

  14. Omega-6 Fatty Acids

    Science.gov (United States)

    ... Some types are found in vegetable oils, including corn, evening primrose seed, safflower, and soybean oils. Other ... ACIDS are as follows:Improving mental development or growth in infants. Adding arachidonic acid (an omega-6 ...

  15. Zoledronic Acid Injection

    Science.gov (United States)

    ... experience a reaction during the first few days after you receive a dose of zoledronic acid injection. Symptoms ... symptoms may begin during the first 3 days after you receive a dose of zoledronic acid injection and ...

  16. Catalytic Synthesis Lactobionic Acid

    Directory of Open Access Journals (Sweden)

    V.G. Borodina

    2014-07-01

    Full Text Available Gold nanoparticles are obtained, characterized and deposited on the carrier. Conducted catalytic synthesis of lactobionic acid from lactose. Received lactobionic acid identify on the IR spectrum.

  17. Plasma amino acids

    Science.gov (United States)

    Plasma amino acids is a screening test done on infants that looks at the amounts of amino ... Laboratory error High or low amounts of individual plasma amino acids must be considered with other information. ...

  18. Omega-3 Fatty Acids

    Science.gov (United States)

    Omega-3 fatty acids are used together with lifestyle changes (diet, weight-loss, exercise) to reduce the amount ... the blood in people with very high triglycerides. Omega-3 fatty acids are in a class of medications ...

  19. 固相分散萃取-离子对液相色谱法测定花生酱中苯甲酸和山梨酸%Determination of benzoic acid and sorbic acid in peanut butter by solid-phase dispersive extraction coupled with High Performance Liquid Chromatography

    Institute of Scientific and Technical Information of China (English)

    周建科; 唐翠苓; 韩朝家; 林森

    2011-01-01

    采用固相分散萃取技术处理样品,无水硫酸钠为分散剂,反相离子对色谱法测定花生酱中苯甲酸和山梨酸.色谱条件:C18柱,甲醇-5 mmol/L四丁基溴化铵水溶液(40:60,V/V)为流动相,检测波长230 nm.在0.5~100 μg/mL范围内线性良好,相关系数均为0.9997.两组分平均回收率91.7%和77.4%,相对标准偏差2.02%和2.99%,检出限分别为0.90 μg/g和1.35 μg/g.

  20. The Acid Rain Reader.

    Science.gov (United States)

    Stubbs, Harriett S.; And Others

    A topic which is often not sufficiently dealt with in elementary school textbooks is acid rain. This student text is designed to supplement classroom materials on the topic. Discussed are: (1) "Rain"; (2) "Water Cycle"; (3) "Fossil Fuels"; (4) "Air Pollution"; (5) "Superstacks"; (6) "Acid/Neutral/Bases"; (7) "pH Scale"; (8) "Acid Rain"; (9)…

  1. Acid Rain Study Guide.

    Science.gov (United States)

    Hunger, Carolyn; And Others

    Acid rain is a complex, worldwide environmental problem. This study guide is intended to aid teachers of grades 4-12 to help their students understand what acid rain is, why it is a problem, and what possible solutions exist. The document contains specific sections on: (1) the various terms used in conjunction with acid rain (such as acid…

  2. Immunoglobulin and fatty acids

    DEFF Research Database (Denmark)

    2009-01-01

    The present invention relates to a composition comprising 0.1-10 w/w % immunoglobulin (Ig), 4-14 w/w % saturated fatty acids, 4-14 w/w % mono-unsaturated fatty acids and 0-5 w/w % poly-unsaturated fatty acids, wherein the weight percentages are based on the content of dry matter in the composition...

  3. Interaction of P-aminobenzoic acid with normal and sickel erythrocyte membrane: photoaffinity labelling of the binding sites

    Energy Technology Data Exchange (ETDEWEB)

    Premachandra, B.R.

    1986-03-05

    Electron microscopic studies revealed that P-Amino benzoic acid (PABA) could prevent eichinocytosis of red cells in vitro. Equilibrium binding studies with right side out membrane vesicles (ROV) revealed a similar number of binding sites (1.2-1.4 ..mu..mol/mg) and Kd (1.4-1.6 mM) values for both normal and sickle cell membranes. /sup 14/C-Azide analogue of PABA was synthesized as a photoaffinity label to probe its sites of interaction on the erythrocyte membranes. Competitive binding studies of PABA with its azide indicated that both the compounds share common binding sites on the membrane surface since a 20 fold excess of azide inhibited PABA binding in a linear fashion. The azide was covalently incorporated into the membrane components only upon irradiation (52-35% of the label found in the proteins and the rest in lipids). Electrophoretic analysis of photolabelled ROV revealed that the azide interacts chiefly with Band 3 protein. PABA inhibited both high and low affinity calcium (Ca) binding sites situated on either surface of the membrane in a non-competitive manner; however, Ca binding stimulated by Mg-ATP was not affected. Ca transport into inside out vesicles was inhibited by PABA; but it did not affect the calcium ATP-ase activity. The authors studies suggest that the mechanism of action of PABA is mediated by its interaction with Band 3 protein (anion channel), calcium channel and calcium binding sites of erythrocyte membrane.

  4. Effects of soluble epoxide hydrolase inhibitor on the expression of fatty acid synthase in peripheral blood mononuclear cell in patients with acute coronary syndrome

    Directory of Open Access Journals (Sweden)

    Zhao Xuan

    2013-01-01

    Full Text Available Abstract Background Researches have shown that soluble epoxide hydrolase inhibitors (sEHi can protect against the development of atherosclerosis. Simultaneously, emerging evidences have implicated the association between fatty acid synthase (FAS and acute coronary syndrome (ACS. We tested the hypothesis that sEHi could reduce the occurrence of ACS by regulating FAS. Methods Hospitalized ACS patients were selected as the ACS group (n = 65 while healthy normal subjects as the control group (n = 65. The blood levels of lipoproteins, fasting glucose, myocardial enzyme and high-sensitivity C-reactive protein (hs-CRP were measured within 24 hours after admission. The peripheral blood mononuclear cells (PBMCs were isolated and cultured. Trans-4-[4-(3-Adamantan-1-ylureidocyclohexyloxy] benzoic acid (t-AUCB, a kind of sEHi, was then added to cells in various concentrations (0, 10, 50, 100 μmol/L. The expression of FAS, interleukin-6 (IL-6 mRNA and protein was detected by real-time PCR or Western blot, respectively. Results (1 Compared with the control group, the serum concentration of hs-CRP in the ACS group was increased (PPPPP Conclusions sEH inhibition regulated FAS and inhibited inflammation in cultured PBMCs from ACS patients, a mechanism that might prevent rupture of atherosclerotic lesions and protect against development of ACS.

  5. Cleavage of nucleic acids

    Energy Technology Data Exchange (ETDEWEB)

    Prudent, James R. (Madison, WI); Hall, Jeff G. (Madison, WI); Lyamichev, Victor L. (Madison, WI); Brow, Mary Ann D. (Madison, WI); Dahlberg, James E. (Madison, WI)

    2007-12-11

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  6. Cleavage of nucleic acids

    Energy Technology Data Exchange (ETDEWEB)

    Prudent, James R. (Madison, WI); Hall, Jeff G. (Waunakee, WI); Lyamichev, Victor I. (Madison, WI); Brow; Mary Ann D. (Madison, WI); Dahlberg, James E. (Madison, WI)

    2010-11-09

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  7. Nucleic acid detection compositions

    Energy Technology Data Exchange (ETDEWEB)

    Prudent, James R. (Madison, WI); Hall, Jeff G. (Madison, WI); Lyamichev, Victor I. (Madison, WI); Brow, Mary Ann (Madison, WI); Dahlberg, James L. (Madison, WI)

    2008-08-05

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  8. Nucleic acid detection assays

    Energy Technology Data Exchange (ETDEWEB)

    Prudent, James R.; Hall, Jeff G.; Lyamichev, Victor I.; Brow, Mary Ann; Dahlberg, James E.

    2005-04-05

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  9. Cleavage of nucleic acids

    Science.gov (United States)

    Prudent, James R.; Hall, Jeff G.; Lyamichev, Victor I.; Brow, Mary Ann D.; Dahlberg, James E.

    2000-01-01

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof.

  10. Acidizing carbonate reservoirs with chlorocarboxylic acid salt solutions

    Energy Technology Data Exchange (ETDEWEB)

    Richardson, E.A.; Scheuerman, R.F.; Templeton, C.C.

    1978-10-31

    A carbonate reservoir is acidized slowly by injecting an aqueous solution of a chlorocarboxylic acid salt so that the rate of the acidization is limited to the rate at which an acid is formed by the hydrolyzing of the chlorocarboxylate ions. The rate at which a chlorocarboxylic acid salt hydrolyzes to form an acid provides the desired rate of acid-release. A more complete acid-base reaction by chloroacetic acid, as compared to formic, acetic, and proprionic, is due to its being a much stronger acid. The pKa of chloroacetic acid is 2.86, whereas that of formic acid is 3.75, and that of acetic acid is 4.75. The pKa of a solution of a weak acid is the pH exhibited when the concentration of undissociated acid equals the concentration of the acid anion. 14 claims.

  11. Nucleic acid detection kits

    Energy Technology Data Exchange (ETDEWEB)

    Hall, Jeff G.; Lyamichev, Victor I.; Mast, Andrea L.; Brow, Mary Ann; Kwiatkowski, Robert W.; Vavra, Stephanie H.

    2005-03-29

    The present invention relates to means for the detection and characterization of nucleic acid sequences, as well as variations in nucleic acid sequences. The present invention also relates to methods for forming a nucleic acid cleavage structure on a target sequence and cleaving the nucleic acid cleavage structure in a site-specific manner. The structure-specific nuclease activity of a variety of enzymes is used to cleave the target-dependent cleavage structure, thereby indicating the presence of specific nucleic acid sequences or specific variations thereof. The present invention further relates to methods and devices for the separation of nucleic acid molecules based on charge. The present invention also provides methods for the detection of non-target cleavage products via the formation of a complete and activated protein binding region. The invention further provides sensitive and specific methods for the detection of nucleic acid from various viruses in a sample.

  12. Acidic Ionic Liquids.

    Science.gov (United States)

    Amarasekara, Ananda S

    2016-05-25

    Ionic liquid with acidic properties is an important branch in the wide ionic liquid field and the aim of this article is to cover all aspects of these acidic ionic liquids, especially focusing on the developments in the last four years. The structural diversity and synthesis of acidic ionic liquids are discussed in the introduction sections of this review. In addition, an unambiguous classification system for various types of acidic ionic liquids is presented in the introduction. The physical properties including acidity, thermo-physical properties, ionic conductivity, spectroscopy, and computational studies on acidic ionic liquids are covered in the next sections. The final section provides a comprehensive review on applications of acidic ionic liquids in a wide array of fields including catalysis, CO2 fixation, ionogel, electrolyte, fuel-cell, membrane, biomass processing, biodiesel synthesis, desulfurization of gasoline/diesel, metal processing, and metal electrodeposition. PMID:27175515

  13. Microorganisms for producing organic acids

    Energy Technology Data Exchange (ETDEWEB)

    Pfleger, Brian Frederick; Begemann, Matthew Brett

    2014-09-30

    Organic acid-producing microorganisms and methods of using same. The organic acid-producing microorganisms comprise modifications that reduce or ablate AcsA activity or AcsA homolog activity. The modifications increase tolerance of the microorganisms to such organic acids as 3-hydroxypropionic acid, acrylic acid, propionic acid, lactic acid, and others. Further modifications to the microorganisms increase production of such organic acids as 3-hydroxypropionic acid, lactate, and others. Methods of producing such organic acids as 3-hydroxypropionic acid, lactate, and others with the modified microorganisms are provided. Methods of using acsA or homologs thereof as counter-selectable markers are also provided.

  14. Bile acid sequestrants

    DEFF Research Database (Denmark)

    Hansen, Morten; Sonne, David P; Knop, Filip K

    2014-01-01

    Bile acids are synthesized in the liver from cholesterol and have traditionally been recognized for their role in absorption of lipids and in cholesterol homeostasis. In recent years, however, bile acids have emerged as metabolic signaling molecules that are involved in the regulation of lipid and...... glucose metabolism, and possibly energy homeostasis, through activation of the bile acid receptors farnesoid X receptor (FXR) and TGR5. Bile acid sequestrants (BASs) constitute a class of drugs that bind bile acids in the intestine to form a nonabsorbable complex resulting in interruption of the...... enterohepatic circulation. This increases bile acid synthesis and consequently reduces serum low-density lipoprotein cholesterol. Also, BASs improve glycemic control in patients with type 2 diabetes. Despite a growing understanding of the impact of BASs on glucose metabolism, the mechanisms behind their glucose...

  15. Docosahexaenoic Acid Neurolipidomics

    OpenAIRE

    Niemoller, Tiffany D.; Bazan, Nicolas G.

    2009-01-01

    Mediator lipidomics is a field of study concerned with the characterization, structural elucidation and bioactivity of lipid derivatives generated by enzymatic activity. Omega-3 fatty acids have beneficial effects for vision, brain function, cardiovascular function, and immune-inflammatory responses. Docosahexaenoic acid [DHA; 22:6(n-3)], the most abundant essential omega-3 fatty acid in the human body, is selectively enriched and avidly retained in the central nervous system as an acyl chain...

  16. Fatty acids and epigenetics

    OpenAIRE

    Burdge, Graham C; Lillycrop, Karen A.

    2014-01-01

    Purpose of review The purpose of this review is to assess the findings of recent studies on the effects of fatty acids on epigenetic process and the role of epigenetics in regulating fatty acid metabolism. Recent findings The DNA methylation status of the Fads2 promoter was increased in the liver of the offspring of mice fed an ?-linolenic acid-enriched diet during pregnancy. In rats, increasing total maternal fat intake during pregnancy and lactation induced persistent hypermethyl...

  17. USGS Tracks Acid Rain

    Science.gov (United States)

    Gordon, John D.; Nilles, Mark A.; Schroder, LeRoy J.

    1995-01-01

    The U.S. Geological Survey (USGS) has been actively studying acid rain for the past 15 years. When scientists learned that acid rain could harm fish, fear of damage to our natural environment from acid rain concerned the American public. Research by USGS scientists and other groups began to show that the processes resulting in acid rain are very complex. Scientists were puzzled by the fact that in some cases it was difficult to demonstrate that the pollution from automobiles and factories was causing streams or lakes to become more acidic. Further experiments showed how the natural ability of many soils to neutralize acids would reduce the effects of acid rain in some locations--at least as long as the neutralizing ability lasted (Young, 1991). The USGS has played a key role in establishing and maintaining the only nationwide network of acid rain monitoring stations. This program is called the National Atmospheric Deposition Program/National Trends Network (NADP/NTN). Each week, at approximately 220 NADP/NTN sites across the country, rain and snow samples are collected for analysis. NADP/NTN site in Montana. The USGS supports about 72 of these sites. The information gained from monitoring the chemistry of our nation's rain and snow is important for testing the results of pollution control laws on acid rain.

  18. Azetidinic amino acids

    DEFF Research Database (Denmark)

    Bräuner-Osborne, Hans; Bunch, Lennart; Chopin, Nathalie;

    2005-01-01

    A set of ten azetidinic amino acids, that can be envisioned as C-4 alkyl substituted analogues of trans-2-carboxyazetidine-3-acetic acid (t-CAA) and/or conformationally constrained analogues of (R)- or (S)-glutamic acid (Glu) have been synthesized in a diastereo- and enantiomerically pure form from...... two diastereoisomers that were easily separated and converted in two steps into azetidinic amino acids. Azetidines 35-44 were characterized in binding studies on native ionotropic Glu receptors and in functional assays at cloned metabotropic receptors mGluR1, 2 and 4, representing group I, II and III...

  19. Halogenated fatty acids

    DEFF Research Database (Denmark)

    Mu, Huiling; Wesén, Clas; Sundin, Peter

    1997-01-01

    Chlorinated fatty acids have been found to be major contributors to organohalogen compounds in fish, bivalves, jellyfish, and lobster, and they have been indicated to contribute considerably to organohalogens in marine mammals. Brominated fatty acids have been found in marine sponges. Also....... However, a natural production of halogenated fatty acids is also possible. In this paper we summarize the present knowledge of the occurrence of halogenated fatty acids in lipids and suggested ways of their formation. In Part II (Trends Anal. Chem. 16 (1997) 274) we deal with methods of their...

  20. The acid rain primer

    International Nuclear Information System (INIS)

    Acid rain continues to be a major problem in North America, and particularly in eastern Canada. This report introduced the topic of acid rain and discussed its formation, measurement, sources, and geographic distribution. The major sources of sulphur dioxide in Canada are smelting metals, burning coal for electrical power generation, industrial emissions (e.g., pulp and paper, petroleum and aluminum industry), and oil and gas extraction and refining. In Canada, the largest source of nitrogen oxide is the burning of fossil fuels by the transportation sector. Problem areas for acid rain in Canada were identified. The effects of acid rain were examined on lakes and aquatic ecosystems, forests and soils, human-made structures and materials, human health, and on visibility. Acid rain policies and programs were then presented from a historical and current context. Ecosystem recovery from acid rain was discussed with reference to acid rain monitoring, atmospheric response to reductions in acid-causing emissions, and ecosystem recovery of lakes, forests, and aquatic ecosystems. Challenges affecting ecosystem recovery were also presented. These challenges include drought and dry weather, decrease of base cations in precipitation, release of sulphate previously stored in soil, mineralization and immobilization of sulphur/sulphates. Last, the report discussed what still needs to be done to improve the problem of acid rain as well as future concerns. These concerns include loss of base cations from forested watersheds and nitrogen deposition and saturation. 21 refs., 2 tabs., 17 figs

  1. THIN-LAYER SEPARATION OF CITRIC ACID CYCLE INTERMEDIATES, LACTIC ACID, AND THE AMINO ACID TAURINE

    Science.gov (United States)

    This paper describes a two-dimensional mixed-layer method for separating citric acid cycle intermediates, lactic acid and the amino acid taurine. The method cleanly separates all citric acid cycle intermediates tested, excepting citric acid and isocitric acid. The solvents are in...

  2. L-(-)-二对甲氧基苯甲酰酒石酸的合成%Synthesis of L-(-)-di(p-methoxy)tartaric acid

    Institute of Scientific and Technical Information of China (English)

    李志成; 吕峰平; 买文鹏; 杨玲玲

    2011-01-01

    Using p-methoxy benzoic acid, dichloro sulfoxideand L-tartaric acid as starting materials, L-(-)-di(p-methoxy) tartaric acid was synthesized via acyl chloride reaction,esterification.anhydridization and hydrolysis.The effect of reaction time,the amount of p-anisoyl chloride,hydrolysis system and hydrolysis time on the yield were studied.The optimum reaction conditions were as follows: n ( L-tartaric acid) ∶ n(o-toluoyl chloride) 1 ∶2.4 ,reaction time 4 h,taking acetone-water( V/V =1 ∶1) as hydrolysis system and hydrolysis time was 3 h.The total yield of the target product was 88.0%.%以对甲氧基苯甲酸、二氯亚砜、L-酒石为原料,经过生成酰氯、酯化、酐化和水解反应得到L-(-)-二对甲氧基苯甲酰酒石酸.研究了对甲氧基苯甲酰氯的用量、反应时间和酸酐水解体系、水解时间等因素对产率的影响.确定了最佳工艺条件.结果表明,L-酒石酸与对甲氧基苯甲酰氯的摩尔比为1:2.4,反应时间4 h及酸酐水解体系为丙酮-水(V/V=1:1),水解时间3 h,目标产物的产率为88.0%.

  3. Molecular Interaction of Pinic Acid with Sulfuric Acid

    DEFF Research Database (Denmark)

    Elm, Jonas; Kurten, Theo; Bilde, Merete;

    2014-01-01

    We investigate the molecular interactions between the semivolatile α-pinene oxidation product pinic acid and sulfuric acid using computational methods. The stepwise Gibbs free energies of formation have been calculated utilizing the M06-2X functional, and the stability of the clusters is evaluated...... from the corresponding ΔG values. The first two additions of sulfuric acid to pinic acid are found to be favorable with ΔG values of -9.06 and -10.41 kcal/mol. Addition of a third sulfuric acid molecule is less favorable and leads to a structural rearrangement forming a bridged sulfuric acid-pinic acid...... without the further possibility for attachment of either sulfuric acid or pinic acid. This suggests that pinic acid cannot be a key species in the first steps in nucleation, but the favorable interactions between sulfuric acid and pinic acid imply that pinic acid can contribute to the subsequent growth of...

  4. Amino Acid Crossword Puzzle

    Science.gov (United States)

    Sims, Paul A.

    2011-01-01

    Learning the 20 standard amino acids is an essential component of an introductory course in biochemistry. Later in the course, the students study metabolism and learn about various catabolic and anabolic pathways involving amino acids. Learning new material or concepts often is easier if one can connect the new material to what one already knows;…

  5. Science of acid rain

    International Nuclear Information System (INIS)

    In this report, the mechanism of forming acid rain in the atmosphere and the process of its fall to ground, the mechanism of withering forests by acid substances, and the process of acidifying lakes and marshes are explained. Moreover, the monitoring networks for acid rain and the countermeasures are described. Acid rain is the pollution phenomena related to all environment, that is, atmosphere, hydrosphere, soilsphere, biosphere and so on, and it is a local environmental pollution problem, and at the same time, an international, global environmental pollution problem. In Japan, acid rain has fallen, but the acidification of lakes and marshes is not clear, and the damage to forests is on small scale. However in East Asia region, the release of sulfur oxides and nitrogen oxides is much, and the increase of the effects of acid rain is expected. It is necessary to devise the measures for preventing the damage due to acid rain. The global monitoring networks of World Meteorological Organization and United Nations Environment Program, and those in Europe, USA and Japan are described. The monitoring of acid rain in Japan is behind that in Europe and USA. (K.I.)

  6. Peptide Nucleic Acid Synthons

    DEFF Research Database (Denmark)

    2004-01-01

    A novel class of compounds, known as peptide nucleic acids, bind complementary ssDNA and RNA strands more strongly than a corresponding DNA. The peptide nucleic acids generally comprise ligands such as naturally occurring DNA bases attached to a peptide backbone through a suitable linker....

  7. Peptide Nucleic Acids

    DEFF Research Database (Denmark)

    2004-01-01

    A novel class of compounds known as peptide nucleic acids, bind complementary DNA and RNA strands, and generally do so more strongly than the corresponding DNA or RNA strands while exhibiting increased sequence specificity and solubility. The peptide nucleic acids comprise ligands selected from a...

  8. Locked nucleic acid

    DEFF Research Database (Denmark)

    Jepsen, Jan Stenvang; Sørensen, Mads D; Wengel, Jesper;

    2004-01-01

    Locked nucleic acid (LNA) is a class of nucleic acid analogs possessing very high affinity and excellent specificity toward complementary DNA and RNA, and LNA oligonucleotides have been applied as antisense molecules both in vitro and in vivo. In this review, we briefly describe the basic...

  9. Peptide Nucleic Acids

    DEFF Research Database (Denmark)

    2003-01-01

    A novel class of compounds, known as peptide nucleic acids, bind complementary ssDNA and RNA strands more strongly than a corresponding DNA. The peptide nucleic acids generally comprise ligands such as naturally occurring DNA bases attached to a peptide backbone through a suitable linker....

  10. Peptide Nucleic Acids

    DEFF Research Database (Denmark)

    1998-01-01

    A novel class of compounds, known as peptide nucleic acids, bind complementary ssDNA and RNA strands more strongly than a corresponding DNA. The peptide nucleic acids generally comprise ligands such as naturally occurring DNA bases attached to a peptide backbone through a suitable linker....

  11. Peptide Nucleic Acids (PNA)

    DEFF Research Database (Denmark)

    2002-01-01

    A novel class of compounds, known as peptide nucleic acids, bind complementary ssDNA and RNA strands more strongly than a corresponding DNA. The peptide nucleic acids generally comprise ligands such as naturally occurring DNA bases attached to a peptide backbone through a suitable linker....

  12. Fatty Acid Biosynthesis IX

    DEFF Research Database (Denmark)

    Carey, E. M.; Hansen, Heinz Johs. Max; Dils, R.

    1972-01-01

    # 1. I. [I-14C]Acetate was covalently bound to rabbit mammary gland fatty acid synthetase by enzymic transacylation from [I-14C]acetyl-CoA. Per mole of enzyme 2 moles of acetate were bound to thiol groups and up to I mole of acetate was bound to non-thiol groups. # 2. 2. The acetyl-fatty acid...

  13. Characterization of acid tars

    International Nuclear Information System (INIS)

    Acid tars from the processing of petroleum and petrochemicals using sulfuric acid were characterized by gas chromatography/mass spectrometry (GC/MS), inductively coupled plasma/optical emission spectrometry (ICP/OES), differential scanning calorimetry (DSC), Fourier transform infrared (FTIR) spectrometry, and scanning electron microscopy/energy dispersive X-ray (SEM/EDX) micro-analysis. Leaching of contaminants from the acid tars in 48 h batch tests with distilled water at a liquid-to-solid ratio 10:1 was also studied. GC/MS results show that the samples contained aliphatic hydrocarbons, cyclic hydrocarbons, up to 12 of the 16 USEPA priority polycyclic aromatic hydrocarbons (PAHs), and numerous other organic groups, including organic acids (sulfonic acids, carboxylic acids and aromatic acids), phenyl, nitrile, amide, furans, thiophenes, pyrroles, and phthalates, many of which are toxic. Metals analysis shows that Pb was present in significant concentration. DSC results show different transition peaks in the studied samples, demonstrating their complexity and variability. FTIR analysis further confirmed the presence of the organic groups detected by GC/MS. The SEM/EDX micro-analysis results provided insight on the surface characteristics of the samples and show that contaminants distribution was heterogeneous. The results provide useful data on the composition, complexity, and variability of acid tars; information which hitherto have been scarce in public domain.

  14. Halogenated fatty acids

    DEFF Research Database (Denmark)

    Mu, Huiling; Wesén, Clas; Sundin, Peter

    1997-01-01

    . However, a natural production of halogenated fatty acids is also possible. In this paper we summarize the present knowledge of the occurrence of halogenated fatty acids in lipids and suggested ways of their formation. In Part II (Trends Anal. Chem. 16 (1997) 274) we deal with methods of their...

  15. Canadian acid rain policy

    International Nuclear Information System (INIS)

    On March 13 of 1991, the Prime Minister of Canada, Brian Mulroney and the President of the United States of America, George Bush, signed an Agreement on Air Quality. This agreement enshrines Principle 21 of the 1972 Stockholm Declaration which states that countries are to ensure that activities within their jurisdiction do not cause damage to the environment of another country. This agreement also includes provisions for controlling acid rain. The Agreement on Air Quality followed years of discussion between the two countries and is a significant milestone in the history of Canadian acid rain policy. This paper begins by describing Canadian acid rain policy and its evolution. The paper also outlines the Canada-United States Air Quality Agreement and the effect of the acid rain provisions on deposition in Canada. Finally, it considers the future work that must be undertaken to further resolve the acid rain problem. 8 refs., 5 figs., 1 tab

  16. Synthesis of aminoaldonic acids

    DEFF Research Database (Denmark)

    Jørgensen, Christel Thea

    With the aim of synthesising aminoaldonic acids, two 2-acetamido-2-deoxyaldonolactones with D-galacto (6) and D-arabino (11) configuration were prepared from acetylated sugar formazans in analogy with a known procedure. Empolying the same procedure to acetylated sugar phenylhydrazones gave mixtures...... of 2,5-anhydrides and not the expected 2-acetamido-2-deoxy aldose phenylhydrazones. The acetylated phenylhydrazones were found to eliminate acetic acid when heated in aqueous ethanol and 1-phenylazoalkenes could be isolated by crystallisation. By this method the 17, 20, 23 and 25 were prepared from...... aziridino amides 43 and 51 were reductively cleaved with hydrazine to give 3-amino-2,3-dideoxyhexonhydrazides 83 and 85, which were easily converted into the corresponding lactone 84 and acid 86. The aziridine ring of 43 and 51 was also opened with acetic acid to give the 3-amino-3-deoxyhexonic acids 79 and...

  17. Fusidic acid in dermatology

    DEFF Research Database (Denmark)

    Schöfer, Helmut; Simonsen, Lene

    1995-01-01

    Studies on the clinical efficacy of fusidic acid in skin and soft-tissue infections (SSTIs), notably those due to Staphylococcus aureus, are reviewed. Oral fusidic acid (tablets dosed at 250 mg twice daily, or a suspension for paediatric use at 20 mg/kg/day given as two daily doses) has shown good...... efficacy and tolerability. Similarly, plain fusidic acid cream or ointment used two or three times daily in SSTIs such as impetigo are clinically and bacteriologically effective, with minimal adverse events. Combination formulations of fusidic acid with 1% hydrocortisone or 0.1% betamethasone achieve...... excellent results in infected eczema by addressing both inflammation and infection. A new lipid-rich combination formulation provides an extra moisturizing effect. Development of resistance to fusidic acid has remained generally low or short-lived and can be minimized by restricting therapy to no more than...

  18. Study on the Retention Behavior of Aromatic Carboxylic and Sulfonic acid on a New Anion Exchange Column

    Institute of Scientific and Technical Information of China (English)

    SHI,Ya-Li; CAI,Ya-Qi; MOU,Shi-Fen

    2008-01-01

    Ion chromatography (IC) has gradually developed into a preferred method for the determination of inorganic anions. And in recent years some low molecular aliphatic acid can be also separated in the ion exchange column with the development of stationary phase. But for the determination of aromatic ionic compounds there are some problems. The aromatic anions show enhanced retention due to interaction with the π electrons of the aromatic backbone. Although the addition of an organic modifier can alleviate the difficulty, it is not the ultimate solution.IonPac AS20 column was developed using a unique polymer bonding technology and its substrate coating is aliphatic backbone. The polymer is completely free of any π electron-containing substituents in the AS20 column. In this paper, the retention behavior of aromatic carboxylic and sulfonic acid on two hydroxide-selective columns,IonPac AS11-HC, AS16, and the new column AS20 was also studied. The result showed that the retentions of ten compounds on three columns were different with each other because of their different column characteristics.Among them 4-chlorobenzene sulfonic acid, 3,5-dihydric benzoic acid and salicylic acid obviously exhibited the weakest retention on the IonPac AS20. It was showed that π-π bond function between anion and stationary phases was weakened in AS20 column because its polymer was completely free of any π electron-containing substituents.So in this paper the AS20 was selected as an analytical column to separate ten aromatic ionic compounds, fumaric acid with conjugate bond included. The retention behavior, separation of the ten compounds and effect of temperature on their retention in the anion-exchange column AS20 (2 mm) were studied. The result showed that those compounds could be separated with each other when running in gradient program and the organic modifier was unnecessary during the separation. So it is showed that AS20 column can be used as a separating column because its

  19. Sulfuric Acid on Europa

    Science.gov (United States)

    1999-01-01

    Frozen sulfuric acid on Jupiter's moon Europa is depicted in this image produced from data gathered by NASA's Galileo spacecraft. The brightest areas, where the yellow is most intense, represent regions of high frozen sulfuric acid concentration. Sulfuric acid is found in battery acid and in Earth's acid rain. This image is based on data gathered by Galileo's near infrared mapping spectrometer.Europa's leading hemisphere is toward the bottom right, and there are enhanced concentrations of sulfuric acid in the trailing side of Europa (the upper left side of the image). This is the face of Europa that is struck by sulfur ions coming from Jupiter's innermost moon, Io. The long, narrow features that crisscross Europa also show sulfuric acid that may be from sulfurous material extruded in cracks. Galileo, launched in 1989, has been orbiting Jupiter and its moons since December 1995. JPL manages the Galileo mission for NASA's Office of Space Science, Washington DC. JPL is a division of the California Institute of Technology, Pasadena, CA.

  20. Degradation of Acid Orange 7 Dye in Two Hybrid Plasma Discharge Reactors

    Science.gov (United States)

    Shen, Yongjun; Lei, Lecheng; Zhang, Xingwang; Ding, Jiandong

    2014-11-01

    To get an optimized pulsed electrical plasma discharge reactor and to increase the energy utilization efficiency in the removal of pollutants, two hybrid plasma discharge reactors were designed and optimized. The reactors were compared via the discharge characteristics, energy transfer efficiency, the yields of the active species and the energy utilization in dye wastewater degradation. The results showed that under the same AC input power, the characteristics of the discharge waveform of the point-to-plate reactor were better. Under the same AC input power, the two reactors both had almost the same peak voltage of 22 kV. The peak current of the point-to-plate reactor was 146 A, while that of the wire-to-cylinder reactor was only 48.8 A. The peak powers of the point-to-plate reactor and the wire-to-cylinder reactor were 1.38 MW and 1.01 MW, respectively. The energy per pulse of the point-to-plate reactor was 0.2221 J, which was about 29.4% higher than that of the wire-to-cylinder reactor (0.1716 J). To remove 50% Acid Orange 7 (AO7), the energy utilizations of the point-to-plate reactor and the wire-to-cylinder reactor were 1.02 × 10-9 mol/L and 0.61 × 10-9 mol/L, respectively. In the point-to-plate reactor, the concentration of hydrogen peroxide in pure water was 3.6 mmol/L after 40 min of discharge, which was higher than that of the wire-to-cylinder reactor (2.5 mmol/L). The concentration of liquid phase ozone in the point-to-plate reactor (5.7 × 10-2 mmol/L) was about 26.7% higher than that in the wire-to-cylinder reactor (4.5 × 10-2 mmol/L). The analysis results of the variance showed that the type of reactor and reaction time had significant impacts on the yields of the hydrogen peroxide and ozone. The main degradation intermediates of AO7 identified by gas chromatography and mass spectrometry (GCMS) were acetic acid, maleic anhydride, p-benzoquinone, phenol, benzoic acid, phthalic anhydride, coumarin and 2-naphthol. Proposed degradation pathways were

  1. Optical sensing of 3-phenoxybenzoic acid as a pyrethroid pesticides exposure marker by surface imprinting polymer capped on manganese-doped zinc sulfide quantum dots

    Directory of Open Access Journals (Sweden)

    Vivek Pandey

    2015-09-01

    Full Text Available The present communication deals with the synthesis of luminescent Mn-doped ZnS quantum dots (QDs anchored to surface imprinted polymer for the optical sensing of 3-phenoxy benzoic acid (3-PBA in urine samples. The combination of sensing and surface functionalization not only improves the selectivity of the method, but also increases the optosensing ability of the material for non-phosphorescent substances. The developed material was utilized for the selective and sensitive detection of 3-PBA in urine samples. The proposed method shows good linearity with a regression coefficient (R2 of 0.98. The limit of detection was found to be 0.117 μM. The method has an acceptable precision and accuracy which are found to be less than 8% and 80–90% respectively at three different concentrations. The quenching constant of quantum dot-molecular imprinted polymer was found to be 3.4 times higher to that of the quantum dot-non imprinted polymer (QD-NIP as calculated by Stern–Volmer equation. The sensing method developed has shown immense utility to detect 3-PBA in complex biological samples like urine.

  2. 蝉翼藤茎中有机酸成分的研究%Organic Acid Constituents from the Stem of Securidaca inappendiculata Hassk.

    Institute of Scientific and Technical Information of China (English)

    杨学东; 徐丽珍; 杨世林

    2001-01-01

    Objective:To investigate the organic acid constituents from the stem of Securidaca inappendiculata.Method:Column chromatographic techniques were used to isolate and purify the constituents.The structures were elucidated by spectra analysis.Result:Five compounds were isolated and identified as ferulic acid(Ⅰ), cinnamic acid(Ⅱ), palmic acid(Ⅲ), salicylic acid(Ⅳ) and benzoic acid(Ⅴ).Conclusion:Compounds Ⅰ~Ⅳ were isolated from the plant for the first time.%目的:对蝉翼藤茎中有机酸成分进行化学研究。方法:各种色谱技术进行分离纯化,理化性质和光谱分析进行结构鉴定。结果:分离得到5个有机酸类化合物,分别鉴定为阿魏酸(Ⅰ)、肉桂酸(Ⅱ)、棕榈酸(Ⅲ)、水杨酸(Ⅳ) 和苯甲酸(Ⅴ)。结论:化合物Ⅰ~Ⅳ为首次从该属植物中分离得到。

  3. Difficult Decisions: Acid Rain.

    Science.gov (United States)

    Miller, John A.; Slesnick, Irwin L.

    1989-01-01

    Discusses some of the contributing factors and chemical reactions involved in the production of acid rain, its effects, and political issues pertaining to who should pay for the clean up. Supplies questions for consideration and discussion. (RT)

  4. Folic acid in diet

    Science.gov (United States)

    ... green leafy vegetables Dried beans and peas (legumes) Citrus fruits and juices Fortified means that vitamins have ... A.D.A.M. Editorial team. Related MedlinePlus Health Topics Folic Acid Browse the Encyclopedia A.D. ...

  5. Citric acid urine test

    Science.gov (United States)

    ... usually done while you are on a normal diet. Ask your provider for more information. ... acidosis and a tendency to form calcium kidney stones. The ... acid levels: A high carbohydrate diet Estrogen therapy Vitamin D

  6. Stomach acid test

    Science.gov (United States)

    Gastric acid secretion test ... The test is done after you have not eaten for a while so fluid is all that remains in ... injected into your body. This is done to test the ability of the cells in the stomach ...

  7. Azelaic Acid Topical

    Science.gov (United States)

    ... pores and by decreasing production of keratin, a natural substance that can lead to the development of ... acid controls acne and rosacea but does not cure these conditions. It may take 4 weeks or ...

  8. Acid rain: An overview

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — Summary of the effects of acid rain and related processes, sources, issues, corrective actions, research, current law, potential solutions, political solutions,...

  9. Ethylenediaminetetraacetic acid in endodontics

    OpenAIRE

    Mohammadi, Zahed; Shalavi, Sousan; Jafarzadeh, Hamid

    2013-01-01

    Ethylenediaminetetraacetic acid (EDTA) is a chelating agent can bind to metals via four carboxylate and two amine groups. It is a polyamino carboxylic acid and a colorless, water-soluble solid, which is widely used to dissolve lime scale. It is produced as several salts, notably disodium EDTA and calcium disodium EDTA. EDTA reacts with the calcium ions in dentine and forms soluble calcium chelates. A review of the literature and a discussion of the different indications and considerations for...

  10. Utilization of acid tars

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, A.F.; Denisova, T.L.; Aminov, A.N.

    1987-01-01

    Freshly produced acid tar (FPAT), obtained as refinery waste in treating petroleum oils with sulfuric acid and oleum, contains 80% or more sulfuric acid. Of such tars, pond acid tars, which contain up to 80% neutral petroleum products and sulfonated resins, are more stable, and have found applications in the production of binders for paving materials. In this article the authors are presenting results obtained in a study of the composition and reactivity of FPAT and its stability in storage in blends with asphalts obtained in deasphalting operations, and the possibility of using the FPAT in road construction has been examined. In this work, wastes were used which were obtained in treating the oils T-750, KhF-12, I-8A, and MS-14. Data on the change in group chemical composition of FPAT are shown, and the acidity, viscosity, needle penetration, and softening point of acid tars obtained from different grades of oils are plotted as functions of the storage time. It is also shown that the fresh and hardened FPATs differ in their solubilities in various solvents.

  11. Fatty Acid Biosynthesis IX

    DEFF Research Database (Denmark)

    Carey, E. M.; Hansen, Heinz Johs. Max; Dils, R.

    1972-01-01

    # 1. I. [I-14C]Acetate was covalently bound to rabbit mammary gland fatty acid synthetase by enzymic transacylation from [I-14C]acetyl-CoA. Per mole of enzyme 2 moles of acetate were bound to thiol groups and up to I mole of acetate was bound to non-thiol groups. # 2. 2. The acetyl-fatty acid...... synthetase complex was isolated free from acetyl-CoA. It was rapidly hydrolysed at 30°C, but hydrolysis was greatly diminished at o°C and triacetic lactone synthesis occurred. In the presence of malonyl-CoA and NADPH, all the acetate bound to fatty acid synthetase was incorporated into long-chain fatty acids....... Hydrolysis of bound acetate and incorporation of bound acetate into fatty acids were inhibited to the same extent by guanidine hydrochloride. # 3. 3. Acetate was also covalently bound to fatty acid synthetase by chemical acetylation with [I-14C]acetic anhydride in the absence of CoASH. A total of 60 moles of...

  12. Neutron Nucleic Acid Crystallography.

    Science.gov (United States)

    Chatake, Toshiyuki

    2016-01-01

    The hydration shells surrounding nucleic acids and hydrogen-bonding networks involving water molecules and nucleic acids are essential interactions for the structural stability and function of nucleic acids. Water molecules in the hydration shells influence various conformations of DNA and RNA by specific hydrogen-bonding networks, which often contribute to the chemical reactivity and molecular recognition of nucleic acids. However, X-ray crystallography could not provide a complete description of structural information with respect to hydrogen bonds. Indeed, X-ray crystallography is a powerful tool for determining the locations of water molecules, i.e., the location of the oxygen atom of H2O; however, it is very difficult to determine the orientation of the water molecules, i.e., the orientation of the two hydrogen atoms of H2O, because X-ray scattering from the hydrogen atom is very small.Neutron crystallography is a specialized tool for determining the positions of hydrogen atoms. Neutrons are not diffracted by electrons, but are diffracted by atomic nuclei; accordingly, neutron scattering lengths of hydrogen and its isotopes are comparable to those of non-hydrogen atoms. Therefore, neutron crystallography can determine both of the locations and orientations of water molecules. This chapter describes the current status of neutron nucleic acid crystallographic research as well as the basic principles of neutron diffraction experiments performed on nucleic acid crystals: materials, crystallization, diffraction experiments, and structure determination. PMID:26227050

  13. Method for isolating nucleic acids

    Science.gov (United States)

    Hurt, Jr., Richard Ashley; Elias, Dwayne A.

    2015-09-29

    The current disclosure provides methods and kits for isolating nucleic acid from an environmental sample. The current methods and compositions further provide methods for isolating nucleic acids by reducing adsorption of nucleic acids by charged ions and particles within an environmental sample. The methods of the current disclosure provide methods for isolating nucleic acids by releasing adsorbed nucleic acids from charged particles during the nucleic acid isolation process. The current disclosure facilitates the isolation of nucleic acids of sufficient quality and quantity to enable one of ordinary skill in the art to utilize or analyze the isolated nucleic acids for a wide variety of applications including, sequencing or species population analysis.

  14. Acidification and Acid Rain

    Science.gov (United States)

    Norton, S. A.; Veselã½, J.

    2003-12-01

    Air pollution by acids has been known as a problem for centuries (Ducros, 1845; Smith, 1872; Camuffo, 1992; Brimblecombe, 1992). Only in the mid-1900s did it become clear that it was a problem for more than just industrially developed areas, and that precipitation quality can affect aquatic resources ( Gorham, 1955). The last three decades of the twentieth century saw tremendous progress in the documentation of the chemistry of the atmosphere, precipitation, and the systems impacted by acid atmospheric deposition. Chronic acidification of ecosystems results in chemical changes to soil and to surface waters and groundwater as a result of reduction of base cation supply or an increase in acid (H+) supply, or both. The most fundamental changes during chronic acidification are an increase in exchangeable H+ or Al3+ (aluminum) in soils, an increase in H+ activity (˜concentration) in water in contact with soil, and a decrease in alkalinity in waters draining watersheds. Water draining from the soil is acidified and has a lower pH (=-log [H+]). As systems acidify, their biotic community changes.Acidic surface waters occur in many parts of the world as a consequence of natural processes and also due to atmospheric deposition of strong acid (e.g., Canada, Jeffries et al. (1986); the United Kingdom, Evans and Monteith (2001); Sweden, Swedish Environmental Protection Board (1986); Finland, Forsius et al. (1990); Norway, Henriksen et al. (1988a); and the United States (USA), Brakke et al. (1988)). Concern over acidification in the temperate regions of the northern hemisphere has been driven by the potential for accelerating natural acidification by pollution of the atmosphere with acidic or acidifying compounds. Atmospheric pollution ( Figure 1) has resulted in an increased flux of acid to and through ecosystems. Depending on the ability of an ecosystem to neutralize the increased flux of acidity, acidification may increase only imperceptibly or be accelerated at a rate that

  15. Biodegradation of phthalic acid esters by a newly isolated Mycobacterium sp. YC-RL4 and the bioprocess with environmental samples.

    Science.gov (United States)

    Ren, Lei; Jia, Yang; Ruth, Nahurira; Qiao, Cheng; Wang, Junhuan; Zhao, Baisuo; Yan, Yanchun

    2016-08-01

    Bacterial strain YC-RL4, capable of utilizing phthalic acid esters (PAEs) as the sole carbon source for growth, was isolated from petroleum-contaminated soil. Strain YC-RL4 was identified as Mycobacterium sp. by 16S rRNA gene analysis and Biolog tests. Mycobacterium sp. YC-RL4 could rapidly degrade dibutyl phthalate (DBP), diethyl phthalate (DEP), dimethyl phthalate (DMP), dicyclohexyl phthalate (DCHP), and di-(2-ethylhexyl) phthalate (DEHP) under both individual and mixed conditions, and all the degradation rates were above 85.0 % within 5 days. The effects of environmental factors which might affect the degrading process were optimized as 30 °C and pH 8.0. The DEHP metabolites were detected by HPLC-MS and the degradation pathway was deduced tentatively. DEHP was transformed into phthalic acid (PA) via mono (2-ethylhexyl) phthalate (MEHP) and PA was further utilized for growth via benzoic acid (BA) degradation pathway. Cell surface hydrophobicity (CSH) assays illuminated that the strain YC-RL4 was of higher hydrophobicity while grown on DEHP and CSH increased with the higher DEHP concentration. The degradation rates of DEHP by strain YC-RL4 in different environmental samples was around 62.0 to 83.3 % and strain YC-RL4 survived well in the soil sample. These results suggested that the strain YC-RL4 could be used as a potential and efficient PAE degrader for the bioremediation of contaminated sites. PMID:27178296

  16. Analysis of nine food additives in red wine by ion-suppression reversed-phase high-performance liquid chromatography using trifluoroacetic acid and ammonium acetate as ion-suppressors.

    Science.gov (United States)

    Zhao, Yong-Gang; Chen, Xiao-Hong; Yao, Shan-Shan; Pan, Sheng-Dong; Li, Xiao-Ping; Jin, Mi-Cong

    2012-01-01

    A reversed-phase high-performance liquid chromatography (RP-HPLC) method was developed for the simultaneous determination of nine food additives, i.e., acesulfame, saccharin, caffeine, aspartame, benzoic acid, sorbic acid, stevioside, dehydroacetic acid and neotame in red wine. The effects of ion-suppressors, i.e., trifluoroacetic acid (TFA) and ammonium acetate (AmAc) on retention behavior of nine food additives in RP-HPLC separation were discussed in detail. The relationships between retention factors of solutes and volume percent of ion-suppressors in the mobile-phase systems of acetonitrile-TFA aqueous solution and acetonitrile-TFA-AmAc aqueous solution were quantitatively established, respectively. The results showed that the ion suppressors had not only an ion suppression effect, but also an organic modification effect on the acidic analytes. The baseline separation of nine food additives was completed by a gradient elution with acetonitrile-TFA(0.01%, v/v)-AmAc(2.5 mmol L(-1)) aqueous solution as the mobile phase. The recoveries were between 80.2 - 99.5% for all analytes with RSDs in the range of 1.5 - 8.9%. The linearities were in the range of 0.2 - 100.0 mg L(-1) with determination coefficients (r(2)) higher than 0.9991 for all analytes. The limits of quantification (LOQs) were between 0.53 - 0.99 mg L(-1). The applicability of the proposed method to detect and quantify food additives has been demonstrated in the analysis of 30 real samples. PMID:23059992

  17. Acid Rain, pH & Acidity: A Common Misinterpretation.

    Science.gov (United States)

    Clark, David B.; Thompson, Ronald E.

    1989-01-01

    Illustrates the basis for misleading statements about the relationship between pH and acid content in acid rain. Explains why pH cannot be used as a measure of acidity for rain or any other solution. Suggests that teachers present acidity and pH as two separate and distinct concepts. (RT)

  18. Amino acids in the sedimentary humic and fulvic acids

    Digital Repository Service at National Institute of Oceanography (India)

    Sardessai, S.

    Humic and fulvic acids isolated from a few sediment samples from Arabian Sea and Bay of Bengal were analysed for total hydrolysable amino acids concentration and their composition. The amono acids content of fulvic acids was higher than in the humic...

  19. Synthesis and anticonvulsant activity of novel bicyclic acidic amino acids

    DEFF Research Database (Denmark)

    Conti, Paola; De Amici, Marco; Joppolo Di Ventimiglia, Samuele;

    2003-01-01

    Bicyclic acidic amino acids (+/-)-6 and (+/-)-7, which are conformationally constrained homologues of glutamic acid, were prepared via a strategy based on a 1,3-dipolar cycloaddition. The new amino acids were tested toward ionotropic and metabotropic glutamate receptor subtypes; both of them...

  20. EFFECT OF ACIDITY ON ACID-SENSITIVE UV CURING SYSTEM

    Institute of Scientific and Technical Information of China (English)

    Qi-dao Chen; Bing Wu; Xiao-yin Hong

    1999-01-01

    By using diphenyliodonium salts with different counterions as photo acid generators (PAGs), the effect of acidity on ring-opening polymerization of epoxy monomers and polycondensation of polyol with hexamethoxymethyl melamine (HMMM) was studied. The result shows that the rate of ring-opening polymerization is evidently dependent on the acidity of the acid and strong photo-generated acid is required.However, there is a leveling effect in the polycondensation system; if the photo-generated acid is stronger than protonated HMMM, the acidity does not obviously affect the polycondensation rate.

  1. Determination of Sialic Acids by Acidic Ninhydrin Reaction

    Directory of Open Access Journals (Sweden)

    Yao,Kenzabroh

    1987-12-01

    Full Text Available A new acidic ninhydrin method for determining free sialic acids is described. The method is based on the reaction of sialic acids with Gaitonde's acid ninhydrin reagent 2 which yields a stable color with an absorption maximum at 470 nm. The standard curve is linear in the range of 5 to 500 nmol of N-acetylneuraminic acid per 0.9 ml of reaction mixture. The reaction was specific only for sialic acids among the various sugars and sugar derivatives examined. Some interference of this method by cysteine, cystine and tryptophan was noted, although their absorption maxima differed from that of sialic acids. The interference by these amino acids was eliminated with the use of a small column of cation-exchange resin. The acidic ninhydrin method provides a simple and rapid method for the determination of free sialic acids in biological materials.

  2. Chemistry and electrochemistry in trifluoroacetic acid. Comparison with acetic acid

    International Nuclear Information System (INIS)

    As the trifluoroacetic acid is, with the acetic acid, one of most often used carboxylic acids as solvent, notably in organic chemistry, this research thesis addresses some relatively simple complexing and redox reactions to highlight the peculiar feature of this acid, and to explain its very much different behaviour with respect to acetic acid. The author develops the notion of acidity level in solvents of low dielectric constant. The second part addresses a specific solvent: BF3(CH3COOH)2. The boron trifluoride strengthens the acidity of acetic acid and modifies its chemical and physical-chemical properties. In the third part, the author compares solvent properties of CF3COOH and CH3COOH. Noticed differences explain why the trifluoroacetic acid is a more interesting reaction environment than acetic acid for reactions such as electrophilic substitutions or protein solubilisation

  3. Fatty Acid Desaturases, Polyunsaturated Fatty Acid Regulation, and Biotechnological Advances

    OpenAIRE

    Je Min Lee; Hyungjae Lee; SeokBeom Kang; Woo Jung Park

    2016-01-01

    Polyunsaturated fatty acids (PUFAs) are considered to be critical nutrients to regulate human health and development, and numerous fatty acid desaturases play key roles in synthesizing PUFAs. Given the lack of delta-12 and -15 desaturases and the low levels of conversion to PUFAs, humans must consume some omega-3 and omega-6 fatty acids in their diet. Many studies on fatty acid desaturases as well as PUFAs have shown that fatty acid desaturase genes are closely related to different human phys...

  4. Domoic Acid Epileptic Disease

    Directory of Open Access Journals (Sweden)

    John S. Ramsdell

    2014-03-01

    Full Text Available Domoic acid epileptic disease is characterized by spontaneous recurrent seizures weeks to months after domoic acid exposure. The potential for this disease was first recognized in a human case study of temporal lobe epilepsy after the 1987 amnesic shellfish-poisoning event in Quebec, and was characterized as a chronic epileptic syndrome in California sea lions through investigation of a series of domoic acid poisoning cases between 1998 and 2006. The sea lion study provided a breadth of insight into clinical presentations, unusual behaviors, brain pathology, and epidemiology. A rat model that replicates key observations of the chronic epileptic syndrome in sea lions has been applied to identify the progression of the epileptic disease state, its relationship to behavioral manifestations, and to define the neural systems involved in these behavioral disorders. Here, we present the concept of domoic acid epileptic disease as a delayed manifestation of domoic acid poisoning and review the state of knowledge for this disease state in affected humans and sea lions. We discuss causative mechanisms and neural underpinnings of disease maturation revealed by the rat model to present the concept for olfactory origin of an epileptic disease; triggered in dendodendritic synapases of the olfactory bulb and maturing in the olfactory cortex. We conclude with updated information on populations at risk, medical diagnosis, treatment, and prognosis.

  5. A Demonstration of Acid Rain

    Science.gov (United States)

    Fong, Man Wai

    2004-01-01

    A demonstration showing acid rain formation is described. Oxides of sulfur and nitrogen that result from the burning of fossil fuels are the major pollutants of acid rain. In this demonstration, SO[subscript 2] gas is produced by the burning of matches. An acid-base indicator will show that the dissolved gas turns an aqueous solution acidic.

  6. Biological properties of lipoic acid

    OpenAIRE

    Anna Bilska; Lidia Włodek

    2002-01-01

    Lipoic acid is a prostetic group of H-protein of the glycine cleavage system and the dihydrolipoamide acyltransferases (E2) of the pyruvate, alpha-ketoglutarate and branched-chain alpha-keto acid dehydrogenase complexes. Lipoic acid and its reduced form, dihydrolipoic acid, reacts with oxygen reactive species. This paper reviews the beneficial effects in oxidative stress models or clinical conditions.

  7. Amino acid analysis.

    Science.gov (United States)

    Crabb, J W; West, K A; Dodson, W S; Hulmes, J D

    2001-05-01

    Amino acid analysis (AAA) is one of the best methods to quantify peptides and proteins. Two general approaches to quantitative AAA exist, namely, classical postcolumn derivatization following ion-exchange chromatography and precolumn derivatization followed by reversed-phase HPLC (RP-HPLC). Excellent instrumentation and several specific methodologies are available for both approaches, and both have advantages and disadvantages. This unit focuses on picomole-level AAA of peptides and proteins using the most popular precolumn-derivatization method, namely, phenylthiocarbamyl amino acid analysis (PTC-AAA). It is directed primarily toward those interested in establishing the technology with a modest budget. PTC derivatization and analysis conditions are described, and support and alternate protocols describe additional techniques necessary or useful for most any AAA method--e.g., sample preparation, hydrolysis, instrument calibration, data interpretation, and analysis of difficult or unusual residues such as cysteine, tryptophan, phosphoamino acids, and hydroxyproline. PMID:18429107

  8. Halogenated fatty acids

    DEFF Research Database (Denmark)

    Mu, Huiling; Sundin, Peter; Wesén, Clas

    1997-01-01

    Halogenated fatty acids are the major contributors to organohalogen compounds in lipids of marine mammals, fish, and bivalves. For the initial characterization of these recently noticed compounds, a determination of the halogen concentration has usually been combined with some lipid isolation and...... separation method. This review covers separation by solid phase chromatography, gel permeation chromatography, and liquid-liquid extraction, followed by halogen determination. All studies performed according to this outline have indicated that the major organohalogen compounds are chlorinated fatty acids...... bound in different lipids. For the detection and identification of individual, halogenated fatty acid methyl esters (FAMEs) liberated from the lipids, gas chromatography (GC) has been employed together with detection methods such as electron capture detection, electrolytic conductivity detection (ELCD...

  9. [Nicotinic acid and nicotinamide].

    Science.gov (United States)

    Kobayashi, M; Shimizu, S

    1999-10-01

    Nicotinic acid and nicotinamide are called niacin. They are the antipellagra vitamin essential to many animals for growth and health. In human being, niacin is believed necessary together with other vitamins for the prevention and cure of pellagra. Niacin is widely distributed in nature; appreciable amounts are found in liver, fish, yeast and cereal grains. Nicotinamide is a precursor of the coenzyme NAD and NADP. Some of the most understood metabolic processes that involve niacin are glycolysis, fatty acid synthesis and respiration. Niacin is also related to the following diseases: Hartnup disease; blue diaper syndrome; tryptophanuria; hydroxykynureninuria; xanthurenic aciduria; Huntington's disease. PMID:10540864

  10. Whither Acid Rain?

    OpenAIRE

    Peter Brimblecombe

    2000-01-01

    Acid rain, the environmental cause célèbre of the 1980s seems to have vanished from popular conscience. By contrast, scientific research, despite funding difficulties, has continued to produce hundreds of research papers each year. Studies of acid rain taught much about precipitation chemistry, the behaviour of snow packs, long-range transport of pollutants and new issues in the biology of fish and forested ecosystems. There is now evidence of a shift away from research in precipitation and s...

  11. A very acid rocket

    Energy Technology Data Exchange (ETDEWEB)

    Benoit Browaeys, D.

    1996-04-01

    The french rocket Ariane is the cause of environmental pollution. These effects are discussed in this article. Chloric acid and aluminium are in question: chloric acid is responsible of leaves necrosis and pulmonary diseases among the rats. For the man, the danger would be that drinking water could be contaminated by aluminium, which is neuro toxic with serious chronic effects. It is implicated in Alzheimer disease. But no studies has been made to search aluminium in drinking water of Sinnamary and Kourou. (N.C.). 8 refs., 2 figs.

  12. Ethylenediaminetetraacetic acid in endodontics.

    Science.gov (United States)

    Mohammadi, Zahed; Shalavi, Sousan; Jafarzadeh, Hamid

    2013-09-01

    Ethylenediaminetetraacetic acid (EDTA) is a chelating agent can bind to metals via four carboxylate and two amine groups. It is a polyamino carboxylic acid and a colorless, water-soluble solid, which is widely used to dissolve lime scale. It is produced as several salts, notably disodium EDTA and calcium disodium EDTA. EDTA reacts with the calcium ions in dentine and forms soluble calcium chelates. A review of the literature and a discussion of the different indications and considerations for its usage are presented. PMID:24966721

  13. Whither Acid Rain?

    Directory of Open Access Journals (Sweden)

    Peter Brimblecombe

    2000-01-01

    Full Text Available Acid rain, the environmental cause célèbre of the 1980s seems to have vanished from popular conscience. By contrast, scientific research, despite funding difficulties, has continued to produce hundreds of research papers each year. Studies of acid rain taught much about precipitation chemistry, the behaviour of snow packs, long-range transport of pollutants and new issues in the biology of fish and forested ecosystems. There is now evidence of a shift away from research in precipitation and sulfur chemistry, but an impressive theoretical base remains as a legacy.

  14. Boric acid concentration monitoring

    International Nuclear Information System (INIS)

    Boric acid concentration was measured by thermal neutron absorption in the study of the boric acid sorption and desorption curves on an anion exchange resin. Ra-Be 18.5 GBq and Am-Be 111 GBq sources and water as a moderator were used. The SNM 12 cylindrical corona detector with 10B placed in the middle of the measuring cell was used for neutron flux measurement. The HP 9600 E computer system was used for measured data collection and evaluation. (Ha)

  15. Polyunsaturated fatty acids and inflammation

    OpenAIRE

    Calder Philip C

    2004-01-01

    The n-6 polyunsaturated fatty acid arachidonic acid gives rise to the eicosanoid family of inflammatory mediators (prostaglandins, leukotrienes and related metabolites) and through these regulates the activities of inflammatory cells, the production of cytokines and the various balances within the immune system. Fish oil and oily fish are good sources of long chain n-3 polyunsaturated fatty acids. Consumption of these fatty acids decreases the amount of arachidonic acid in cell membranes and ...

  16. Mechanisms of hydroxyl radical production from abiotic oxidation of pyrite under acidic conditions

    Science.gov (United States)

    Zhang, Peng; Yuan, Songhu; Liao, Peng

    2016-01-01

    Hydroxyl radicals (radOH) produced from pyrite oxidation by O2 have been recognized, but mechanisms regarding the production under anoxic and oxic conditions are not well understood. In this study, the mechanisms of radOH production from pyrite oxidation under anoxic and oxic conditions were explored using benzoic acid (BA) as an radOH probe. Batch experiments were conducted at pH 2.6 to explore radOH production under anoxic and oxic conditions. The cumulative radOH concentrations produced under anoxic and oxic conditions increased linearly to 7.5 and 52.2 μM, respectively within 10 h at 10 g/L pyrite. Under anoxic conditions, radOH was produced from the oxidation of H2O on the sulfur-deficient sites on pyrite surface, showing an increased production with the increase of pyrite surface exposure due to oxidation. Under oxic conditions, the formation of radOH proceeds predominantly via the two-electron reduction of O2 on pyrite surface along with a minor contribution from the oxidation of H2O on surface sulfur-defects and the reactions of Fe2+/sulfur intermediates with O2. For both O2 reduction and H2O oxidation on the surface sulfur-defects, H2O2 was the predominant intermediate, which subsequently transformed to radOH through Fenton mechanism. The radOH produced had a significant impact on the transformation of contaminants in the environment. Anoxic pyrite suspensions oxidized 13.9% As(III) (C0 = 6.67 μM) and 17.6% sulfanilamide (C0 = 2.91 μM) within 10 h at pH 2.6 and 10 g/L pyrite, while oxic pyrite suspensions improved the oxidation percentages to 55.4% for As(III) and 51.9% for sulfanilamide. The ratios of anoxic to oxic oxidation are consistent with the relative contribution of surface sulfur-defects to radOH production. However, Fe2+ produced from pyrite oxidation competed with the contaminants for radOH, which is of particular significance with the increase of time in a static environment. We conclude that radOH can be produced from abiotic oxidation of

  17. 卤代苯甲酸铽与1,10-邻菲哕啉三元配合物的合成及性质%Synthesis and Properties of Ternary Terbium Complexes with Halogen-benzoic Acid and 1,10-phenanthroline

    Institute of Scientific and Technical Information of China (English)

    徐丽娟; 王瑞芬; 赵娜; 王淑萍; 张建军

    2007-01-01

    以卤代苯甲酸和1,10-邻菲哕啉为配体,合成了9种Tb(Ⅲ)的三元配合物,以EDTA配位滴定分析和元素分析确定了各配合物的组成.通过红外光谱分析对配合物的结构进行了初步表征,在配合物中羧基氧原子和1,10-邻菲哕啉中的氮原子均参与了配位.采用TG-DTG技术对配合物的热稳定性进行了研究,9种配合物均有较好的热稳定性,它们的热稳定性顺序为:Tb(o-ClBA)3phen>Tb(o-BrBA)3phen>Tb(p-ClBA)3phen>Tb(m-BrBA)3phen·H2O>Tb(o-FBA)3phen>Tb(p-BrBA)3phen>Tb(p-FBA)3phen>Tb(m-ClBA)3phen≈Tb(m-FBA)3phen·H2O.在同一条件下测得了各配合物固体粉末的激发和发射光谱,结果表明:相同取代基和相同取代位置的各组配合物的两个较强发射峰(5D4-7F6和5D4-7F5)的荧光强度顺序分别为:Tb(o-FBA)3phen>Tb(p-FBA)3phen>Tb(m-FBA)3phen·H2O,Tb(m-ClBA)3phen>Tb(p-ClBA)3phen>Tb(o-ClBA)3phen,Tb(p-BrBA)3phen>Tb(o-BrBA)3phen>Tb(m-BrBA)3phen·H2O和Tb(o-FBA)3phen>Tb(o-BrBA)3phen>Tb(o-ClBA)3phen,Tb(m-ClBA)3phen>Tb(m-FBA)3phen·H2O>Tb(m-BrBA)3phen·H2O,Tb(p-BrBA)3phen>Tb(p-ClBA)3phen>Tb(p-FBA)3phen[其中o(m,p)-F(Cl,Br)BA为邻(间,对)氟(氯,溴)苯甲酸根,phen为1,10-邻菲哕啉].

  18. The electric structure and nonlinear optical properties of 4-[(4-{[4-({4-[(4-Amino-benzyfidene)-amino]-benzylidene}-amino)-benzylidene]-amino}-benzylidene)-amino]-benzoic acid%4-[(4-{[4-({4-[(4-Amino-benzylidene)-amino]-benzylidene}-amino)-benzylidene]-amino}-benzylidene)-amino]-benzcic acid的电子结构和非线性光学性质

    Institute of Scientific and Technical Information of China (English)

    孙振范

    2001-01-01

    利用分子工程设计原理设计了一个具有较大D-π-A电子结构的化合物分子,并利用分子模拟方法对目标分子的电子结构进行计算,用有限场方法预测了该分子的非线性光学性质.

  19. 邻{2-[α-(2-羟基-5-磺基苯偶氮)-亚苄基]肼基}苯甲酸与胃蛋白酶的作用机理%Study on the Interaction of O-{2-[α-(2-Hydroxy-5-sulphophenylazo)-benzylidene]hydrazino}benzoic Acid with Pepsin

    Institute of Scientific and Technical Information of China (English)

    迟燕华; 庄稼; 易显华; 董发勤; 李克安; 李娜; 童沈阳

    2000-01-01

    采用UV光谱法研究了在pH 2.15的酸性溶液中,邻{2-[α-(2-羟基-5-磺基苯偶氮)-亚苄基]肼基}苯甲酸(ZCN)与胃蛋白酶(Pepsin)相互作用的反应机理及基本条件,认为它们之间主要靠分子间的静电引力结合. 研究了酸度、温度、时间、离子强度、不同类型蛋白质等对该反应体系的影响. 测得ZCN与Pepsin复合物的表观摩尔吸光系数ε=3.16 ×105 L/mol.cm,两者的最大结合数为100. 探讨了适应该反应的结合模式,由实验数据整理后认为基本符合Scatchard模型.

  20. Acid Rain Investigations.

    Science.gov (United States)

    Hugo, John C.

    1992-01-01

    Presents an activity in which students investigate the formation of solid ammonium chloride aerosol particles to help students better understand the concept of acid rain. Provides activity objectives, procedures, sample data, clean-up instructions, and questions and answers to help interpret the data. (MDH)