Sample records for acetanilides

  1. Deuteration of acetanilides

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    Chin, S.K.; Collier, R.; Hutchinson, D.W. (Warwick Univ., Coventry (UK). Dept. of Chemistry and Molecular Sciences)


    The base-catalysed exchange of a proton of the methyl groups in acetanilides can be used to incorporate deuterium into these amides. 4'-Hydroxyl-2(/sup 2/H)acetanilide (acetaminophen, paracetamol) can be prepared by the demethylation with boron tribromide of 4'-methoxy-2(/sup 2/H) acetamide obtained by this base-catalysed exchange.

  2. Palladium-catalysed ortho arylation of acetanilides

    Indian Academy of Sciences (India)

    Guo-zhen zhang; Cheng-Qun Chen; Xin-Hua Feng; Guo-Sheng Huang


    The palladium-catalysed direct arylation of acetanilides by using C-H activation methodology has been demonstrated. Several acetanilides were coupled with aryl iodides in the presence of 10 mol% of Pd(OAc)2, 1.0 equiv of Cu(OTf)2, and 0.6 equiv of Ag2O to afford the corresponding products in moderate to excellent yields. The results showed that the amount of Ag2O was important for this protocol.

  3. Infrared Absorption in Acetanilide by Solitons

    DEFF Research Database (Denmark)

    Careri, G.; Buontempo, U.; Carta, F.;


    The infrared spectrum of acetanilide shows a new band that is red shifted from the main amide-I maximum by about 15 cm-1, the intensity of which increases at low temperature. It is suggested that this band may arise from the creation of amide-I solitons that are similar (but not identical) to those...

  4. Semiclassical and quantum polarons in crystaline acetanilide


    Hamm, Peter; Tsironis, G. P.


    Crystalline acetanilide is a an organic solid with peptide bond structure similar to that of proteins. Two states appear in the amide I spectral region having drastically different properties: one is strongly temperature dependent and disappears at high temperatures while the other is stable at all temperatures. Experimental and theoretical work over the past twenty five years has assigned the former to a selftrapped state while the latter to an extended free exciton state. In this article we...

  5. Biodegradation of acetanilide herbicides acetochlor and butachlor in soil

    Institute of Scientific and Technical Information of China (English)


    The biodegradation of two acetanilide herbicides,acetochlor and butachlor in soil after other environmental organicmatters addition were measured during 35 days laboratoryincubations. The herbicides were applied to soil alone, soil-SDBS(sodium dodecylbenzene sulfonate) mixtures and soil-HA (humic acid)mixtures. Herbicide biodegradation kinetics were compared in thedifferent treatment. Biodegradation products of herbicides in soilalone samples were identified by GC/MS at the end of incubation.Addition of SDBS and HA to soil decreased acetochlorbiodegradation, but increased butachlor biodegradation. Thebiodegradation half-life of acetochlor and butachlor in soil alone,soil-SDBS mixtures and soil-HA mixtures were 4.6d, 6.1d, 5.4d, and5.3d, 4.9d, and 5.3d respectively. The biodegradation products werehydroxyacetochlor and 2-methyl-6-ethylaniline for acetochlor, andhydroxybutachlor and 2,6-diethylaniline for butachlor.

  6. Biodegradation of acetanilide herbicides acetochlor and butachlor in soil. (United States)

    Ye, Chang-ming; Wang, Xing-jun; Zheng, He-hui


    The biodegradation of two acetanilide herbicides, acetochlor and butachlor in soil after other environmental organic matter addition were measured during 35 days laboratory incubations. The herbicides were applied to soil alone, soil-SDBS (sodium dodecylbenzene sulfonate) mixtures and soil-HA (humic acid) mixtures. Herbicide biodegradation kinetics were compared in the different treatment. Biodegradation products of herbicides in soil alone samples were identified by GC/MS at the end of incubation. Addition of SDBS and HA to soil decreased acetochlor biodegradation, but increased butachlor biodegradation. The biodegradation half-life of acetochlor and butachlor in soil alone, soil-SDBS mixtures and soil-HA mixtures were 4.6 d, 6.1 d and 5.4 d and 5.3 d, 4.9 d and 5.3 d respectively. The biodegradation products were hydroxyacetochlor and 2-methyl-6-ethylaniline for acetochlor, and hydroxybutachlor and 2,6-diethylaniline for butachlor.

  7. Adsorption of Acetanilide Herbicides on Soil and Its Components: IV. Sorption of Acetanilide Herbicides on Soils and Its Correlation with Soil Properties

    Institute of Scientific and Technical Information of China (English)


    Sorption of acetanilide herbicides, metolachlor, acetochlor, pretilachlor and butachlor on eight soils with various physical and chemical properties was studied. The adsorption isotherms could fit Freundlich equation well (r2 >= 0.91) and the adsorption extents increased in the order: metolachlor < acetochlor < pretilachlor < butachlor. The product of Freundlich adsorption constants, Kf (1/n), showed to have a good correlation with organic matter content (OM) of soils for each of these herbicides, suggesting that OM is the primary factor dominating in the adsorption process of these acetanilide herbicides. Multivariant correlation regression between Kf(i/n) and two factors, water solubility (Sw) of herbicides and OM, was also performed. Kf(1/n) correlated with 1/Sw and OM/Sw well, showing that high Sw corresponds to a weak tendency to adsorb on soils. Infrared (IR) spectra and electron spin resonance (ESR) parameters confirmed that multifunctional H-bonds and charge-transfer bonds were the main adsorption mechanisms of these acetanilide herbicides. The abilities of herbicides to form these adsorption bonds with HA increased in the same order as the extent of adsorption.

  8. Femtosecond study of self-trapped vibrational excitons in crystalline acetanilide

    DEFF Research Database (Denmark)

    Edler, J.; Hamm, Peter; Scott, Alwyn C.


    Femtosecond IR spectroscopy of delocalized NH excitations of crystalline acetanilide confirms that self-trapping in hydrogen-bonded peptide units exists and does stabilize the excitation. Two phonons with frequencies of 48 and 76 cm(-1) are identified as the major degrees of freedom that mediate ...

  9. Adsorption of Acetanilide Herbicides on Soil and Its COmponents: Ⅳ.Sorption of Acetanilide Herbicides on Soils and Its Correlation with Soil Properties

    Institute of Scientific and Technical Information of China (English)



    Sorption of acetanilide herbicides,metolachlor,acetochlor,pretilachlor and butachlor on eight soils with various physical and chemical properties was studied,The adsporption isotherms could fit Freundlich equation well(r2≥0.91) and the adsorption extents increased in the order:metolachloracetanilide herbicides.Multivariant orrelation regression between Kf(1/n) and two factors,water solubility(Sw) of herbicides and OM,was also performed,Kf(1/n) correlated with 1/Sw and OM/Sw well showing that high Sw corresponds to a weak tendency to adsorb on soils.Infrared(IR) spectra and electron pin resonance(ESR) parameters confirmed that multifunctional H-bonds and charge-transfer bonds were the mian adsorption mechanismes of these acetanilitde herbicides,The abilities of herbicides to form these adsorption bonds with HA increased in the same order as the extent of adsorption.

  10. The two conformers of acetanilide unraveled using LA-MB-FTMW spectroscopy (United States)

    Cabezas, C.; Varela, M.; Caminati, W.; Mata, S.; López, J. C.; Alonso, J. L.


    Acetanilide has been investigated by laser ablation molecular beam Fourier transform microwave LA-MB-FTMW spectroscopy. The rotational spectrum of both trans and cis conformers have been analyzed to determine the rotational and 14N quadrupole coupling the constants. The spectrum of the less abundant cis conformer has been assigned for the first time. The doublets observed for this conformer have been interpreted in terms of the tunneling motion between two equivalent non-planar conformations through a small barrier in which the acetamide group and phenyl ring plane are perpendicular. The results are compared with those of the related formanilide.

  11. Molecularly Imprinted Polymer with Calix[4]arene Derivative for the Recognition of Acetanilide

    Institute of Scientific and Technical Information of China (English)

    LU, Chun-Yang(卢春阳); HE, Hai-Cheng(何海成); HE, Xi-Wen(何锡文); ZENG, Xian-Shun(曾宪顺)


    Two molecularly imprinted polymers binding to analgesic acetanilide were prepared using either dual functional monomers of calix[4]arene derivative and acrylamide or single monomer acrylamide, respectively. The polymers were ground, sieved and investigated by equilibrium binding experiment to evaluate their recognition properties for the template and other substrates. Scatchard analysis showed that homogeneous recognition sites were formed in the imprinted polymer matrix. Our results demonstrated that the polymer using two functional monomers exhibited better selectivity for the template. This study may open new frontiers for the development and application of imprinted polymers, such as drug separation and purification.

  12. Merging Photoredox with Palladium Catalysis: Decarboxylative ortho-Acylation of Acetanilides with α-Oxocarboxylic Acids under Mild Reaction Conditions. (United States)

    Zhou, Chao; Li, Pinhua; Zhu, Xianjin; Wang, Lei


    A room temperature decarboxylative ortho-acylation of acetanilides with α-oxocarboxylic acids has been developed via a novel Eosin Y with Pd dual catalytic system. This dual catalytic reaction shows a broad substrate scope and good functional group tolerance, and an array of ortho-acylacetanilides can be afforded in high yields under mild conditions.


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    Dr. Violet Dhayabaran et al


    Full Text Available Serum albumins are the most abundant proteins in plasma with many physiological functions. Among them, BSA has a wide range of functions involving the binding, transport and delivery of fatty acids, porphyrins, bilirubin, steroids, etc and it is home to specific binding sites for metals, pharmaceuticals and dyes. Recently, nanotechnology has become a popular term in the current science and technology. Nanotechnology has been introduced for the food and drug industry, including encapsulations and delivery systems. BSA nanoparticles were prepared and their binding efficacy with the available analgesics such as acetanilide and its derivatives were studied. The value of apparent rate constant Kapp from the interaction between acetanilide and BSA by UV visible spectroscopic and fluorescence technique was found to be 2.294X106. The quenching rate constant of BSA-Acetanilide was found to be 1.0345X1015M-1 S-1. There are two binding sites in BSA for acetanilide. A QSAR study was performed for the different analgesics. Inhibition of Acetanilide and its derivatives with the Cyclooxygenase (COX 1 was studied using docking mechanism. The electro chemical behavior of acetanilide is studied and it is found to be reversible.

  14. On-line reaction monitoring of lithiation of halogen substituted acetanilides via in situ calorimetry, ATR spectroscopy, and endoscopy. (United States)

    Godany, Tamas A; Neuhold, Yorck-Michael; Hungerbühler, Konrad


    Lithiation of N-(4-chlorophenyl)-pivalamide (NCP) and two additional substituted acetanilides: 4-fluoroacetanilide (4-F) and 4-chloroacetanilide (4-Cl) has been monitored by means of calorimetry, on-line ATR-IR and UV/vis spectroscopy and endoscopy. The combined on-line monitoring revealed the differences between the reaction paths of the chosen substrates. Thus the product structure and the reaction times for the individual reaction steps can be determined in situ.

  15. Theoretical studies on the mechanism of palladium(II)-catalysed ortho-carboxylation of acetanilide with CO

    Indian Academy of Sciences (India)

    Xing Hui Zhang; Zhi Yuan Geng; Ke Tai Wang


    The mechanism of palladium(II)-catalysed carboxylation of acetanilide with CO has been investigated using density functional theory calculation done at the B3LYP/6-31G(d, p)(SDD for Pd) level of theory. Solvent effects on these reactions have been explored by calculation that included a polarizable continuum model (PCM) for the solvent. Two plausible pathways which led to the formation of anhydride or benzoxazinone intermediate structure were proposed. Our calculated results suggested that the steps of forming the anhydride or benzoxazinone intermediate became the rate-determining one in the whole catalytic cycle. The process of forming benzoxazinone is more favoured kinetically with a barrier of 16.6 kcal/mol versus 22.9 kcal/mol for the pathway of forming anhydride structure. Subsequent hydrolysis process of these intermediates then provide the corresponding product ortho-acetaminobenzoic acid. The computational results are consistent with the experimental observations of Yu et al. for palladium(II)-catalysed synthesis of acetanilide based on carbon monoxide.

  16. Predicting the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol mixtures via molecular simulation (United States)

    Paluch, Andrew S.; Parameswaran, Sreeja; Liu, Shuai; Kolavennu, Anasuya; Mobley, David L.


    We present a general framework to predict the excess solubility of small molecular solids (such as pharmaceutical solids) in binary solvents via molecular simulation free energy calculations at infinite dilution with conventional molecular models. The present study used molecular dynamics with the General AMBER Force Field to predict the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol solvents. The simulations are able to predict the existence of solubility enhancement and the results are in good agreement with available experimental data. The accuracy of the predictions in addition to the generality of the method suggests that molecular simulations may be a valuable design tool for solvent selection in drug development processes.

  17. Ab initio molecular orbital and infrared spectroscopic study of the conformation of secondary amides: derivatives of formanilide, acetanilide and benzylamides (United States)

    Ilieva, S.; Hadjieva, B.; Galabov, B.


    Ab initio molecular orbital calculations at HF/4-31G level and infrared spectroscopic data for the frequencies are applied to analyse the grouping in a series model aromatic secondary amides: formanilide; acetanilide; o-methylacetanilide; 2,6-dimethylformanilide, 2,6-dimethylacetanilide; N-benzylacetamide and N-benzylformamide. The theoretical and experimental data obtained show that the conformational state of the molecules studied is determined by the fine balance of several intramolecular factors: resonance effect between the amide group and the aromatic ring, steric interaction between various substituents around the -NH-CO- grouping in the aromatic ring, conjugation between the carbonyl bond and the nitrogen lone pair as well as direct field influences inside the amide group.

  18. Solar Cooker Study under Oman Conditions for Late Evening Cooking Using Stearic Acid and Acetanilide as PCM Materials

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    Nagaraj Nayak


    Full Text Available Solar energy is an alternative source of nonrenewable energy in Oman. Sultanate of Oman government showed initiation into utilization of solar energy for domestic applications. Conversion of solar radiation into useful heat is the simplest application of solar energy, in which it can be used for late evening cooking. In this context, present work highlighted the design and development of solar cooker for Oman climatic conditions. The current work signifies usage of solar cooker for late evening cooking using stearic acid and acetanilide as phase change materials (PCM. Solar cooker parts are developed in-house and connected to water heating system compounded with evacuated tubes solar collector and storage tank. The circumference of cooker unit is incorporated with spiral stainless steel heat exchanger and annulus area of the pot is filled with PCM material. PCM releases heat at late evening and effective cooking up to 7:30 PM is noticed. The experimental results indicated the cooker efficiency of 30% and collector efficiency of 60–65% during the study. Overall, experiments showed satisfactory performance on the developed cooker.

  19. Towards an understanding of the molecular mechanism of solvation of drug molecules: a thermodynamic approach by crystal lattice energy, sublimation, and solubility exemplified by paracetamol, acetanilide, and phenacetin. (United States)

    Perlovich, German L; Volkova, Tatyana V; Bauer-Brandl, Annette


    Temperature dependencies of saturated vapor pressure for the monoclinic modification of paracetamol (acetaminophen), acetanilide, and phenacetin (acetophenetidin) were measured and thermodynamic functions of sublimation calculated (paracetamol: DeltaGsub298=60.0 kJ/mol; DeltaHsub298=117.9+/-0.7 kJ/mol; DeltaSsub298=190+/-2 J/mol.K; acetanilide: DeltaGsub298=40.5 kJ/mol; DeltaHsub298=99.8+/-0.8 kJ/mol; DeltaSsub298=197+/-2 J/mol.K; phenacetin: DeltaGsub298=52.3 kJ/mol; DeltaHsub298=121.8+/-0.7 kJ/mol; DeltaSsub298=226+/-2 J/mol.K). Analysis of packing energies based on geometry optimization of molecules in the crystal lattices using diffraction data and the program Dmol3 was carried out. Parameters analyzed were: (a) energetic contribution of van der Waals forces and hydrogen bonding to the total packing energy; (b) contributions of fragments of the molecules to the packing energy. The fraction of hydrogen bond energy in the packing energy increases as: phenacetin (17.5%)Enthalpies of evaporation were estimated from enthalpies of sublimation and fusion. Activity coefficients of the drugs in n-octanol were calculated from cryoscopic data and by estimation of dilution enthalpy obtained from solubility and calorimetric experiments (for infinite dissolution). Solubility temperature dependencies in n-octanol and n-hexane were measured. The thermodynamic functions of solubility and solvation processes were deduced. Specific and nonspecific solvation terms were distinguished using the transfer from the "inert" n-hexane to the other solvents. The transfer of the molecules from water to n-octanol is enthalpy driven for paracetamol; for acetanilide and phenacetin, entropy driven.

  20. Study on the Synthesis of 4-Iodine Acetanilide%4-碘乙酰苯胺的合成研究

    Institute of Scientific and Technical Information of China (English)

    董玉环; 王光荣; 周长山


    Firstly,aniline is acetylated with acetic acid,then the mild oxidant hydrogen peroxide is used as an activator of iodide reaction and the potassium iodide is used as iodine agent in the mixture of water and methanol.Under certain conditions,we get 4-iodine Acetanilide.The optimum reaction conditions are determined as follows: volume ratio of alcohol to water being 1:3,the ration of oxidant to raw materials being 2:1,reaction time being 6 h,the reaction temperature being 75 ℃,under these conditions the maximum yield is 86.7%.This method has some advantages.Less reaction steps are needed.The reaction is under mild conditions with good selectivity and high yield,moreover,it is environmental friendly.%以苯胺为起始原料,用冰醋酸将其乙酰化后,碘化钾为碘化剂,以温和的氧化剂双氧水作为碘化反应的活化剂,以CH3OH-H2O溶液为溶剂,在一定的反应条件下合成了4-碘乙酰苯胺,最佳反应条件为:H2O-CH3OH体积比为3:1,氧化剂用量与原料用量摩尔比为2:1,反应时间为6 h,反应温度75℃,4-碘乙酰苯胺的最高产率可达到86.7%。该方法反应步骤少,条件温和,选择性较好,产率高且绿色环保。

  1. Nicotine, acetanilide and urea multi-level2H-,13C- and15N-abundance reference materials for continuous-flow isotope ratio mass spectrometry (United States)

    Schimmelmann, A.; Albertino, A.; Sauer, P.E.; Qi, H.; Molinie, R.; Mesnard, F.


    Accurate determinations of stable isotope ratios require a calibration using at least two reference materials with different isotopic compositions to anchor the isotopic scale and compensate for differences in machine slope. Ideally, the S values of these reference materials should bracket the isotopic range of samples with unknown S values. While the practice of analyzing two isotopically distinct reference materials is common for water (VSMOW-SLAP) and carbonates (NBS 19 and L-SVEC), the lack of widely available organic reference materials with distinct isotopic composition has hindered the practice when analyzing organic materials by elemental analysis/isotope ratio mass spectrometry (EA-IRMS). At present only L-glutamic acids USGS40 and USGS41 satisfy these requirements for ??13C and ??13N, with the limitation that L-glutamic acid is not suitable for analysis by gas chromatography (GC). We describe the development and quality testing of (i) four nicotine laboratory reference materials for on-line (i.e. continuous flow) hydrogen reductive gas chromatography-isotope ratio mass-spectrometry (GC-IRMS), (ii) five nicotines for oxidative C, N gas chromatography-combustion-isotope ratio mass-spectrometry (GC-C-IRMS, or GC-IRMS), and (iii) also three acetanilide and three urea reference materials for on-line oxidative EA-IRMS for C and N. Isotopic off-line calibration against international stable isotope measurement standards at Indiana University adhered to the 'principle of identical treatment'. The new reference materials cover the following isotopic ranges: ??2Hnicotine -162 to -45%o, ??13Cnicotine -30.05 to +7.72%, ?? 15Nnicotine -6.03 to +33.62%; ??15N acetanilide +1-18 to +40.57%; ??13Curea -34.13 to +11.71%, ??15Nurea +0.26 to +40.61% (recommended ?? values refer to calibration with NBS 19, L-SVEC, IAEA-N-1, and IAEA-N-2). Nicotines fill a gap as the first organic nitrogen stable isotope reference materials for GC-IRMS that are available with different ??13N

  2. Studies on Synthesis of Some Novel Heterocyclic Chalcone, Pyrazoline, Pyrimidine - 2 - One, Pyrimidine - 2 - Thione, para-Acetanilide Sulphonyl and Benzoyl Derivatives and their Antimicrobial Activity

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    Rakesh N. Mistry


    Full Text Available 1, 2 - Dichloro benzene on chlorosulphonation by chlorosulphonic acid gives 1, 2 - [dichloro] - benzene sulphonyl chloride which on condensation with p –amino acetophenone gives 1-[acetyl] - 1’ , 2’ - [dichloro] - dibenz sulphonamide derivative. This derivative undergo condensation with 2,4- dichloro benzaldehyde gives 1- [3” - (sub. phenyl - 2” - propene - 1” - one] - 1’ , 2’ - [dichloro] - dibenz sulphonamide derivative which on reaction with 99% hydrazine hydrate and glacial acetic acid gives 1-[acetyl]-3- [1’ , 2’ - (dichloro - dibenz sulphonamide] -5 - [2” , 4” - dichloro phenyl] - 2 - pyrazoline derivative. This derivative reacts with various substituted aldehydes to give corresponding substituted chalcone derivatives [1(a-j]. Now, these chalcone derivatives [1(a-j] on condensation with urea gives corresponding substituted pyrimidine - 2 - one derivatives [2(a-j] and on condensation with thio-urea gives corresponding substituted pyrimidine- 2 -thione derivatives [3(a-j]. Further, these chalcone derivatives [1(a-j] on reaction with 99% hydrazine hydrate gives 1 - [1’ - (H - 5’ - (sub. phenyl - 2’ - pyrazoline]- 3 - [1” , 2” - (dichloro - dibenz sulphonamide] - 5 - [2’’’ , 4’’’ - dichloro phenyl]-2- pyrazoline derivatives [4(a-j] as an intermediate compounds, which on condensation with p-acetanilide sulphonyl chloride gives corresponding substituted p - acetanilide sulphonyl derivatives [5(a-j] and on condensation with benzoyl chloride gives corresponding substituted benzoyl derivatives [6(a-j]. Structure elucidation of synthesised compounds has been made on the basis of elemental analysis, I.R. spectral studies and 1H N.M.R. spectral studies. The antimicrobial activity of the synthesised compounds has been studied against the cultures “Staphylococcus aureus”, “Escherichia coli” and “Candela albicans”.

  3. Drug delivery system prepared by ionizing radiation of the N,N-dimethyl acrylamide with acryloyloxy-acetanilide copolymerization; Sistema de liberacao de droga obtido via radiacao ionizante pela copolimerizacao do N,N-dimetilacrilamida com 4-acriloiloxiacetanilida

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    Martellini, Flavia; Higa, Olga Z. [Instituto de Pesquisas Energeticas e Nucleares (IPEN), Sao Paulo, SP (Brazil); Queiroz, Alvaro A.A. de [Escola Federal de Engenharia de Itajuba, MG (Brazil); Rodighiero, Paolo [Universidade de Padova (Italy). Inst. de Ciencias Farmaceuticas


    Radiation induced polymerization has been used in biomaterials used in systems which such as drug delivery (DDS). This work describes the copolymerization of the monomers by gamma rays N,N-dimethyl acrylamide (DMAA) and acryloyloxy-acetanilide (AOA) for the immobilization of paracetamol, an analgesic and anti thermic drug. Dimethylformamide solutions were used in two concentrations of DMAA and AOA (F{sub DMAA/AOA} = 0,85/015 and 0,70/0,30, where F = molar fraction in the monomer feed). The samples were irradiated in the dose range of 30-800 Gy. The copolymer poly(DMAA-co-AOA) characterization was carried out by FTIR and {sup 1}HRMN. The hydrolysis was studied considering the formation of sodium salts of 4-hydroxy acetanilide at different times of treatment using colorimetric assay. (author). 6 refs., 5 figs.

  4. Absorption and metabolism of 2-chloro-2,6-diethyl-N-(butoxymethyl)acetanilide (butachlor) in human skin in vitro. (United States)

    Ademola, J I; Wester, R C; Maibach, H I


    Studies have demonstrated that several chemicals are absorbed and metabolized during skin permeation. We investigated the absorption and metabolism of the pesticide butachlor. Radiolabeled butachlor was measured in human (n = 5) skin and the unchanged compound and metabolites were quantified by high-pressure liquid chromatography (HPLC) and thin-layer chromatography (TLC). Following a 24-hr exposure, an average butachlor quantity of approximately 5.00% of the applied dose (1.01 micrograms) was absorbed by the skin. The mean peak penetration rate was 0.7% of the applied dose per hour. The skin retained 1.40 to 8.10% of the applied butachlor. The retention of 1.4 to 8.1% of the pesticide by the skin suggests the importance of monitoring human skin following topical exposure. Of the dose recovered in the skin, 0.9% was metabolized to 4-hydroxybutachlor, while 1.8% of the dose in the receptor fluid was recovered as polar conjugates (cysteine, 0.29% dose; glutathione, 0.1% dose; unidentified metabolites, 1.4% dose); 2.8 and 6.8% of the dose absorbed by the skin (approximately 5.0%) were recovered as metabolites in the receptor fluids and skin homogenates, respectively. Similar to metabolism during percutaneous absorption, butachlor was metabolized to its conjugated and hydroxyl derivatives by skin fractions. The rate of butachlor glutathione and butachlor cysteine formation using skin cytosolic fractions were 12.0 +/- 1.5 and 48.0 +/- 3.6 pmol/min/mg protein +/- SD, respectively. When human skin microsomes were incubated with butachlor, 4-hydroxybutachlor was formed at the rate of 55.0 +/- 15.0 pmol/min/mg protein +/- SD. 4-Hydroxybutachlor formation was totally dependent on the presence of NADPH. The biotransformation of butachlor using skin fractions indicates the metabolic capacity of the tissue. The biological significance of these metabolites in the disposition of butachlor requires further investigation.

  5. Proposal of an Amide-Directed Carbocupration Mechanism for Copper-Catalyzed meta-Selective C-H Arylation of Acetanilides by Diaryliodonium Salts

    Institute of Scientific and Technical Information of China (English)

    Song-lin Zhang; Yu-qiang Ding


    We examined the puzzling mechanism for Cu-catalyzed meta-C-H arylation reaction of anilides by diaryliodonium salts through systematic theoretical analysis.The previously proposed anti-oxy-cupration mechanism featuring anti- 1,2- or anti- 1,4-addition of cuprate and oxygen to the phenyl ring generating a meta-cuprated intermediate was excluded due to the large activation barriers.Alternatively,a new amide-directed carbocupration mechanism was proposed which involves a critical rate- and regio-determining step of amide-directed addition of the Cu(III)-aryl bond across the phenyl C2=C3 double bond to form an orthocuprated,meta-arylated intermediate.This mechanism is kinetically the most favored among several possible mechanisms such as ortho- or para-cupration/migration mechanism,direct meta C-H bond cleavage mediated by Cu(III) or Cu(I),and Cu(III)-catalyzed ortho-directed C-H bond activation mechanism.Furthermore,the predicted regioselectivity based on this mechanism has been shown to favor the meta-arylation that is consistent with the experimental observations.

  6. Adsorption of chloroacetanilide herbicides on soil and its components Ⅲ. Influence of clay acidity, humic acid coating and herbicide structure on acetanilide herbicide adsorption on homoionic clays

    Institute of Scientific and Technical Information of China (English)


    Adsorption of chloroacetanilide herbicides on homoionic montmorillonite, soil humic acid, and their mixtures was studied by coupling batch equilibration and FT-IR analysis. Adsorption isotherms of acetochlor, alachlor, metolachlor and propachlor on Ca2 + -, Mg2 + -. Al3 + -and Fe3 + -saturated clays were well described by the Freundlich equation. Regardless of the type of exchange cations, Kf decreased in the order of metolachlor > acetolachlor > alachlor > propachlor on the same clay. FT-IR spectra showed that the carbonyl group of the herbicide molecule was involved in binding, probably via H-bond with water molecules in the clay interlayer. The type and position of substitutions around the carbonyl group may have affected the electronegativity of oxygen, thus influencing the relative adsorption of these herbicides. For the same herbicide, adsorption on clay increased in the order of Mg2+ < Ca2+ < Al3+ ≤ Fe3+ which coincided with the iucreasing aciditv of homoionic clays. Acidity of cations may have affected the protonation of water, and thus the strength of H-bond between the clay water and herbicide. Complexation of clay and humic acid resulted in less adsorption than that expected from independent adsorption by the individual constituents. The effect varied with herbicides, but the greatest decrease in adsorption occurred at a 60:40 clay-to-humic acid ratio for all the herbicides. Causes for the decreased adsorption need to be characterized to better understand adsorption mechanisms and predict adsorption from soil compositions.


    Institute of Scientific and Technical Information of China (English)



    The nonlinear quantum vibrational energy spectra of amide-I in the molecular crystals acetanilide are calculatedby using the discrete nonlinear Schrodinger equation appropriate to this kind of crystals. The numerical results obtainedby this method are in good agreement with the experimental values. Meanwhile, the energy levels at high excited stateshave also been obtained for the acetanilide, which is helpful in researching the Raman scattering and infrared absorptionproperties of the this kind of crystals.

  8. The Influence of Additives on Crystallization of Polyvinyl Chloride

    Institute of Scientific and Technical Information of China (English)

    LIU Yaqun; ZHANG Chaocan


    Acetanilide, adipic acid and potassium hydrogen phthalate were chosen as nucleating agents of polyvinyl chloride(PVC), and their effects on PVC crystallization were studied by differential scanning calorimetry, wide angle X-ray diffraction and fourier transform infrared spectroscopy. The experimental results indicate that all of the three additives are compatible with PVC to some extent, but adipic acid's compatibility with PVC is less satisfactory. The three additives can improve PVC crystallinity, and acetanilide can decrease PVC glass transition temperature(Tg)and narrow PVC melting range, while adipic acid and potassium hydrogen phthalate rise Tg of PVC and widen its melting range. All additives do not affect PVC crystal system and all samples are in orthorhombic system. All additives can improve (200), (110), (210) and (201, 111) planes growing. Moreover, acetanilide and adipic acid can shrink PVC spacings and improve the crystal perfection of PVC, but potassium hydrogen phthalate swells spacings and reduces the perfection of PVC crystal.

  9. Rhodium-Catalyzed β-Selective Oxidative Heck-Type Coupling of Vinyl Acetate via C-H Activation. (United States)

    Zhang, Hui-Jun; Lin, Weidong; Su, Feng; Wen, Ting-Bin


    An efficient Rh(III)-catalyzed direct ortho-C-H olefination of acetanilides with vinyl acetate was developed. This protocol provides a straightforward pathway to a series of (E)-2-acetamidostyryl acetates, giving access to indole derivatives following a simple hydrolysis/cyclization process.


    Over the past several years, ethanesulfonic acid (ESA) and oxanilic acid (OA) degradation products of acetanilide/acetamide herbicides have been found in U.S. ground waters and surface waters. The substitution of the sulfonic acid or the carbonic acid for the chlorine atom great...

  11. Phytoremediation of Composition-B Derived TNT and RDX in Herbaceous Plant-vegetated and Bare Lysimeters (United States)


    310A, IAEA 310B, IAEA 305B, IAEA 311. Elemental calibration standards included: acetanilide, BBOT, cystine , methionine, sulfanila- mide...trans- formation of TNT in higher plants. Ecotoxicology Environmental Safety 64: 136- 145. Allen, S. E., H. M. Grimshaw, J. A. Parkinson, and C. Quarmby...ERDC TR-09-10 69 Hawari, J., A. Halasz, S. B. Beaudet, G. Ampleman, and S. Thiboutot. 1999. Biotrans- formation of 2,4,6-trinitrotoluene (TNT

  12. Photoinduced intramolecular substitution reaction of aryl halide with carbonyl oxygen of amide group

    CERN Document Server

    Park, Y T; Kim, M S; Kwon, J H


    Photoreaction of N-(o-halophenyl)acetamide in basic acetonitrile produces an intramolecular substituted product, 2-methylbenzoxazole in addition to reduced product, acetanilide, whereas photoreaction of N-(o-halobenzyl)acetamide affords a reduced product, N-benzylacetamide only. On the basis of preparative reaction, kinetics, and UV/vis absorption behavior, an electrophilic aromatic substitution of aryl halide with oxygen of its amide bond are proposed.

  13. Preparo da para-cloroanilina: um experimento simples, rápido e barato Preparation of para-cloroanilina: a simple, fast and inexpensive experiment

    Directory of Open Access Journals (Sweden)

    Renato Saldanha Bastos


    Full Text Available Experiments simple, short and efficient for experimental disciplines in undergraduate courses in Chemistry are an excellent opportunity for students to consolidate the learning of theoretical concepts in classical chemical transformations. The use of a safe reagent, of low cost and easy access is the motivation for this communication, that describes the use of trichloroisocyanuric acid - a chlorinating agent used in the treatment of swimming pool water - for the chlorination of acetanilide, an intermediate in the preparation of para-chloroaniline.

  14. Selectivity of peptide bond dissociation on excitation of a core electron: Effects of a phenyl group (United States)

    Tsai, Cheng-Cheng; Chen, Jien-Lian; Hu, Wei-Ping; Lin, Yi-Shiue; Lin, Huei-Ru; Lee, Tsai-Yun; Lee, Yuan T.; Ni, Chi-Kung; Liu, Chen-Lin


    The selective dissociation of a peptide bond upon excitation of a core electron in acetanilide and N-benzylacetamide was investigated. The total-ion-yield near-edge X-ray absorption fine structure spectra were recorded and compared with the predictions from time-dependent density functional theory. The branching ratios for the dissociation of a peptide bond are observed as 16-34% which is quite significant. This study explores the core-excitation, the X-ray photodissociation pathways, and the theoretical explanation of the NEXAFS spectra of organic molecules containing both a peptide bond and a phenyl group.

  15. Mechanism of inhibitory action of the local anaesthetic trimecaine on the growth of algae (Chlorella vulgaris). (United States)

    Sersen, F; Král'ová, K


    Using the model compound trimecaine, it was found that algicidal effects exhibited by the local anaesthetics of the acetanilide type were caused by two different mechanisms. The first inhibitory mechanism occurring at low concentrations of the anaesthetic is connected with the uncoupling of the photophosphorylations in algal chloroplasts and is accompanied by the enhancement of the oxygen evolving rate in algal photosynthesis. The second mechanism of inhibition of the photosynthesis in algae, taking place at higher concentrations of the anaesthetic, is connected with the damaging of the manganese containing protein on the donor side of photosystem 2 and is accompanied by a decrease of the oxygen evolving rate in algal photosynthesis.

  16. The effect of tailor-made additives on crystal growth of methyl paraben: Experiments and modelling (United States)

    Cai, Zhihui; Liu, Yong; Song, Yang; Guan, Guoqiang; Jiang, Yanbin


    In this study, methyl paraben (MP) was selected as the model component, and acetaminophen (APAP), p-methyl acetanilide (PMAA) and acetanilide (ACET), which share the similar molecular structure as MP, were selected as the three tailor-made additives to study the effect of tailor-made additives on the crystal growth of MP. HPLC results indicated that the MP crystals induced by the three additives contained MP only. Photographs of the single crystals prepared indicated that the morphology of the MP crystals was greatly changed by the additives, but PXRD and single crystal diffraction results illustrated that the MP crystals were the same polymorph only with different crystal habits, and no new crystal form was found compared with other references. To investigate the effect of the additives on the crystal growth, the interaction between additives and facets was discussed in detail using the DFT methods and MD simulations. The results showed that APAP, PMAA and ACET would be selectively adsorbed on the growth surfaces of the crystal facets, which induced the change in MP crystal habits.

  17. Carbon nitride supported copper nanoparticles: light-induced electronic effect of the support for triazole synthesis (United States)

    Nandi, Debkumar; Taher, Abu; Ul Islam, Rafique; Siwal, Samarjeet; Choudhary, Meenakshi; Mallick, Kaushik


    The composite framework of graphitic carbon nitride (gCN) supported copper nanoparticle can act as a high-performance photoreactor for the synthesis of 1,2,3-triazole derivatives under light irradiation in the absence of alkaline condition. The photoactivity of gCN originates from an electron transition from the valence band to the conduction band, in the presence of photon energy, and the hot electron acts as a scavenger of the terminal proton of the alkyne molecule to facilitate the formation of copper acetanilide complex. In this study, we have performed the experiment under a different photonic environment, including dark condition, and in the presence and absence of base. A comparative study was also executed using Cu-TiO2 system, as a reference material, in the support of our proposed mechanism. The recycling performance and the photocorrosion effect of the catalyst have also been reported in this study.

  18. Evaluation of butachlor for control of some submerged macrophytes along with its impact on biotic components of freshwater system

    Directory of Open Access Journals (Sweden)

    A. Chattopadhyay, S. Adhikari, S. P. Adhikary, S. Ayyappan


    Full Text Available In this investigation, the efficacy of the herbicide butachlor, (N-butoxymethyl-2 chloro-21, 61 diethyl acetanilide was tested against few common submerged macrophytes namely Hydrilla (Hydrilla verticillata (L. Royale, Najas (Najas minor All., Nechamandra (Nechamandra alternifolia (Roxb. Thwaites and Ottelia (Ottelia alismoides (L. Pers. of freshwater fish ponds. Almost complete decay of Hydrilla, Nechamandra and Ottelia was achieved at 7.5 L of active ingredient/ha/m butachlor within 15 days while the herbicide showed no negative effect on Najas. However at the same concentration of butachlor, total mortality of zooplankton and water fern Azolla (Azolla caroliniana Lamarck occurred within seven days. In case of few freshwater fish species like Rohu (Labeo rohita, Channa (Channa punctatus, Anabas (Anabas testitudineus and Heteropneustes (Heteropneustes fossilis, total mortality occurred upto 90 days after application of the same dose of butachlor but fish survived beyond 120 days of herbicide application indicating degradation of the herbicides.

  19. Hybrid chemistry. Part 4: Discovery of etravirine-VRX-480773 hybrids as potent HIV-1 non-nucleoside reverse transcriptase inhibitors. (United States)

    Wan, Zheng-Yong; Tao, Yuan; Wang, Ya-Feng; Mao, Tian-Qi; Yin, Hong; Chen, Fen-Er; Piao, Hu-Ri; De Clercq, Erik; Daelemans, Dirk; Pannecouque, Christophe


    A novel series of etravirine-VRX-480773 hybrids were designed using structure-guided molecular hybridization strategy and fusing the pharmacophore templates of etravirine and VRX-480773. The anti-HIV-1 activity and cytotoxicity was evaluated in MT-4 cell cultures. The most active hybrid compound in this series, N-(2-chlorophenyl)-2-((4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl)thio)acetamide 3d (EC50=0.24 , SI>1225), was more potent than delavirdine (EC50=0.66 μM, SI>67) in the anti-HIV-1 in vitro cellular assay. Studies of structure-activity relationships established a correlation between anti-HIV activity and the substitution pattern of the acetanilide group.

  20. Influence of electropolishing and anodic oxidation on morphology, chemical composition and corrosion resistance of niobium

    Energy Technology Data Exchange (ETDEWEB)

    Sowa, Maciej; Greń, Katarzyna [Faculty of Chemistry, Silesian University of Technology, B. Krzywoustego Street 6, 44-100 Gliwice (Poland); Kukharenko, Andrey I. [Institute of Metal Physics, Russian Academy of Sciences-Ural Division, S. Kovalevskoi Street 18, 620990 Yekaterinburg (Russian Federation); Ural Federal University, Mira Street 19, 620002 Yekaterinburg, Mira str. 19 (Russian Federation); Korotin, Danila M. [Institute of Metal Physics, Russian Academy of Sciences-Ural Division, S. Kovalevskoi Street 18, 620990 Yekaterinburg (Russian Federation); Michalska, Joanna [Faculty of Materials Engineering and Metallurgy, Silesian University of Technology, Krasińskiego Street 8, 40-019 Katowice (Poland); Szyk-Warszyńska, Lilianna; Mosiałek, Michał [Jerzy Haber Institute of Catalysis and Surface Chemistry PAS, Niezapominajek Street 8, 30-239 Kraków (Poland); Żak, Jerzy [Faculty of Chemistry, Silesian University of Technology, B. Krzywoustego Street 6, 44-100 Gliwice (Poland); Pamuła, Elżbieta [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Mickiewicza Avenue 30, 30-059 Kraków (Poland); Kurmaev, Ernst Z. [Institute of Metal Physics, Russian Academy of Sciences-Ural Division, S. Kovalevskoi Street 18, 620990 Yekaterinburg (Russian Federation); Cholakh, Seif O. [Ural Federal University, Mira Street 19, 620002 Yekaterinburg, Mira str. 19 (Russian Federation); Simka, Wojciech, E-mail: [Faculty of Chemistry, Silesian University of Technology, B. Krzywoustego Street 6, 44-100 Gliwice (Poland)


    The work presents results of the studies performed on electropolishing of pure niobium in a bath that contained: sulphuric acid, hydrofluoric acid, ethylene glycol and acetanilide. After the electropolishing, the specimens were subjected to anodic passivation in a 1 mol dm{sup −3} phosphoric acid solution at various voltages. The surface morphology, thickness, roughness and chemical composition of the resulting oxide layers were analysed. Thusly prepared niobium samples were additionally investigated in terms of their corrosion resistance in Ringer's solution. The electropolished niobium surface was determined to be smooth and lustrous. The anodisation led to the growth of barrier-like oxide layers, which were enriched in phosphorus species. - Highlights: • Pure niobium was electropolished and subsequently anodised in a H{sub 3}PO{sub 4} solution. • Phosphorus was successfully introduced into the oxide layers after the treatment. • Corrosion resistance of niobium in Ringer's solution was improved after anodising.

  1. Effects of alachlor on the early development and induction of estrogen-responsive genes in Medaka, Oryzias latipes

    Energy Technology Data Exchange (ETDEWEB)

    Lee, C.; Ryu, J.; Park, S.Y.; Choi, K.; Jeon, S.H.; Na, J.G.; Rhee, D.G. [National Inst. of Environmental Research, Incheon (Korea)


    Alachlor is an acetanilide herbicide used to control annual grasses and weeds in field corn, soybeans, and peanuts. It is a selective systemic herbicide, absorbed by germinating shoots and by roots. Although the specific pathways are not exactly understood, the acetanilide herbicides apparently interfere with several physiological processes including biosynthesis of lipids, proteins and flavonoids. These herbicides are widely used in agriculture and are commonly detected in surface water and groundwater. Alachlor has a relatively low acute toxicity, however, repeated exposure has been reported to cause hepatotoxicity, irreversible uveal degeneration and tumour formation in some animals. Besides alachlor is one of the herbicides reported to have endocrine disrupting effects. 2,4-D, 2,4,5-T, amitrole and atrazine also belong to these types of herbicides. Alachlor is a strongly suspected endocrine disruptor in that it is listed by EPA and the World Wildlife Fund [WWF] as a potential endocrine disrupting chemical. Many mammalian and aquatic toxicological studies with alachlor were performed under the conditions of acute, subacute and chronic experiment. However, not many studies using fish have been carried out with the purpose of screening and testing of endocrine disrupting effects of alachlor. The purpose of this study was to determine the effects of alachlor on the early morphological development of medaka (Oryzias latipes). Embryonic growth, deformation and hatching success were determined to see the effects of this chemical. Also, we tried to measure the estrogenic activity of alachlor using the ELISA and RT-PCR methods. By using these techniques, we evaluated the induction of the estrogen-responsive genes, vitellogenin (precursor of yolk protein) and choriogenin (precursor of egg envelope protein) in male medaka exposed to alachlor.

  2. High performance liquid chromatography of substituted aromatics with the metal-organic framework MIL-100(Fe): Mechanism analysis and model-based prediction. (United States)

    Qin, Weiwei; Silvestre, Martin Eduardo; Li, Yongli; Franzreb, Matthias


    Metal-organic framework (MOF) MIL-100(Fe) with well-defined thickness was homogenously coated onto the outer surface of magnetic microparticles via a liquid-phase epitaxy method. The as-synthesized MIL-100(Fe) was used as stationary phase for high-performance liquid chromatography (HPLC) and separations of two groups of mixed aromatic hydrocarbons (toluene, styrene and p-xylene; acetanilide, 2-nirtoaniline and 1-naphthylamine) using methanol/water as mobile phase were performed to evaluate its performance. Increasing water content of the mobile phase composition can greatly improve the separations on the expense of a longer elution time. Stepwise elution significantly shortens the elution time of acetanilide, 2-nirtoaniline and 1-naphthylamine mixtures, while still achieving a baseline separation. Combining the experimental results and in-depth modeling using a recently developed chromatographic software (ChromX), adsorption equilibrium parameters, including the affinities and maximum capacities, for each analyte toward the MIL-100(Fe) are obtained. In addition, the pore diffusivity of aromatic hydrocarbons within MIL-100(Fe) was determined to be 5×10(-12)m(2)s(-1). While the affinities of MIL-100(Fe) toward the analyte molecules differs much, the maximum capacities of the analytes are in a narrow range with q*MOFmax,toluene=3.55molL(-1), q*MOFmax,styrene or p-xylene=3.53molL(-1), and q*MOFmax,anilines=3.12molL(-1) corresponding to approximately 842 toluene and 838 styrene or p-xylene, and 740 aniline molecules per MIL-100(Fe) unit cell, respectively.

  3. Effects of the agrochemicals butachlor, pretilachlor and isoprothiolane on rat liver xenobiotic-metabolizing enzymes. (United States)

    Ishizuka, M; Iwata, H; Kazusaka, A; Hatakeyama, S; Fujita, S


    1. The herbicides butachlor (2-chloro-2',6',diethyl-N-[buthoxymethyl] acetanilide) and pretilachlor (2-chloro-2',6'-diethyl-N-[2-propoxyethyl] acetanilide) are widely used in Asia, South America, Europe and Africa. Isoprothiolane (diisopropyl-1,3-dithiolan-2-ylidenemalonate) is used as a fungicide and an insecticide in rice paddies. We administered these agrochemicals to the male rat and examined their effects on cytochrome P450 (P450), glutathione S-transferase (GST), UDP-glucuronosyltransferase (UDPGT), and NAD(P)H-quinone oxidoreductase 1 (NQO1)-related metabolism in the liver. 2. Administration of isoprothiolane, butachlor or pretilachlor to rat induced hepatic P4502B subfamily-dependent enzyme activities (pentoxyresorufin O-depentylation and testosterone 16 beta-hydroxylation) up to 271-413% of control, which coincided with the increase in expression levels of the P4502B apoprotein. 3. Activities of GST toward 1-chloro-2,4-nitrobenzene and 3,4-dichloronitrobenzene were slightly induced (127-133% of control) in the liver of the rat treated with these pesticides. On the other hand, marked elevations of UDPGT activities toward p-nitrophenol (164-281% of control) were observed. NQO1-related metabolism (menadione reductase activity) was also induced (123-176% of control) in the liver of rat treated with these agrochemicals. 4. These results indicate that some of the agrochemicals currently in use are capable of inducing phase I and II xenobiotic-metabolizing enzyme activities in an isozyme selective manner. The induction of these activities may disrupt normal physiologic functions related to these enzymes in exposed animals.

  4. Biodegradation of Aged Residues of Atrazine and Alachlor in a Mix-Load Site Soil by Fungal Enzymes

    Directory of Open Access Journals (Sweden)

    Anastasia E. M. Chirnside


    Full Text Available Soils from bulk pesticide mixing and loading (mix-load sites are often contaminated with a complex mixture of pesticides, herbicides, and other organic compounds used in pesticide formulations that limits the success of remediation efforts. Therefore, there is a need to find remediation strategies that can successfully clean up these mix-load site soils. This paper examined the degradation of atrazine (2-chloro-4-ethylamino-6-isopropylamino-S-triazine; AT and alachlor (2-chloro-2, 6-diethyl-N-[methoxymethyl]-acetanilide in contaminated mix-load site soil utilizing an extracellular fungal enzyme solution derived from the white rot fungus, Phanerochaete chrysosporium, grown in a packed bed bioreactor. Thirty-two percent of AT and 54% of AL were transformed in the biometers. The pseudo first-order rate constant for AT and AL biodegradation was 0.0882 d−1 and 0.2504 d−1, respectively. The half-life (1/2 for AT and AL was 8.0 and 3.0 days, respectively. Compared to AT, the initial disappearance of AL proceeded at a faster rate and resulted in a greater amount of AL transformed. Based on the net Co2 evolved from the biometers, about 4% of the AT and AL initially present in the soil was completely mineralized.

  5. Modelling active sites for the Beckmann rearrangement reaction in boron-containing zeolites and their interaction with probe molecules. (United States)

    Lezcano-González, Inés; Vidal-Moya, Alejandro; Boronat, Mercedes; Blasco, Teresa; Corma, Avelino


    Theoretical calculations and in situ solid state NMR spectroscopy have been combined to get insight on the nature of the active sites for the Beckmann rearrangement reaction in borosilicate zeolites. The interaction of a B site in zeolite Beta with a series of probe molecules (ammonia, pyridine, acetone and water) has been modelled and the (15)N and (11)B NMR isotropic chemical shift of the resulting complexes calculated and compared with experimental in situ NMR results. This approach has allowed validation of the methodology to model the adsorption on a zeolite boron site of molecules of varying basicity which are either protonated or non-protonated. The limitation is that theoretical calculations overestimate the effect of molecular adsorption through hydrogen bonds on the calculated isotropic (11)B NMR chemical shift.Theoretical and experimental results on the adsorption of acetophenone and cyclohexanone oximes on zeolite B-Beta indicate that Brønsted acid sites protonate the oximes, changing the boron coordination from trigonal to tetrahedral. Comparison of theoretical and experimental (15)N NMR chemical shifts of the adsorbed amides (acetanilide and epsilon-caprolactam) indicates that they are non-protonated, and the (11)B NMR spectra show that, as expected, boron remains in trigonal coordination with an isotropic delta(11)B(exp) which differs from the calculated value delta(11)B(calc).

  6. The mechanism and properties of bio-photon emission and absorption in protein molecules in living systems (United States)

    Pang, Xiao-feng


    The mechanism and properties of bio-photon emission and absorption in bio-tissues were studied using Pang's theory of bio-energy transport, in which the energy spectra of protein molecules are obtained from the discrete dynamic equation. From the energy spectra, it was determined that the protein molecules could both radiate and absorb bio-photons with wavelengths of collagen, bovine serum albumin, the protein-like molecule acetanilide, plasma, and a person's finger, and the laser-Raman spectra of acidity I-type collagen in the lungs of a mouse, and metabolically active Escherichia coli. We further elucidated the mechanism responsible for the non-thermal biological effects produced by the infrared light absorbed by the bio-tissues, using the above results. No temperature rise was observed; instead, the absorbed infrared light promoted the vibrations of amides as well the transport of the bio-energy from one place to other in the protein molecules, which changed their conformations. These experimental results, therefore, not only confirmed the validity of the mechanism of bio-photon emission, and the newly developed theory of bio-energy transport mentioned above, but also explained the mechanism and properties of the non-thermal biological effects produced by the absorption of infrared light by the living systems.

  7. Multichromic Bis-Axially Extended Perylene Chromophore with Schiff Bases: Synthesis, Characterization and Electrochemical Studies. (United States)

    Shabir, Ghulam; Saeed, Aamer; Arshad, Muhammad; Zahid, Muhammad


    In the present paper a novel way of symmetric conjugation extension along molecular axes of perylene dianhydride chromophore has been devised to achieve lengthy delocalized electronic species exhibiting red shifted absorption and emission of UV-Visible radiations. During synthetic pathway free amino Schiff bases of novel aldehydes with 4-amino acetanilide have been condensed with perylene dianhydride in quinoline at high temperature. Bis perylene diimide Schiff bases (5a-e) have been synthesized which showed absorption λmax at 461-526 nm and emission at 525-550 nm. Structures of newly obtained compounds have been confirmed by (1)H and (13)C-NMR studies. Cyclic voltammetric analysis of these dyes exhibited oxidation and reduction peaks which provide indirect evidence for their potential utility as n-type material for sensitization of semiconductors in solar cells. LUMO and HOMO energy levels were found in the range of -4.21 to -5.20 and -6.75 to -7.57 eV, respectively. Graphical Abstract Multi chromic bis-axially extended perylene chromophore with Schiff bases, synthesis characterization and electrochemical studies. Ghulam Shabir, Aamer Saeed, Muhammad Arshad and Muhammad Zahid.

  8. Removal of organic compounds from water via cloud-point extraction with permethyl hydroxypropyl-[beta]-cyclodextrin

    Energy Technology Data Exchange (ETDEWEB)

    Warner-Schmid, D.; Hoshi, Suwaru; Armstrong, D.W. (Univ. of Missouri, Rolla (United States))


    Aqueous solutions of nonionic surfactants are known to undergo phase separations at elevated temperatures. This phenomenon is known as clouding,' and the temperature at which it occurs is refereed to as the cloud point. Permethylhydroxypropyl-[beta]-cyclodextrin (PMHP-[beta]-CD) was synthesized and aqueous solutions containing it were found to undergo similar cloud-point behavior. Factors that affect the phase separation of PMHP-[beta]-CD were investigated. Subsequently, the cloud-point extractions of several aromatic compounds (i.e., acetanilide, aniline, 2,2[prime]-dihydroxybiphenyl, N-methylaniline, 2-naphthol, o-nitroaniline, m-nitroaniline, p-nitroaniline, nitrobenzene, o-nitrophenol, m-nitrophenol, p-nitrophenol, 4-phenazophenol, 3-phenylphenol, and 2-phenylbenzimidazole) from dilute aqueous solution were evaluated. Although the extraction efficiency of the compounds varied, most can be quantitatively extracted if sufficient PMHP-[beta]-CD is used. For those few compounds that are not extracted (e.g., o-nitroacetanilide), the cloud-point procedure may be an effective one-step isolation or purification method. 18 refs., 2 figs., 3 tabs.

  9. Formation of Carbamate Anions by the Gas-phase Reaction of Anilide Ions with CO2. (United States)

    Liu, Chongming; Nishshanka, Upul; Attygalle, Athula B


    The anilide anion (m/z 92) generated directly from aniline, or indirectly as a fragmentation product of deprotonated acetanilide, captures CO2 readily to form the carbamate anion (m/z 136) in the collision cell, when CO2 is used as the collision gas in a tandem-quadrupole mass spectrometer. The gas-phase affinity of the anilide ion to CO2 is significantly higher than that of the phenoxide anion (m/z 93), which adds to CO2 only very sluggishly. Our results suggest that the efficacy of CO2 capture depends on the natural charge density on the nitrogen atom, and relative nucleophilicity of the anilide anion. Generally, conjugate bases generated from aniline derivatives with proton affinities (PA) less than 350 kcal/mol do not tend to add CO2 to form gaseous carbamate ions. For example, the anion generated from p-methoxyaniline (PA = 367 kcal/mol) reacts significantly faster than that obtained from p-nitroaniline (PA = 343 kcal/mol). Although deprotonated p-aminobenzoic acid adds very poorly because the negative charge is now located primarily on the carboxylate group, it reacts more efficiently with CO2 if the carboxyl group is esterified. Moreover, mixture of CO2 and He as the collision gas was found to afford more efficient adduct formation than CO2 alone, or as mixtures made with nitrogen or argon, because helium acts as an effective "cooling" gas and reduces the internal energy of reactant ions.

  10. Decadal-scale changes of pesticides in ground water of the United States, 1993-2003 (United States)

    Bexfield, L.M.


    Pesticide data for ground water sampled across the United States between 1993-1995 and 2001-2003 by the U.S. Geological Survey National Water-Quality Assessment Program were evaluated for trends in detection frequency and concentration. The data analysis evaluated samples collected from a total of 362 wells located in 12 local well networks characterizing shallow ground water in agricultural areas and six local well networks characterizing the drinking water resource in areas of variable land use. Each well network was sampled once during 1993-1995 and once during 2001-2003. The networks provide an overview of conditions across a wide range of hydrogeologic settings and in major agricultural areas that vary in dominant crop type and pesticide use. Of about 80 pesticide compounds analyzed, only six compounds were detected in ground water from at least 10 wells during both sampling events. These compounds were the triazine herbicides atrazine, simazine, and prometon; the acetanilide herbicide metolachlor; the urea herbicide tebuthiuron; and an atrazine degradate, deethylatrazine (DEA). Observed concentrations of these compounds generally were Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

  11. Assessment of pesticide contamination in soil samples from an intensive horticulture area, using ultrasonic extraction and gas chromatography-mass spectrometry. (United States)

    Gonçalves, C; Alpendurada, M F


    In order to reduce the amount of sample to be collected and the time consumed in the analytical process, a broad range of analytes should be preferably considered in the same analytical procedure. A suitable methodology for pesticide residue analysis in soil samples was developed based on ultrasonic extraction (USE) and gas chromatography-mass spectrometry (GC-MS). For this study, different classes of pesticides were selected, both recent and old persistent molecules: parent compounds and degradation products, namely organochlorine, organophosphorous and pyrethroid insecticides, triazine and acetanilide herbicides and other miscellaneous pesticides. Pesticide residues could be detected in the low- to sub-ppb range (0.05-7.0mugkg(-1)) with good precision (7.5-20.5%, average 13.7% R.S.D.) and extraction efficiency (69-118%, average 88%) for the great majority of analytes. This methodology has been applied in a monitoring program of soil samples from an intensive horticulture area in Póvoa de Varzim, North of Portugal. The pesticides detected in four sampling programs (2001/2002) were the following: lindane, dieldrin, endosulfan, endosulfan sulfate, 4,4'-DDE, 4,4'-DDD, atrazine, desethylatrazine, alachlor, dimethoate, chlorpyrifos, pendimethalin, procymidone and chlorfenvinphos. Pesticide contamination was investigated at three depths and in different soil and crop types to assess the influence of soil characteristics and trends over time.

  12. Photodegradation of acetochlor in water and UV photoproducts identified by mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    ZHENG He-hui; YE Chang-ming


    The sunlight photodegradation half-lives of 20 mg/L acetochlor were 151, 154 and 169 days in de-ionized water, river water and paddy water, respectively. When exposed to ultraviolet (UV) light, acetochlor in aqueous solution was rapidly degraded. The half-lives were 7.1, 10.1, and 11. 5 min in de-ionized water, river water and paddy water, respectively. Photoproducts of acetochlor were identified by gas chromatography/mass spectrometry(GC/MS) and found at least twelve photoproducts resulted from dechlorination with subsequent hydroxylation and cyclization processes. The chemical structures of ten photoproducts were presumed on the basis of mass spectrum interpretation and literature data. Photoproducts are identified as 2-ethyl-6-methylaniline; N, N-diethylaniline; 4,8-dimethyl-2-oxo-1, 2, 3,4- tetrahydroquinoline; 2-oxo-N-(2-ethyl-6-methylphenyl)-N-(ethoxymethyl) acetamide; N-(ethoxymethyl)-2′-ethyl-6′-methylformanilide; 1-hydroxyacetyl-2-ethoxyl-7-ethylind ole; 8-ethyl-1-ethoxymethyl-2-oxo-1, 2, 3, 4-tetrahydroquinoline; 4, 8-dimethyl-1-ethoxymethyl-2-oxo-1, 2, 3, 4-tetrahydroquinoline; 2-hydroxy-2′-ethyl-6′-methyl-N-(ethoxymethyl) acetanilide and a compound related to acetochlor. The other two photoproducts were detected by GC/MS although their chemical structure was unknown.

  13. Conformers and non-covalent interactions studied by laser spectroscopies and ab initio calculations

    CERN Document Server

    Ullrich, S


    The model peptides, formanilide and acetanilide, and their weakly bound complexes were studied in the gas-phase using resonance enhanced multi-photon ionisation (REMPI) and zero electron kinetic energy (ZEKE) photoelectron spectroscopy. Both, cis- and trans-isomers of formanilide, were observed under molecular beam conditions. Trans-formanilide displayed predominantly in-plane vibrational excitation indicative of a planar geometry with modest geometry changes upon excitation and ionisation. In cis-formanilide the side-chain is twisted compared to the phenyl plane in the S sub 0 state, but planar in the S sub 1 and D sub 0 states, revealed in characteristic side-chain torsional and out-of-plane bending excitations. Additionally, the ZEKE spectra provide evidence that excess cationic charge is delocalised from the aromatic ring to the side chain. The work on trans-formanilide was extended to its van der Waals complex with Argon with the purpose of investigating the torsional potential of the side-chain and prob...

  14. Monitoring impact of mefenacet treatment on soil microbial communities by PCR-DGGE fingerprinting and conventional testing procedures

    Institute of Scientific and Technical Information of China (English)


    The effect of acetanilide herbicide mefenacet on soil microbial communities was studied using paddy soil samples with different short-term treatments. The culturable bacteria (plate counts), dehydrogenase activity and changes in community structure(denaturing gradient gel electrophoresis (DGGE) analysis) were used for biological community assessments. Mefenacet was a significant stimulus to cultural aerobic bacteria and dehydrogenase activity while Sphingobacterium multivorum Y1, a bacterium efficiently degrading the mefenacet, only induced the increasing colony-forming unit (CFU) of bacteria but little effect on dehydrogenase activity during the whole experiment. The degree of similarity between the 16S rDNA profiles of the communities was quantified by numerically analyzing the DGGE band patterns. Similarity dendrograms showed that the microbial community structures of the mefenacet-treated and non-treated soils were not significantly different. But supplement ofS. multivorum Y1 could increase the diversity of the microbial community in the mefenacet-polluted paddy soil. This work is a new attempt to apply the S. multivorum Y1for remediation of the mefenacet-polluted environments.

  15. Dielectric behaviour of some amides and formamides dissolved in nonpolar solvents under static electric field

    Indian Academy of Sciences (India)

    S Sahoo; S K Sit


    Structural and associational aspects of polar amides () like formamide, acetamide, Nmethyl acetamide (NMA), N,N-dimethyl formamide (DMF), N,N-dimethyl acetamide (DMA) and acetanilide dissolved in the nonpolar solvent () benzene or 1,4-dioxan have been estimated from the measured static relative permittivity 0 and high-frequency permittivity ∞ at different weight fractions s of polar solute at 35°C under static electric field using Debye model of polar liquid molecule. The static dipole moments s are compared with s reported from conductivity method and theoretical theos to get exact cal $\\cdot$ theos of the molecules are predicted from the available bond angles and bond moments where difference in electron affinity exists between two adjacent atoms of a polar group due to inductive, mesomeric and electromeric effects in them. Solute–solute molecular association for NMA in benzene and solute–solvent association for other amides are ascertained to arrive at their conformational structures.

  16. Hepatic blood flow determination. A comparison of 99mTc-diethyl-IDA and indocyanine green as hepatic blood flow indicators in man

    DEFF Research Database (Denmark)

    Henriksen, Jens Henrik Sahl; Winkler, K


    99mTc-diethyl-acetanilide-iminodiacetic acid (IDA) was compared with indocyanine green (ICG) as an indicator of hepatic blood flow (HBF). Twelve subjects (8 with cirrhosis, 2 with fatty liver, one with pancreatitis, and one with intestinal angina) were studied during hepatic vein catheterization....... In 9 subjects the HBF measurements (indirect Fick-principle) were within 0.8-1.9 l/min, and no significant difference was observed between the values obtained by ICG and 99mTc-diethyl-IDA (mean 1.24 vs 1.26 l/min, P greater than 0.4). In 2 subjects with cirrhosis very high but almost identical values...... were found with the two indicators. In one subject ICG could not be measured in plasma because of hyperlipidaemia, but HBF was easily determined by 99mTc-diethyl-IDA. The results indicate that 99mTc-diethyl-IDA can be used as an indicator of HBF. This indicator is not superior to ICG in patients...

  17. Persistence of the herbicide butachlor in soil after repeated applications and its effects on soil microbial functional diversity. (United States)

    Fang, Hua; Yu, Yun L; Wang, Xiu G; Chu, Xiao Q; Yang, Xiao E


    Effects of repeated applications of the herbicide butachlor (N-(butoxymethyl)-2-chloro -N-2',6'-dimethyl acetanilide) in soil on its persistence and soil microbial functional diversity were investigated under laboratory conditions. The degradation half-lives of butachlor at the recommended dosage in soil were calculated to be 12.5, 4.5, and 3.2 days for the first, second, and third applications, respectively. Throughout this study, no significant inhibition of the Shannon-Wiener index H' was observed. However, the Simpson index 1/D and McIntosh index U were significantly reduced (P butachlor, and thereafter gradually recovered to a similar level to that of the control soil. A similar variation but faster recovery in 1/D and U was observed after the second and third Butachlor applications. Therefore, repeated applications of butachlor led to more rapid degradation of the herbicide, and more rapid recovery of soil microorganisms. It is concluded that repeated butachlor applications in soil had a temporary or short-term inhibitory effect on soil microbial communities.

  18. Induction of micronuclei and erythrocyte alterations in the catfish Clarias batrachus by 2,4-dichlorophenoxyacetic acid and butachlor. (United States)

    Ateeq, Bushra; Abul farah, M; Niamat Ali, M; Ahmad, Waseem


    The micronucleus test (MNT) in fish erythrocytes has increasingly been used to detect the genotoxic effects of environmental mutagens and its frequency is considered to reflect the genotoxic damage to cells, mainly the chromosomes. Besides, morphologically altered erythrocyte is taken as an index of cytotoxicity. Both parameters were used in the present study by two herbicides, 2,4-dichlorophenoxyacetic acid (2,4-D, in 25, 50 and 75ppm concentrations) and 2-chloro-2,6-diethyl-N-(butoxymethyl) acetanilide (butachlor, in 1, 2 and 2.5ppm concentrations) for genotoxic and cytotoxic endpoints. The study was carried out by an in vivo method on peripheral erythrocytes of catfish Clarias batrachus using multiple sampling times (48, 72 and 96h). Cytogenetic preparations were made by haematoxylin-eosin staining technique. Pycnotic and granular micronuclei (MN) were consistently observed irrespective of chemical tested. A wide range of altered cells was also observed. Echinocytes accompanied by altered nuclei and vacuoles were prominent feature of 2,4-D, whereas, anisochromasia and anisocytosis of erythrocytes were characteristic of butachlor. Increase in MN as well as altered cells frequencies were significant. A positive dose-response relationship in all exposures and sampling times was observed. Herbicides used were found to be genotoxic as well as cytotoxic in this fish. The suitability of the adopted parameters for the screening of the aquatic genotoxicants is discussed.

  19. Detection of DNA damage by alkaline single cell gel electrophoresis in 2,4-dichlorophenoxyacetic-acid- and butachlor-exposed erythrocytes of Clarias batrachus. (United States)

    Ateeq, Bushra; Abul Farah, M; Ahmad, Waseem


    The alkaline single cell gel electrophoresis, also known as comet assay, is a rapid, simple and sensitive technique for measuring DNA strand breaks in individual cells. The present study was undertaken to evaluate the genotoxic potential of two widely used herbicides; 2,4-dichlorophenoxyacetic acid (2,4-D) and 2-chloro-2,6-diethyl-N-(butoxymethyl) acetanilide (butachlor) in erythrocytes of freshwater catfish, Clarias batrachus. Fish were exposed by medium treatment with three sub-lethal concentrations of 2,4-D (25, 50, and 75ppm) and butachlor (1, 2, and 2.5ppm) and alkaline comet assay was performed on nucleated erythrocytes after 48, 72, and 96h. The amount of DNA damage in cells was estimated from comet tail length as the extent of migration of the genetic material. A significant increase in comet tail length indicating DNA damage was observed at all concentrations of both the herbicides compared with control (Pbutachlor (9.28microm). This study confirmed that the comet assay applied on the fish erythrocyte is a useful tool in determining potential genotoxicity of water pollutants and might be appropriate as a part of a monitoring program.

  20. Butachlor inhibits production and oxidation of methane in tropical rice soils under flooded condition. (United States)

    Mohanty, S R; Nayak, D R; Babu, Y J; Adhya, T K


    In laboratory incubation experiments, application of a commercial formulation of the herbicide butachlor (N-butoxymethyl-2-chloro-2',6'-diethyl acetanilide) to three tropical rice soils, widely differing in their physicochemical characteristics, under flooded condition inhibited methane (CH4) production. The inhibitory effect was concentration dependent and most remarkable in the alluvial soil. Thus, following application of butachlor at 5, 10, 50 and 100 microg g(-1) soil, respectively, cumulative CH4 production in the alluvial soil was inhibited by 15%, 31%, 91% and 98% over unamended control. Since CH4 production was less pronounced in the sandy loam and acid sulfate soil, the impact of amendment with butchalor, albeit inhibitory, was less extensive than the alluvial soil. Inhibition of CH4 production in butachlor-amended alluvial soil was related to the prevention in the drop in redox potential as well as low methanogenic bacterial population especially at high concentrations of butachlor. CH4 oxidation was also inhibited in butachlor-amended alluvial soil with the inhibitory effect being more prevalent under flooded condition. Inhibition in CH4 oxidation was related to a reduction in the population of soluble methane monooxygenase producing methanotrophs. Results demonstrate that butachlor, a commonly used herbicide in rice cultivation, even at very low concentrations can affect CH4 production and its oxidation, thereby influencing the biogeochemical cycle of CH4 in flooded rice soils.

  1. Clastogenicity of pentachlorophenol, 2,4-D and butachlor evaluated by Allium root tip test. (United States)

    Ateeq, Bushra; Abul Farah, M; Niamat Ali, M; Ahmad, Waseem


    The meristematic mitotic cells of Allium cepa is an efficient cytogenetic material for chromosome aberration assay on environmental pollutants. For assessing genotoxicity of pentachlorophenol (PCP), 2,4-dichlorophenoxyacetic acid (2,4-D) and 2-chloro-2,6-diethyl-N-(butoxymethyl) acetanilide (butachlor), 50% effective concentration (EC(50)), c-mitosis, stickiness, chromosome breaks and mitotic index (MI) were used as endpoints of genotoxicity. EC(50) values for PCP and butachlor are 0.73 and 5.13 ppm, respectively. 2,4-D evidently induced morphological changes at higher concentrations. Some changes like crochet hooks, c-tumours and broken roots were unique to 2,4-D at 5-20 ppm. No such abnormalities were found in PCP and butachlor treated groups, however, root deteriorated and degenerated at higher concentrations (butachlor it was recorded 71.6%, which is near to the control value. All chemicals induced chromosome aberrations at statistically significant level. The highest chromosome aberration frequency (11.90%) was recorded in PCP at 3 ppm. Large number of c-mitotic anaphases indicated that butachlor acts as potent spindle inhibitor, whereas, breaks, bridges, stickiness and laggards were most frequently found in PCP showing that it is a potent clastogen.

  2. Coupling solid-phase extraction and enzyme-linked immunosorbent assay for ultratrace determination of herbicides in pristine water (United States)

    Aga, D.S.; Thurman, E.M.


    Solid-phase extraction (SPE) and enzyme-linked immunosorbent assay (ELISA) were coupled for automated trace analysis of pristine water samples containing 2-chloro-4-ethylamino-6-isopropylamine-s-triazine (atrazine) and 2-chloro-2???,6???-diethyl-N-(methoxymethyl)acetanilide (alachlor). The isolation of the two herbicides on a C18-resin involved the selection of an elution solvent that both removes interfering substances and is compatible with ELISA. Ethyl acetate was selected as the elution solvent followed by a solvent exchange with methanol/water (20/80, % v/v). The SPE-ELISA method has a detection limit of 5.0 ng/L (5 ppt), >90% recovery, and a relative standard deviation of ??10%. The performance of a microtiter plate-based ELISA and a magnetic particle-based ELISA coupled to SPE was also evaluated. Although the sensitivity of the two ELISA methods was comparable, the precision using magnetic particles was improved considerably (??10% versus ??20%) because of the faster reaction kinetics provided by the magnetic particles. Finally, SPE-ELISA and isotope dilution gas chromatography/ mass spectrometry correlated well (correlation coefficient of 0.96) for lake-water samples. The SPE-ELISA method is simple and may have broader applications for the inexpensive automated analysis of other contaminants in water at trace levels.

  3. Polymer matrices obtained by ionizing radiation for using in controlled drug delivery systems; Matrizes polimericas obtidas mediante radiacao ionizante para sua utilizacao como sistemas de liberacao controlada de farmacos

    Energy Technology Data Exchange (ETDEWEB)

    Martellini, Flavia


    Two kinds of controlled drug delivery system were obtained by gamma radiation induced polymerization. One of the system was obtained from an acrylic derivative of acetaminophen (40-hydroxyacetanilide), by copolymerization of 4-(acryloyloxy) acetanilide and N,N-dimethylacrylamide (DMAA) in dimethylformamide solution with 0,16 kGy/h dose rate and 54 Gy dose. The values of reactivity rate, r-D{sub MAA} = 0,31 {+-} 0,02 e r{sub AOA} -0,07 {+-} 0,12, were determined by Fineman-Ross method. The acetaminophen hydrolysis was carried out in alkaline and enzymatic (trypsin) media. Another kind of drug delivery system studied was solvent controlled type, being the drug immobilized in the hydrogel,. The hydrogels prepared by radiation polymerization of acryloyl-L-propine methylester (A-Pro-OMe) with 10 Gy dose, showed thermosensible property, swelling or shrinking in water with decreased or increased temperatures. The hydrogels were obtained with different crosslink density, trimethylolpropane trimethacrylate, and the monomers N, N-dimethyl acrylamide (DMAA) and 2-cyanoethyl acrylate to study the influence of the composition in the drug delivery rate. It was verified that the porous size besides being a characteristic of the matrix composition, it was also temperature dependent (thermosensible). The analgesic drug acetaminophen was immobilized by entrapment and by physical adsorption into the hydrogels matrices for 'in vitro' study. The insulin was immobilized by adsorption for 'in vivo' study. (author)

  4. Molecular properties and intermolecular forces--factors balancing the effect of carbon surface chemistry in adsorption of organics from dilute aqueous solutions. (United States)

    Terzyk, Artur P


    Presented paper recapitulates the results of 6 years' study concerning the effect of carbon surface chemical composition on adsorption of paracetamol, phenol, acetanilide, and aniline from dilute aqueous solutions on carbons. Adsorption-desorption isotherms, enthalpy, and kinetics of adsorption data are shown for the measurements performed at three temperatures (300, 310, and 320 K) at two pH levels (1.5 and 7) on commercial activated carbons. The data were obtained for four carbons: the initial carbon D43/1 and forms modified by applying concentrated HNO3, fuming H2SO4, and gaseous NH3. The modification procedures do not change the porosity in a drastic way, but lead to drastic changes of the composition of carbon surface layer. By applying MOPAC (a general-purpose semiempirical molecular orbital package), the physicochemical constants characterizing the molecules of adsorbates are calculated, including the distribution of the Mulliken charges, the dipole moments and ionization potentials, and the energies of interaction with the unique positive and negative charges. They are correlated with the parameters characterizing the adsorption (and kinetics) process of studied molecules on the mentioned above carbons. The mechanisms proposed in the literature for the description of adsorption from dilute aqueous solutions are verified, and a general mechanism of adsorption is proposed.

  5. The relationship between constitution and common ecchymosis cupping%拔罐常见瘀斑与体质的关系

    Institute of Scientific and Technical Information of China (English)



    Cupping in China has a long history is a tank as a tool, use of fire, smoke gas etc. method to generate negative pressure, which will tank adsorption on the surface of the body, so that the local skin congestion, but can achieve dredge meridian,qi invigorate the circulation of blood, acetanilide detumescence, dispelling wind and cold therapy. After cupping the skin will appear different degree of reaction, from the color and shape are changed, namely can spot. The appearance of the spot is closely related to the body’s physical health.%拔罐在我国有着悠久的历史,是一种以罐为工具,利用燃火、抽气等方法产生负压,从而将罐吸附在身体表面,使局部皮肤产生淤血,但能达到通经活络、行气活血、消肿止痛、祛风散寒等作用的疗法。拔罐后皮肤会出现不同程度的反应,从颜色和形态上均会发生变化,即通常所说的罐斑。罐斑的出现与人体的体质有着紧密的联系,文章就这一问题进行了阐述。

  6. Whole Genome Sequence Analysis of an Alachlor and Endosulfan Degrading Micrococcus sp. strain 2385 Isolated from Ochlockonee River, Florida (United States)

    Pathak, Ashish; Chauhan, Ashvini; Ewida, Ayman Y.I.; Stothard, Paul


    We recently isolated Micrococcus sp. strain 2385 from Ochlockonee River, Florida and demonstrated potent biodegradative activity against two commonly used pesticides- alachlor [(2-chloro-2`,6`-diethylphenyl-N (methoxymethyl)acetanilide)] and endosulfan [(6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9methano-2,3,4-benzo(e)di-oxathiepin-3-oxide], respectively. To further identify the repertoire of metabolic functions possessed by strain 2385, a draft genome sequence was obtained, assembled, annotated and analyzed. The genome sequence of Micrococcus sp. strain 2385 consisted of 1,460,461,440 bases which assembled into 175 contigs with an N50 contig length of 50,109 bases and a coverage of 600x. The genome size of this strain was estimated at 2,431,226 base pairs with a G+C content of 72.8 and a total number of 2,268 putative genes. RAST annotated a total of 340 subsystems in the genome of strain 2385 along with the presence of 2,177 coding sequences. A genome wide survey indicated that that strain 2385 harbors a plethora of genes to degrade other pollutants including caprolactam, PAHs (such as naphthalene), styrene, toluene and several chloroaromatic compounds. PMID:27672405

  7. Adsorption of chloroacetanilide herbicides on soil I. Structural influence of chloroacetanilide herbicide for their adsorption on soils and its components

    Institute of Scientific and Technical Information of China (English)


    Adsorption of chloroacetanilide herbicide acetochlor,alachlor, metolachlor and propachlor on soils and soil components was determined, and the structural differences of these herbicides were used to explain the order of sorptivity. Adsorption isotherms for all herbicide-soil combinations conformed to the Freundlich equation, and Kf increased with increasing soil organic carbon content. Kd on soil humic acid was greater than that on clay, but association of humic acid with clay reduced the overall adsorption. On all soils and soil humic acids, herbicide adsorption decreased in the order: metolachlor > acetochlor > propachlor > alachlor. On Ca2+-montmorrilonite, the order changed to metolachlor > acetochlor > alachlor > propachlor. FT-IR spectra of herbicide-clay or herbicide-humic acid-clay mixtures showed that H-bonding and charge transfer were the primary interaction pathways between these compounds and the surface of clay or humic acids. The different moieties attached to 2-chloro-acetanilide and their unique arrangement may have influenced the binding mechanisms and thus the sorptivity of these herbicides. This study indicates that the structural difference of pesticides in the same classes may be used as a molecular probe to obtain a better understanding of sorption mechanisms of pesticides on soil.

  8. Synthesis and Anti-inflammatory Activity of Some Novel Pyrazole Derivatives of Gallic Acid

    Directory of Open Access Journals (Sweden)

    S. Arunkumar


    Full Text Available In the present study, a new series of [5-substituted-3-(phenylamino-1H-pyrazol-1yl] (3,4,5-trihydroxyphenyl-methanone (4a-j have been synthesized. 3, 4, 5-Trihydroxy benzohydrazide (1 was synthesized from propyl gallate and hydrazine hydrate in presence of ethanol. Chalcones (2a-j were synthesized from acetanilide and various aromatic aldehydes in presence of ethanol and sodium hydroxide solution. By refluxing the compound (1 and compounds (2a-j in presence of ethanol yielded [5-substituted-3-(phenylamino-4.5-dihydropyrazol-1yl] (3,4,5-trihydroxy phenyl-methanone (3a-j. The final compounds [5-substituted-3-(phenylamino-1H-pyrazol-1yl] (3,4,5-trihydroxyphenyl-methanone (4a-j were synthesized by treating compounds (3a-j with bromine water. The synthesized compounds have been characterized by IR, 1HNMR and Mass spectral data. The compounds were evaluated for in vivo anti-inflammatory activity by carrageenan induced paw edema test. In general all compounds were found to exhibit good anti-inflammatory activity.

  9. Pesticides in rain in four agricultural watersheds in the United States (United States)

    Vogel, J.R.; Majewski, M.S.; Capel, P.D.


    Rainfall samples were collected during the 2003 and 2004 growing seasons at four agricultural locales across the USA in Maryland, Indiana, Nebraska, and California. The samples were analyzed for 21 insecticides, 18 herbicides, three fungicides, and 40 pesticide degradates. Data from all sites combined show that 7 of the 10 most frequently detected pesticides were herbicides, with atrazine (70%) and metolachlor (83%) detected at every site. Dacthal, acetochlor, simazine, alachlor, and pendimethalin were detected in more than 50% of the samples. Chlorpyrifos, carbaryl, and diazinon were the only insecticides among the 10 most frequently detected compounds. Of the remaining pesticide parent compounds, 18 were detected in fewer than 30% of the samples, and 13 were not detected. The most frequently detected degradates were deethylatrazine; the oxygen analogs (OAs) of the organophosphorus insecticides chlorpyrifos, diazinon, and malathion; and 1-napthol (degradate of carbaryl). Deethylatrazine was detected in nearly 70% of the samples collected in Maryland, Indiana, and Nebraska but was detected only once in California. The OAs of chlorpyrifos and diazinon were detected primarily in California. Degradates of the acetanilide herbicides were rarely detected in rain, indicating that they are not formed in the atmosphere or readily volatilized from soils. Herbicides accounted for 91 to 98% of the total pesticide mass deposited by rain except in California, where insecticides accounted for 61% in 2004. The mass of pesticides deposited by rainfall was estimated to be less than 2% of the total applied in these agricultural areas. Copyright ?? 2008 by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

  10. TRPV1 in brain is involved in acetaminophen-induced antinociception.

    Directory of Open Access Journals (Sweden)

    Christophe Mallet

    Full Text Available BACKGROUND: Acetaminophen, the major active metabolite of acetanilide in man, has become one of the most popular over-the-counter analgesic and antipyretic agents, consumed by millions of people daily. However, its mechanism of action is still a matter of debate. We have previously shown that acetaminophen is further metabolized to N-(4-hydroxyphenyl-5Z,8Z,11Z,14Z -eicosatetraenamide (AM404 by fatty acid amide hydrolase (FAAH in the rat and mouse brain and that this metabolite is a potent activator of transient receptor potential vanilloid 1 (TRPV(1 in vitro. Pharmacological activation of TRPV(1 in the midbrain periaqueductal gray elicits antinociception in rats. It is therefore possible that activation of TRPV(1 in the brain contributes to the analgesic effect of acetaminophen. METHODOLOGY/PRINCIPAL FINDINGS: Here we show that the antinociceptive effect of acetaminophen at an oral dose lacking hypolocomotor activity is absent in FAAH and TRPV(1 knockout mice in the formalin, tail immersion and von Frey tests. This dose of acetaminophen did not affect the global brain contents of prostaglandin E(2 (PGE(2 and endocannabinoids. Intracerebroventricular injection of AM404 produced a TRPV(1-mediated antinociceptive effect in the mouse formalin test. Pharmacological inhibition of TRPV(1 in the brain by intracerebroventricular capsazepine injection abolished the antinociceptive effect of oral acetaminophen in the same test. CONCLUSIONS: This study shows that TRPV(1 in brain is involved in the antinociceptive action of acetaminophen and provides a strategy for developing central nervous system active oral analgesics based on the coexpression of FAAH and TRPV(1 in the brain.

  11. Selective synthesis, structural studies and antitumor evaluation of some novel unsymmetrical 1-hetaryl-4-(2-chloroquinolin-3-ylazines

    Directory of Open Access Journals (Sweden)

    Samir Bondock


    Full Text Available A series of novel unsymmetrical 1-hetaryl-4-(2-chloroquinolin-3-yl azines 4–9 was selectively synthesized in a three-step procedure starting from acetanilide (1. The molecular structures of 4–9 were established by elemental analyses, spectral data, hybrid density functional theory (DFT and time-dependent density functional theory (TD-DFT calculations. Molecular conformation analysis for compounds 4–9, performed using DFT calculations utilizing the energy functional 3-Parameter (Exchange, Lee, Yang and Parr (B3LYP and the full-electron basis set Density Gauss double-zeta with polarization functions (DGDZVP, on the synthesized azines considering the torsion angles (θ1, θ2, θ3 revealed 8 plausible conformers for each compound. Electronic and thermodynamic properties including the dipole moment and the thermodynamic energy values of the Frontier occupied and virtual molecular orbitals, HOMO and LUMO, respectively, were calculated for the most stable conformer for each compound. Furthermore, TD-DFT calculations coupled with the polarizable conductor calculation model (PCM, performed on the most stable conformers in DMF to account for the solvent effect, revealed that the optical properties including λmax and oscillator strength performed on the most stable conformers were in excellent agreement with the experimental λmax and molar extinction coefficient, which clearly validate the most stable molecular conformers identified for compounds 4–9. Comparison of the biological results to the calculated electronic and thermodynamic properties showed that the cytotoxicity is dependent on the low-lying ELUMO because compound 8 has the lowest ELUMO value and exhibited the greatest antitumor activity.

  12. Biodegradation and mineralization of metolachlor and alachlor by Candida xestobii. (United States)

    Munoz, Ana; Koskinen, William C; Cox, Lucía; Sadowsky, Michael J


    Metolachlor (2-chloro-6'-ethyl-N-(2-methoxy-1-methylethyl)aceto-o-toluidide) is a pre-emergent chloroacetanilide herbicide used to control broadleaf and annual grassy weeds in a variety of crops. The S enantiomer, S-metolachlor, is the most effective form for weed control. Although the degradation of metolachlor in soils is thought to occur primarily by microbial activity, little is known about the microorganisms that carry out this process and the mechanisms by which this occurs. This study examined a silty-clay soil (a Luvisol) from Spain, with 10 and 2 year histories of metolachlor and S-metolachlor applications, respectively, for microorganisms that had the ability to degrade this herbicide. Tis paper reports the isolation and characterization of pure cultures of Candida xestobii and Bacillus simplex that have the ability to use metolachlor as a sole source of carbon for growth. Species assignment was confirmed by morphological and biochemical criteria and by sequence analysis of 18S and 16S rRNA, respectively. High-performance liquid chromatography (HPLC) and liquid chromatography-mass spectrometry (LC-MS) analyses indicated that C. xestobii degraded 60% of the added metolachlor after 4 days of growth and converted up to 25% of the compound into CO(2) after 10 days. In contrast, B. simplex biodegraded 30% of metolachlor following 5 days of growth in minimal medium. In contrast, moreover, the yeast degraded other acetanilide compounds and 80% of acetochlor (2-chloro-N-ethoxymethyl-6'-ethylaceto-o-toluidide) and alachlor (2-chloro-2',6'-diethyl-N-methoxymethylacetanilide) were degraded after 15 and 41 h of growth, respectively. The results of these studies indicate that microorganisms comprising two main branches of the tree of life have acquired the ability to degrade the same novel chlorinated herbicide that has been recently added to the biosphere.

  13. 龙血竭联合光热照射治疗宫颈糜烂疗效观察%Observation of the curative effect of dragon's blood combined with optothermal exposure in the treatment of cervical erosion

    Institute of Scientific and Technical Information of China (English)

    张启芬; 陈秋潮; 苏广凤


    目的 探讨龙血竭联合光热照射治疗宫颈糜烂的临床疗效.方法 477例宫颈糜烂患者按数字表法随机分为治疗组277例和对照组200例,对照组采用单纯光热照射治疗,治疗组口服龙血竭片,4片/次,3次/d,联合光热照射治疗,采用x~2检验比较两组治疗效果.结果 治疗组痊愈261例(94.3%),好转11例(3.9%),无效5例(1.8%),总有效率98.2%,与对照组的150例(75.0%)、36例(18.0%)、14例(7.0%)、92.9%比较,差异有统计学意义(x~2=36.4,P<0.01);治疗组术后阴道排液时间明显短于对照组(t=12.5,P<0.01).结论 龙血竭联合光热照射治疗宫颈糜烂疗效好,治愈率高.%Objective To investigate the clinical curative effect of dragon's blood combined with optothermal exposure in the treatment of cervical erosion. Methods 477 cases with cervical erosion were divided into two groups randomly which are 277 cases of the intervention group and 200 cases of the control group. The control group was treated with simplicity light-heat therapies and the intervention group was treated with dragon's blood oral,4 tablets each time ,3 times daily combined with optothermal exposure. The clinical outcome of two therapies were observed and compared. Results Control group :261 cases were cured(94. 3%), 11 cases were improved(3.9%) and 5 cases in vain (1.8%) The curative and total effective rate of the intervention and control group were 94. 3% and 75.0% ,98.2%and 92. 9%, respectively. The effective rate, and the vaginal secretion time and volume after operation have statistical significance (P < 0.05). Conclusion The dragons invigorate blood and exhaust silt, convergent hemostatic, acetanilide detumescence, boils. Combined appicration of light-heat illuminate good curative effect, adverse reaction rate ,less in the treatment of cervical erosion.

  14. Identity and pathogenesis of stomach tumors in Sprague-Dawley rats associated with the dietary administration of butachlor. (United States)

    Hard, G C; Iatropoulos, M J; Thake, D C; Wheeler, D; Tatematsu, M; Hagiwara, A; Williams, G M; Wilson, A G


    Macroscopic stomach tumors induced in Sprague-Dawley rats during two chronic bioassays with the acetanilide herbicide butachlor at a dietary concentration of 3000 ppm, were evaluated histologically and immunohistochemically in order to determine their identity and pathogenesis. The tumors, which occurred primarily in female rats, were a heterogeneous series, including a few consisting wholly or partly of classic solid or anaplastic epithelium, but with the majority containing diffusely distributed primitive neoplastic cells. The latter had either the general appearance of undifferentiated epithelium or presented a more "mesenchyme-like" pattern where the cells were epithelioid, blastema-like, neuroendocrine-like or sarcoma-like with fascicular disposition. Gastric glandular profiles were also present, usually located near the periphery of the tumors, but in some cases extending into the diffuse tumor tissue. Most of the tumors displayed variable immunohistochemical reactivity for cytokeratin, vimentin and neuron-specific enolase but were negative for muscle-specific actin or desmin except in the stromal tracts. Detailed examination of all available gastric tissue revealed the presence of additional microscopic neoplasms and precursor hyperplastic lesions. All of these were typical gastric neuroendocrine cell lesions (gastric carcinoids) originating in the fundic mucosa but occasionally invading submucosally, and consisting of epithelial cells in organized clusters, rosettes or primitive tubules. The enterochromaffin-like (ECL) nature of these microscopic neoplasms and precursor lesions was substantiated by strong immunohistochemical reactivity for cytokeratin, neuron-specific enolase and chromogranin A, and a negative reaction for vimentin. One microscopic tumor showed a transition from differentiated neuroendocrine type in the fundic mucosa to a dispersed "mesenchyme-like" pattern in the submucosal extension. An additional finding in the butachlor-treated male and

  15. Effect of alachlor on hepatic cytochrome P450 enzymes in rats. (United States)

    Hanioka, Nobumitsu; Watanabe, Kayoko; Yoda, Reiko; Ando, Masanori


    Alachlor ((2-chloro-N-methoxymethyl)-N-(2,6-diethylphenyl)acetamide) is a widely used preemergence herbicide which has been classified by the USEPA as a probable human carcinogen. The herbicide has been suggested to be metabolized by hepatic cytochrome P450 system. We examined the effects of alachlor on cytochrome P450 enzymes in rat liver microsomes. Rats were treated intraperitoneally with alachlor daily for 5 days, at doses of 25, 50 and 100 mg/kg. Among the cytochrome P450-dependent monooxygenase activities, 7-pentoxyresorufin O-depentylase, which is associated with CYP2B1, was dose-dependently increased by alachlor. The induction relative to control activity was 1.7-4.2-fold. The activities of CYP1A-dependent monooxygenases such as 7-ethoxy-resorufin O-deethylase and acetanilide 4-hydroxylase were also significantly increased by alachlor at doses of 50 and 100 mg/kg (1.7-2.1-fold). Furthermore, immunoblotting showed that alachlor significantly increased CYP2B1/2 and CYP1A1/2 protein levels by 4.2-6.3- and 1.8-fold, respectively. Although 7-ethoxycoumarin O-deethylase, bufuralol 1'-hydroxylase and 4-nitrophenol 2-hydroxylase activities were significantly increased by alachlor at higher doses (> or = 50 mg/kg), the induction ratios were less than 1.6-fold. The activities of other cytochrome P450-dependent monooxygenases, namely testosterone 7 alpha-hydroxylase, testosterone 2 alpha-hydroxylase, testosterone 6 beta-hydroxylase and lauric acid omega-hydroxylase, were not affected by alachlor at any dose. In addition, there was no significant change in the protein levels of CYP2C11/6, CYP2D1, CYP2E1, CYP3A2/1 and CYP4A1/2/3. These results suggest that alachlor selectively induces cytochrome P450 isoforms of the CYP1A and CYP2B subfamilies in rat liver microsomes, and that the expression of these isoforms is closely related to the toxicity of alachlor.

  16. 紫荆皮在古籍消肿止痛类外敷方中的应用%Application of Cercis Chinensis Bunge in Detumescence Analgesic External Application of Ancient Books

    Institute of Scientific and Technical Information of China (English)

    丁亮; 诸方受; 王培民; 范竞


    Objective;To discuss the cercis chinensis bunge in detumescence analgesic external application of ancient books. Methods: 154 pieces of TCM decoction were collected through Excel2003 statistical software from Yuan Dynasty to the period of Republic of China medicine ancient books of TCM external application. A total of 44 prescriptions in these 154 pieces were established the database,which contained the herbs dosages,usages and names,and then they were analysed their law,compatibility and function. Results:The cercis chinensis bunge in acetanilide detumescence external treatment of the party to dosage ranged 2 qian to 5 liang. Its usage was mainly that powder of cercis chinensis bunge combined other drugs mixed with the ginger juice,the onion juice and the wine attached in the affected part. Compatibility with the order of the top 12 frequency for content in order as A. Dahurica,root of doubleteeth pubescent angelica,angelica,frankincense,myrrh,etc. Cercis chinensis bunge was used in the promotion qi and blood circulation,adjusting qi and elimination pain. Conclusion:Cercis chinensis bunge with various drug compatibility has a certain clinical significance in the treatment of swelling and painhas .%目的 观察紫荆皮在古籍中消肿止痛类外敷方中的运用规律及作用.方法 通过Excel2003软件统计出从元代到民国期间的古籍中共154首治疗肿痛的中药外敷方,其中含有紫荆皮的共44方,并建立数据库,收录含有紫荆皮的每首中药外敷方紫荆皮的剂量、用法、单味药药名,分析其规律、配伍及作用.结果 紫荆皮在消肿止痛类外敷方中的用量范围在2钱到5两,用法主要是将紫荆皮与配用诸药研为细末,等分,然后以姜汁、葱汁、或酒汁调匀敷贴患处;与其配伍频次前12位的依次为物依次为白芷、独活、当归、乳香、没药等.紫荆皮在消肿止痛类外敷方的主要作用为活血消肿、理气止痛.结论 紫荆皮可与多种药

  17. Clinical Analysis of 12 HIV-infected Patients with Herpes Zoster%HIV感染并发带状疱疹12例临床分析

    Institute of Scientific and Technical Information of China (English)

    张更建; 张信江; 罗显华; 董泽令; 黄健; 陈龙庆; 王磊


    Objective To explore the clinical characteristics of HIV-infected patients with herpes zoster. Methods A retrospective analysis was performed on patients diagnosed as HIV infection with herpes zoster from November 2008 to October 2011 in our hospital. Results There were 12 HIV-infected patients with herpes zoster, male nine cases, female three cases, aged 25 to 58 years, average 35 years old. Eight cases were farmers, one was worker, two cases were individual and the other one was company staff. All the patients had neuropathic pain syndromes, five cases of them paining obviously. Patients were all with the two nerve branches innervating the area except one . 11 cases were cured, the other one was better. There were two cases of HIV patients diagnosed in the first year, four cases in the second year and six cases in the third year. The incidence of HIV increased with year. Conclusion HIV infection complicated with herpes zoster easily. Herpes zoster should be recognized as a marker condition indicating the necessity of screening for HIV. Obviously neuropathic pain and larger scale of rash always occurred in the HIV patients with herpes zoster. The common treatment of HIV patients with herpes zoster were using medicine with antivirus, nerve nutrition, diminishing inflammation acetanilide and enhancing immunologic function, but not glucocorticoid. The treatment alleviated the symptom effectively.%目的 探讨HIV感染者并发带状疱疹的临床特点.方法 回顾性分析2008年11月-2011年10月本科收治的12例HIV感染并发带状疱疹患者的临床资料.结果 男9例,女3例;年龄25~58岁,大于50岁1例.农民8例,工人1例,个体2例,职员1例.11例皮损分布≥2个神经分支支配区,均出现神经痛症状,其中5例疼痛明显.临床治愈11例,好转1例.三年间检出HIV感染并发带状疱疹者分别为2例、4例和6例.结论 HIV感染者易并发带状疱疹,带状疱疹可为HIV感染的首要症状.HIV感染并发带状

  18. Reconnaissance of ground-water quality in the Papio-Missouri River Natural Resources District, eastern Nebraska, July through September 1992 (United States)

    Verstraeten, Ingrid M.; Ellis, M.J.


    A reconnaissance of ground-water quality was conducted in the Papio-Missouri River Natural Resources District of eastern Nebraska. Sixty-one irrigation, municipal, domestic, and industrial wells completed in the principal aquifers--the unconfined Elkhorn, Missouri, and Platte River Valley alluvial aquifers, the upland area alluvial aquifers, and the Dakota aquifer--were selected for water-quality sampling during July, August, and September 1992. Analyses of water samples from the wells included determination of dissolved nitrate as nitrogen and triazine and acetanilide herbicides. Waterquality analyses of a subset of 42 water samples included dissolved solids, major ions, metals, trace elements, and radionuclides. Concentrations of dissolved nitrate as nitrogen in water samples from 2 of 13 wells completed in the upland area alluvial aquifers exceeded the U.S. Environmental Protection Agency Maximum Contaminant Level for drinking water of 10 milligrams per liter. Thirty-nine percent of the dissolved nitrate-as-nitrogen concentrations were less than the detection level of 0.05 milligram per liter. The largest median dissolved nitrate-as-nitrogen concentrations were in water from the upland area alluvial aquifers and the Dakota aquifer. Water from all principal aquifers, except the Dakota aquifer, had detectable concentrations of herbicides. Herbicides detected included alachlor (1 detection), atrazine (13 detections), cyanazine (5 detections), deisopropylatrazine (6 detections), deethylatrazine (9 detections), metolachlor (6 detections), metribuzin (1 detection), prometon (6 detections), and simazine (2 detections). Herbicide concentrations did not exceed U.S. Environmental Protection Agency Maximum Contaminant Levels for drinking water. In areas where the hydraulic gradient favors loss of surface water to ground water, the detection of herbicides in water from wells along the banks of the Platte River indicates that the river could act as a line source of

  19. 中医拔火罐疗法与临床护理观察%Observation of the traditional Chinese medicine cupping therapy and clinical nursing

    Institute of Scientific and Technical Information of China (English)

    周秀玲; 梁凤珍


    中医拔火罐疗法,是祖国医学遗产之一,拔罐法又名“火罐气”“吸筒疗法”,古称“角法”。是以杯罐作工具,借热力排去其中的空气产生负压,将罐吸着于皮肤,造成瘀血现象的一种疗法。在马王堆汉墓出土的帛书《五十二病方》中就有记载,历代中医文献中论述颇多。如《本草纲目拾遗》中说:“罐得火气合于肉,即牢不可脱,……肉上起红晕,罐中有水气出,风寒尽出”这是对拔罐法应用的记载。拔火罐是一种中医外治疗法,这种疗法可以逐寒祛湿、疏通经络、祛除瘀滞、行气活血、消肿止痛、拔毒泻热,具有调整人体的阴阳平衡、解除疲劳、增强体质的功能,从而达到扶正祛邪、治愈疾病的目的。许多疾病都可以采用拔火罐疗法进行治疗。因此,在临床中得到广泛应用。%Chinese medicine cupping therapy, is one of the legacy of Chinese medicine, cupping also known as "gas" and "cupping", cal ed "angle method". Is the jar as a tool, by thermal venting air negative pressure tank, the adsorption on the skin, a phenomenon caused by blood stasis therapy. In the Mawangdui of silk manuscripts unearthed "fifty-two party" were recorded in ancient literature of TCM, there are a lot of discussions. Such as "supplement to compendium of Materia Medica" said: "the tank was anger in meat, which is inseparable from,. . . Red meat, tank with water, cold as wel as "the cupping method records. Cupping is a kind of external therapy of traditional Chinese medicine, this therapy can by cold and dampness, dredge main and col ateral channels, removing blood stasis, promoting circulation of Qi and blood, acetanilide detumescence, Sida Xiere, can adjust the balance of yin and Yang, body lifting fatigue, enhance physical function, so as to achieve the purpose of curing diseases, pathogen. Many diseases can be used cupping therapy. Therefore, widely used in

  20. Biotransformation of pesticides in saturated-zone materials (United States)

    Hoyle, Blythe L.; Arthur, Ellen L.

    Many studies have been conducted to evaluate pesticide contamination of groundwater in the United States, but investigations of pesticide biotransformation in saturated zones are much less numerous than in surface soils. Because results of studies using soils are not directly applicable to the subsurface, the purpose of this paper is to illustrate examples of pesticide biotransformation in saturated-zone materials. Although it must be considered with caution, the US Environmental Protection Agency's (EPA) "Pesticides in Ground Water Database" was used to focus the discussion on the biotransformation potential of dibromoethane (EDB), atrazine, acetanilide herbicides, and aldicarb, all of which have been detected in groundwater in the United States. Results of more than two dozen studies indicate that a biotransformation potential for these pesticides exists in saturated-zone materials, although for any given pesticide substantial differences in biotransformation occurred. These variations were due both to differences in experimental methods and to heterogeneities in the subsurface materials under investigation. However, because biotransformation mechanisms were not well investigated, it is generally not possible to extrapolate predictions of biotransformation potential beyond the specific sites investigated. These results highlight the need to better understand microbial genetic regulation of biotransformation processes so that genetic information may be effectively incorporated into future investigations of biotransformation potential in the subsurface. Résumé De nombreuses études ont été réalisées pour évaluer le degré de pollution des aquifères par les pesticides aux États-Unis, mais les recherches concernant la biotransformation des pesticides dans les eaux souterraines sont beaucoup moins nombreuses que dans les sols. Du fait que les résultats des études concernant les sols ne sont pas directement applicables au milieu souterrain, le propos de cet

  1. Calixarene receptors in the selective separation of alachlor. Characterization of the separated complexes; Receptores calixarenicos en la separacion selectiva de alaclor. Caracterizacion de los complejos separados

    Energy Technology Data Exchange (ETDEWEB)

    Garcia G, M.C


    while 165 h were necessary with H{sub n}bL{sup n} in dilute as concentrate solutions, solvents as chloroform and acetonitrile did not interfere in the formation of the species. At the same time and based on the structure of the reactants and information from the scientific literature related to this particular topic, using the M M3, CONFLEX and MOPAC/PM5/COSMO procedures, we calculated the optimized geometry which rendered the most stable molecular structures of reactants and products, this means those with the lowest minimum energies, the lowest energies of the most stable conformers and the heat of formation of the most stable conformational structures of the calixarene-substrate species. The latter were those formed by hydrogen bonding and {pi}-{pi} interactions. Species formed with H{sub n}bL{sup n} stabilized by hydrogen bonding through CH{sub 2}-Cl interaction of alachlor with OH groups of the calixarenes. Concerning the phosphinoylated calixarenes, the P=O groups immobilize the alachlor by hydrogen bonding with the benzyl of the acetanilide. However, the species formed with alachlor and parents or functionalized calixarenes demanded a second interaction between calixarene phenyl-{pi}-{pi}-benzyl-alachlor to be stabilised. Heat of formation of reactants and products allowed to calculate the heat o reaction associated to the formation of the hosts...guest species, these results were surprising in line with the experimental results. Based on the solution and computational results we synthesized and isolated the calixarene---alachlor complexes in sizeable amounts. The latter were characterized by spectroscopic techniques like IR, UV-Vis, luminescence and elemental analysis. The results from the solution and solid studies of the reagents and products as molar absorption coefficients, the features of the luminescence and IR spectra, luminescence lifetimes and minimum formulae of the isolated complexes are in good agreement with the parameters and tendencies of the

  2. 高效液相色谱法检测肾病综合征患者泼尼松血药浓度及其临床意义%HPLC Determination of Prednisone in Serum of Nephrotic Syndrome and its Clinical Significance

    Institute of Scientific and Technical Information of China (English)

    夏运成; 张旭光; 彭灿辉; 李铮; 彭佑铭


    目的:建立一种高效液相色谱(HPLC)法测定泼尼松(PS)血药浓度的方法,并探讨肾病综合征PS血药浓度与蛋白尿消减关系.方法:以乙酰苯胺为内标,采用HP1100系列高效液相色谱仪,分析柱HPLichrosphere Ca柱(250 mm×4 mm,5 μm);流动相为:甲醇:四氢呋喃:水=25:25:50(V/V),流速为1.0 ml/min;检测波长为240 nm;室温25 ℃.血清标本以甲醇沉淀蛋白.结果:泼尼松浓度与峰面积比值之间的线性关系良好,回归方程为Y=6.84×10-4×-39.4×10-4,相关系数为0.999 93,回收率为98.70%,批间CV3.76%,批内CV2.25%.线性范围:10~500 μg/ml;检测限:5 μg/ml.NS组与对照组比较血液平均SP浓度,差异有统计学意义(P0.05);激素抵抗组与激素敏感组血药浓度比较,抵抗组患者SP血药低于敏感组血药浓度,浓度差异有统计学意义(P<0.05).结论:高效液相色谱法检测SP血药浓度,色谱峰分离良好,无干扰,是一种可靠、便捷的检测血清PS浓度的方法,对监测长期应用泼尼松治疗类疾病和肾病综合征的血药浓度监测(TDM),了解用药个体化差异,规范用药方法,为临床治疗提供科学、合理用药理论依据和重要参考,对药效学研究具有重要临床意义.%Objective: To develop a high - performance liquid chromatography method to determine the concentration of prednisone( PS )in human serum,and to assess the relationship hetween serum concentration of PS and changes in urinary protein.Methods : The HP1100 high performance liquid chromato - graphic( HPLC )system was used.The analytic column was a HP Lichrosphere C8 column( 250 mm ×4 mm,5 μm ).The mobile phase was methanol,tetrahydrofuran and water with the ratio 25: 25: 50 The flow rate was 1.0 ml/min The detective UV wavement was 240 nm The serum samples, added acetanilide as internal standard, deposited down the protein with methanol.Results : The chromatography was good and not interfered by the components of the serum.Good Linearity was

  3. Calixarene receptors in the selective separation of alachlor. Characterization of the separated complexes; Receptores calixarenicos en la separacion selectiva de alaclor. Caracterizacion de los complejos separados

    Energy Technology Data Exchange (ETDEWEB)

    Garcia G, M.C


    while 165 h were necessary with H{sub n}bL{sup n} in dilute as concentrate solutions, solvents as chloroform and acetonitrile did not interfere in the formation of the species. At the same time and based on the structure of the reactants and information from the scientific literature related to this particular topic, using the M M3, CONFLEX and MOPAC/PM5/COSMO procedures, we calculated the optimized geometry which rendered the most stable molecular structures of reactants and products, this means those with the lowest minimum energies, the lowest energies of the most stable conformers and the heat of formation of the most stable conformational structures of the calixarene-substrate species. The latter were those formed by hydrogen bonding and {pi}-{pi} interactions. Species formed with H{sub n}bL{sup n} stabilized by hydrogen bonding through CH{sub 2}-Cl interaction of alachlor with OH groups of the calixarenes. Concerning the phosphinoylated calixarenes, the P=O groups immobilize the alachlor by hydrogen bonding with the benzyl of the acetanilide. However, the species formed with alachlor and parents or functionalized calixarenes demanded a second interaction between calixarene phenyl-{pi}-{pi}-benzyl-alachlor to be stabilised. Heat of formation of reactants and products allowed to calculate the heat o reaction associated to the formation of the hosts...guest species, these results were surprising in line with the experimental results. Based on the solution and computational results we synthesized and isolated the calixarene---alachlor complexes in sizeable amounts. The latter were characterized by spectroscopic techniques like IR, UV-Vis, luminescence and elemental analysis. The results from the solution and solid studies of the reagents and products as molar absorption coefficients, the features of the luminescence and IR spectra, luminescence lifetimes and minimum formulae of the isolated complexes are in good agreement with the parameters and tendencies of the

  4. Toxicology and carcinogenesis studies of a binary mixture of 3,3',4,4',5-pentachlorobiphenyl (PCB 126) (Cas No. 57465-28-8) and 2,3',4,4',5-pentachlorobiphenyl (PCB 118) (Cas No. 31508-00-6) in female Harlan Sprague-Dawley rats (gavage studies). (United States)


    TEQ/kg at 53 weeks. Cytochrome P450 Enzyme Activities: CYP1A1-associated 7-ethoxyresorufin-O-deethylase (EROD) and CYP1A2-associated acetanilide-4-hydroxylase (A4H) activities were evaluated at the 14-, 31-, and 53-week interim evaluations to evaluate the expression of known dioxin-responsive genes. In addition, CYP2B-associated pentoxyresorufin-O-deethylase (PROD) activity was also analyzed. Hepatic and pulmonary EROD (CYP1A1) activity, hepatic A4H (CYP1A2) activity, and hepatic PROD (CYP2B1) activity were significantly greater in all dosed groups compared to the vehicle controls at weeks 14, 31, and 53. Determinations of PCB 126 and PCB 118 Concentrations in Tissues: The tissue disposition of PCB 126 and PCB 118 was analyzed in the liver, lung, fat, and blood of up to 10 rats in each group at the 14-, 31-, and 53-week interim evaluations, except for the 360 ng TEQ/kg group at 53 weeks. The tissue disposition of PCB 126 and PCB 118 was also analyzed in 10 rats per group at the end of the 2-year study in the vehicle control, 7, 22, and 72 ng TEQ/kg core study groups and the 360 ng TEQ/kg stop-exposure group. Detectable concentrations of PCB 126 and PCB 118 were observed in the liver, fat, lung, and blood. The highest levels of PCB 126 were seen in the liver whereas the highest levels of PCB 118 were seen in the fat. In general, tissue concentrations increased with increasing doses of the mixture and increasing duration of exposure. Hepatic levels of PCB 126 and PCB 118 in the 72 ng TEQ/kg group at the end of the 2-year study were 284 ng/g and 3,769 ng/g, respectively. On a TCDD equivalents basis this corresponds to 28 ng TEQ/g and 0.4 ng TEQ/g for PCB 126 and PCB 118, respectively. Cessation of administration of the mixture in the stop-exposure group led to declines in the tissue concentrations of both PCB 126 and PCB 118 to levels comparable to those observed in the 7 ng TEQ/kg group at the end of the 2-year study. Pathology and Statistical Analyses: At 14, 31, and

  5. NTP toxicology and carcinogenesis studies of 3,3',4,4',5-pentachlorobiphenyl (PCB 126) (CAS No. 57465-28-8) in female Harlan Sprague-Dawley rats (Gavage Studies). (United States)


    ENZYME ACTIVITIES: To evaluate the expression of known dioxin-responsive genes, CYP1A1 associated 7-ethoxyresorufin-O-deethylase (EROD) activity and CYP1A2-associated acetanilide 4-hydroxylase (A-4-H) activity were evaluated at the 14-, 31-, and 53-week interim evaluations. In addition, CYP2B associated pentoxyresorufin-O-deethylase (PROD) activity was also analysed. Hepatic PROD (CYP2B1) and hepatic and pulmonary EROD (CYP1A1) activity were significantly greater in all dosed groups than in vehicle controls at weeks 14, 31, and 53. Hepatic A-4-H (CYP1A2) activity was significantly greater in the 30, 100, 175, 300, 550, and 1,000 ng/kg groups compared to vehicle controls at weeks 14, 31, and 53. DETERMINATIONS of PCB 126 CONCENTRATIONS IN TISSUES: The tissue disposition of PCB 126 was analyzed in the liver, lung, fat, and blood of all rats in vehicle controls and all dosed groups at the 14-, 31-, and 53-week interim evaluations and in 10 rats per group including vehicle controls at the end of the 2-year study (104 weeks). Detectable concentrations of PCB 126 were observed in the liver, fat, lung, and blood. Measurable concentrations of PCB 126 were present in the liver and fat at weeks 31, 53, and 104. Hepatic and fat concentrations increased with increasing doses of PCB 126. Measurable concentrations of PCB 126 were present in vehicle control lung tissue at 53 and 104 weeks. No PCB 126 was observed in the blood from the vehicle control rats. Lung and blood concentrations tended to increase with increasing doses of PCB 126, with a few exceptions. In the stop-exposure group, PCB 126 concentrations in liver and fat were lower than the levels observed in the 30 ng/kg group. In the stop-exposure group, lung tissue PCB 126 concentrations were equivalent to the levels observed in the 30 ng/kg group. In blood from the stop-exposure group, PCB 126 concentrations were equivalent to the levels observed in the 100 ng/kg group. PATHOLOGY AND STATISTICAL ANALYSES: Absolute and

  6. Toxicology and carcinogenesis studies of a mixture of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) (Cas No. 1746-01-6), 2,3,4,7,8-pentachlorodibenzofuran (PeCDF) (Cas No. 57117-31-4), and 3,3',4,4',5-pentachlorobiphenyl (PCB 126) (Cas No. 57465-28-8) in female Harlan Sprague-Dawley rats (gavage studies). (United States)


    CDF, and 333 ng/kg PCB 126. Up to 10 rats per group were evaluated at 14, 31, or 53 weeks. Survival of all dosed groups of rats was similar to that of the vehicle control group. Mean body weights of the 22 and 46 ng TEQ/kg groups were less than those of the vehicle control groups after week 69 of the study. Mean body weights of the 100 ng TEQ/kg group were less than those of the vehicle control group after week 37 of the study. Thyroid Hormone Concentrations: Alterations in serum thyroid hormone concentrations were evaluated at the 14-, 31-, and 53-week interim evaluations. At 14, 31, and 53 weeks, there were dose-dependent reductions in total serum and free thyroxine concentrations. There were dose-dependent increases in serum triiodothyronine concentrations at 14 and 31 weeks. No changes in serum thyroid stimulating hormone concentrations were observed at any time point. Hepatic Cell Proliferation Data: To evaluate hepatocyte replication, analysis of labeling of replicating hepatocytes with 5-bromo-2'-deoxyuridine was conducted at the interim evaluations. At 14 weeks, no effects on the hepatocellular labeling index were observed in the dosed groups compared to the vehicle controls. At 31 and 53 weeks, the hepatocellular labeling index was significantly higher in the 46 and 100 ng TEQ/kg groups compared to the vehicle controls. Cytochrome P450 Enzyme Activities: To evaluate the expression of known dioxin-responsive genes, CYP1A1-associated 7-ethoxyresorufin-O-deethylase (EROD) activity and CYP1A2-associated acetanilide-4-hydroxylase (A4H) activity were evaluated at the interim time points. Liver and lung EROD (CYP1A1) activities and hepatic A4H (CYP1A2) activities were significantly greater in all dosed groups than in the vehicle controls at all interim evaluations (14, 31, and 53 weeks). Determinations of TCDD, PeCDF, and PCB 126 Concentrations in Tissues: Tissue concentrations of TCDD, PeCDF, and PCB 126 were analyzed in the fat, liver, lung, and blood at each interim

  7. NTP technical report on the toxicology and carcinogenesis studies of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) (CAS No. 1746-01-6) in female Harlan Sprague-Dawley rats (Gavage Studies). (United States)


    year 2 of the study, and those of 22 ng/kg rats were less than those of the vehicle controls the last 10 weeks of the study. THYROID HORMONE CONCENTRATIONS: Alterations in serum thyroid hormone levels were evaluated at the 14-, 31- and 53-week interim evaluations. At 14 weeks, there were significant decreases in serum total and free thyroxine (T4) levels and increases in serum total triiodothyronine (T3) and thyroid stimulating hormone (TSH). At 31 weeks, there were significant decreases in serum total and free T4 levels and increases in serum total T3 but no significant effect on TSH. At 53 weeks, there were significant decreases in serum total T4 levels and increases in serum total T3. There were no significant effects on total T4 or TSH levels. HEPATIC CELL PROLIFERATION DATA: To evaluate hepatocyte replication, analysis of labeling of replicating hepatocytes with 5-bromo-2'-deoxyuridine was conducted at the 14-, 31-, and 53-week interim evaluations. The hepatocellular labeling index was significantly higher in the 22 ng/kg group compared to vehicle controls at 14 weeks. At the 31-week interim evaluation, the labeling indices in hepatocytes were significantly higher in all dosed groups than in the vehicle controls. At 53 weeks, labeling indices were significantly higher in the 46 and 100 ng/kg groups than in the vehicle controls. CYTOCHROME P450 ENZYME ACTIVITIES: To evaluate the expression of known dioxin-responsive genes, CYP1A1-associated 7-ethoxyresorufin-O-deethylase (EROD) activity and CYP1A2-associated acetanilide-4-hydroxylase (A4H) activity were evaluated at 14, 31, and 53 weeks. In addition, pentoxyresorufin-O-deethylase (PROD) activity was analyzed. Hepatic EROD, PROD, and A4H activities were significantly higher in all dosed groups relative to vehicle controls at the 14-, 31-, and 53-week interim evaluations. Pulmonary EROD was also significantly higher in all dosed groups compared to vehicle controls at 14, 31, and 53 weeks. DETERMINATIONS OF TCDD