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Sample records for 1,4-dioxane

  1. Butallylonal 1,4-dioxane hemisolvate

    Directory of Open Access Journals (Sweden)

    Ulrich J. Griesser

    2010-10-01

    Full Text Available The asymmetric unit of the title compound [systematic name: 5-(1-bromoprop-2-en-1-yl-5-sec-butylpyrimidine-2,4,6-trione 1,4-dioxane hemisolvate], C11H15BrN2O3·0.5C4H8O2, contains one half-molecule of 1,4-dioxane and one molecule of butallylonal, with an almost planar barbiturate ring [largest deviation from the mean plane = 0.049 (5 Å]. The centrosymmetric dioxane molecule adopts a nearly ideal chair conformation. The barbiturate molecules are linked together by an N—H...O hydrogen bond, giving a single-stranded chain. Additionally, each dioxane molecule acts as a bridge between two antiparallel strands of hydrogen-bonded barbiturate molecules via two hydrogen bonds, N—H...O(dioxaneO...H—N. Thus, a ladder structure is obtained, with the connected barbiturate molecules forming the `stiles' and the bridging dioxane molecules the `rungs'.

  2. Urea derivatives on the basis of 6-amino benzo-1.4-dioxan

    International Nuclear Information System (INIS)

    Present work is devoted to urea derivatives on the basis of 6-amino benzo-1.4-dioxan. The results of studies of condensation of 6-amino benzo-1.4-dioxan with urea and its derivatives are given. The new urea derivatives synthesized by fragment of 1.4-dioxan. (author)

  3. Implications of matrix diffusion on 1,4-dioxane persistence at contaminated groundwater sites.

    Science.gov (United States)

    Adamson, David T; de Blanc, Phillip C; Farhat, Shahla K; Newell, Charles J

    2016-08-15

    Management of groundwater sites impacted by 1,4-dioxane can be challenging due to its migration potential and perceived recalcitrance. This study examined the extent to which 1,4-dioxane's persistence was subject to diffusion of mass into and out of lower-permeability zones relative to co-released chlorinated solvents. Two different release scenarios were evaluated within a two-layer aquifer system using an analytical modeling approach. The first scenario simulated a 1,4-dioxane and 1,1,1-TCA source zone where spent solvent was released. The period when 1,4-dioxane was actively loading the low-permeability layer within the source zone was estimated to be solvent source zones, suggesting that back diffusion of 1,4-dioxane mass may be serving as the dominant long-term "secondary source" at many contaminated sites that must be managed using alternative approaches. PMID:27096631

  4. Enhanced decomposition of 1,4-dioxane in water by ozonation under alkaline condition.

    Science.gov (United States)

    Tian, Gui-Peng; Wu, Qian-Yuan; Li, Ang; Wang, Wen-Long; Hu, Hong-Ying

    2014-01-01

    1,4-Dioxane is a probable human carcinogenic and refractory substance that is widely detected in aquatic environments. Traditional wastewater treatment processes, including activated sludge, cannot remove 1,4-dioxane. Removing 1,4-dioxane with a reaction kinetic constant of 0.32 L/(mol·s) by using ozone, a strong oxidant, is difficult. However, under alkaline environment, ozone generates a hydroxyl radical (•OH) that exhibits strong oxidative potential. Thus, the ozonation of 1,4-dioxane in water under different pH conditions was investigated in this study. In neutral solution, with an inlet ozone feed rate of 0.19 mmol/(L·min), the removal efficiency of 1,4-dioxane was 7.6% at 0.5 h, whereas that in alkaline solution was higher (16.3-94.5%) within a pH range of 9-12. However, the removal efficiency of dissolved organic carbon was considerably lower than that of 1,4-dioxane. This result indicates that several persistent intermediates were generated during 1,4-dioxane ozonation. The pseudo first-order reaction further depicted the reaction of 1,4-dioxane. The obvious kinetic constants (kobs) at pH 9, 10, 11 and 12 were 0.94, 2.41, 24.88 and 2610 L/(mol·s), respectively. Scavenger experiments on radical species indicated that •OH played a key role in removing 1,4-dioxane during ozonation under alkaline condition.

  5. Biodegradation Kinetics of 1,4-Dioxane in Chlorinated Solvent Mixtures.

    Science.gov (United States)

    Zhang, Shu; Gedalanga, Phillip B; Mahendra, Shaily

    2016-09-01

    This study investigated the impacts of individual chlorinated solvents and their mixtures on aerobic 1,4-dioxane biodegradation by Pseudonocardia dioxanivorans CB1190. The established association of these co-occurring compounds suggests important considerations for their respective biodegradation processes. Our kinetics and mechanistic studies demonstrated that individual solvents inhibited biodegradation of 1,4-dioxane in the following order: 1,1-dichloroethene (1,1-DCE) > cis-1,2-diochloroethene (cDCE) > trichloroethene (TCE) > 1,1,1-trichloroethane (TCA). The presence of 5 mg L(-1) 1,1-DCE completely inhibited 1,4-dioxane biodegradation. Subsequently, we determined that 1,1-DCE was the strongest inhibitor of 1,4-dioxane biodegradation by bacterial pure cultures exposed to chlorinated solvent mixtures as well as in environmental samples collected from a site contaminated with chlorinated solvents and 1,4-dioxane. Inhibition of 1,4-dioxane biodegradation rates by chlorinated solvents was attributed to delayed ATP production and down-regulation of both 1,4-dioxane monooxygenase (dxmB) and aldehyde dehydrogenase (aldH) genes. Moreover, increasing concentrations of 1,1-DCE and cis-1,2-DCE to 50 mg L(-1) respectively increased 5.0-fold and 3.5-fold the expression of the uspA gene encoding a universal stress protein. In situ natural attenuation or enhanced biodegradation of 1,4-dioxane is being considered for contaminated groundwater and industrial wastewater, so these results will have implications for selecting 1,4-dioxane bioremediation strategies at sites where chlorinated solvents are present as co-contaminants. PMID:27486928

  6. Synthesis and antiinflammatory activity of 6-Acylsubstituted benzo-1,4-dioxanes and dihydrobenzopyrans

    Energy Technology Data Exchange (ETDEWEB)

    Daukshas, V.K.; Brukshtus, A.B.; Gaidyalis, P.G.; Pyatrauskas, O.Yu.; Udrenaite, E.B.

    1986-07-01

    6-Acylsubstituted benzo-1,4-dioxanes and dihydrobenzopyrans were synthesized by the Friedel-Crafts reaction by the acylation of benzo-1,4-dioxane or corresponding dihydrobenzopyran with an acid chloride in the presence of anhydrous AlCl/sub 3/; the ketone was obtained by the hydrogenation of the chalcone using Raney nickel. The antiinflammatory activity was studied on experimental models of carragheen and bentonite edema of the foot of white rats. Results indicate that derivatives of benzo-1,4-dioxane and dihydrobenzopyran of the type studied show promise as antiinflammatory agents.

  7. Low level estimation of 1,4-dioxane in ambient air

    International Nuclear Information System (INIS)

    The chemical, 1,4-dioxane does have much relevance with respect to Indian Nuclear Power Programme for counting of Tritium, which is mainly generated during the operation of nuclear research reactors and power reactors which use heavy water. Tritium analysis is routinely carried out at BARC. The scintillation solutions which are used for tritium counting, consist of mainly 1,4 dioxane and naphthalene along with minor concentration of PPO/POPOP. Each sample analysis generates about 10 ml of tritium contaminated spent scintillation liquid waste. Total generation rate of the waste in a typical PHWR reactor is about 2-3 m3 /year. Controlled incineration of scintillation liquids has been opted at BARC for the treatment of radioactive organic waste. Now that 1,4-dioxane has shown threat to human health and environment, it is important and necessary to know its levels (concentrations) in different environmental compartments to evaluate the risks associated with it. Standard methods are available for the measurement of 1,4-dioxane in air. Higher concentration can be estimated by direct analysis but estimation at lower levels (parts per billion-ppb) requires pre concentration prior to its analysis. Here an improved method that offers increased sensitivity has been used for determining lower levels of 1,4-dioxane. This report presents (1) the development of the methodology for the estimation of 1,4-dioxane at ppb levels using cryogenic pre-concentration and subsequent analysis by Gas Chromatograph with Electron Capture detector (GC-ECD) (2) techniques to check the incineration efficiency and release of 1,4-dioxane to the environment. The data generated by this study could be further used in the evaluation of risk. (author)

  8. Activated Persulfate Treatment of 1,4-Dioxane in the Presence of Chlorinated Solvent Co-contaminants

    Science.gov (United States)

    Boving, T. T.; Eberle, D. E. H.; Ball, R.

    2014-12-01

    1,4-dioxane is an emerging groundwater contaminant and a likely human carcinogen. Due to its history as a stabilizer in chlorinated solvents, 1,4-dioxane is often found as a co-contaminant at solvent releases sites such as landfills, solvent recycling facilities, vapor decreasing operations, and fire-training areas. Historically, 1,4-dioxane was not routinely analyzed for at solvent release sites. The lack of analyses and the limitations of the analyses that were performed (i.e. high reporting limits) means that the scale of 1,4-dioxane subsurface contamination is still emerging. With the number of known 1,4-dioxane sites increasing, the need for cost effective 1,4-dioxane remediation technologies is rising as well. Remediation strategies that are capable of treating both 1,4-dioxane as well as chlorinated co-contaminants are of particular importance, especially when treating mixed-waste source zones. In the present study, we examined the fate of 1,4-dioxane during the targeted remediation of aqueous phase volatile organic compounds (VOC) using an activated persulfate based ISCO method (OxyZone®). Bench scale laboratory experiments are used to evaluate the treatability of 1,4-dioxane both as a single compound and in the presence of trichloroethene (TCE) and 1,1,1-trichloroethane (1,1,1-TCA). Possible dependencies on oxidant concentration and reaction kinetics were studied. Preliminary results are promising and show that OxyZone® is persistent and long lived, with oxidation of 1,4-dioxane continuing more than 12 days after initial dosage, even at dilute oxidant concentrations. The oxidative destruction of 1,4-dioxane, TCE and 1,1,1-TCA in single compound batch systems followed pseudo first order reaction kinetics. The rate of oxidation for each contaminant increased linearly with increasing persulfate concentration over the range of oxidant concentrations tested. The rate of oxidative destruction, from most easily degraded to least was: TCE > 1,4-Dioxane > 1

  9. Peroxone activated persulfate treatment of 1,4-dioxane in the presence of chlorinated solvent co-contaminants.

    Science.gov (United States)

    Eberle, Dylan; Ball, Raymond; Boving, Thomas B

    2016-02-01

    1,4-dioxane is often found as a co-contaminant with chlorinated volatile organic compounds (VOCs) at solvent release sites such as landfills, solvent recycling facilities, or fire training areas. Historically, soil and groundwater samples were not routinely analyzed for 1,4-dioxane and therefore the number of known 1,4-dioxane sites is still increasing. Due to its co-occurrence with chlorinated compounds, remediation strategies are needed that simultaneously treat both 1,4-dioxane as well as chlorinated VOC co-contaminants. In this proof of concept laboratory study, the fate of 1,4-dioxane was examined during the targeted destruction of aqueous phase VOC, using a peroxone activated persulfate (PAP) chemical oxidation method. Bench-scale experiments were carried out to evaluate the treatability of 1,4-dioxane as both a single-contaminant and in the presence of trichloroethene (TCE), and 1,1,1-trichloroethane (1,1,1-TCA). Possible dependencies on oxidant concentration and reaction kinetics were studied. The oxidative destruction of 1,4-dioxane, TCE and 1,1,1-TCA in single-contaminant batch systems followed pseudo-first-order reaction kinetics and even at the most dilute oxidant concentration lasted for at least 13 days. The rate of oxidation for each contaminant increased linearly with increasing persulfate concentration over the range of oxidant concentrations tested. The rate of oxidative destruction, from most easily degraded to least, was: TCE > 1,4-dioxane > 1,1,1-TCA. Oxidation rates were up to 87% slower in a mixture of these three compounds. Although additional tests are necessary, our data suggest that PAP oxidation of 1,4-dioxane might aid in the cleanup of VOC contaminated sites. PMID:26408980

  10. Short-chain grafting of tetrahydrofuran and 1,4-dioxane cycles on vinylchloride-maleic anhydride copolymer

    Directory of Open Access Journals (Sweden)

    2009-01-01

    Full Text Available Mass increase of vinylchloride-maleic anhydride (VC-MA copolymer samples aged in tetrahydrofuran (THF or in 1,4-dioxane results from chemical interaction of VC-MA macromolecules with 1,4-dioxane or THF. Microstructure of the products of such modification was proved by infrared spectroscopy (IR- and nuclear magnetic resonance spectroscopy (13C NMR and 1H NMR. Mechanism of modification has been proposed. The results of microstructure research of VC-MA samples aged in THF and in 1,4-dioxane coincide with already known data on the reactions of opening of these and other oxygen-containing cycles under mild conditions.

  11. Electro–oxidation of industrial wastewater containing 1,4-dioxane in the presence of different salts

    OpenAIRE

    Barndok, Helen; Hermosilla, Daphne; Cortijo, Luis; Torres, Esperanza; Blanco, Ángeles

    2014-01-01

    The treatment of 1,4-dioxane solution by electrochemical oxidation on boron-doped diamond was studied using a central composite design and the response surface methodology to investigate the use of SO42- and HCO3- as supporting electrolytes considering the applied electric current, initial COD value, and treatment time. Two industrial effluents containing bicarbonate alkalinity, one just carrying 1,4-dioxane (S1), and another one including 1,4-dioxane and 2-methyl-1,3-dioxolane (S2), were tre...

  12. Indomethacin solubility estimation in 1,4-dioxane + water mixtures by the extended hildebrand solubility approach

    Directory of Open Access Journals (Sweden)

    Miller A Ruidiaz

    2011-09-01

    Full Text Available Extended Hildebrand Solubility Approach (EHSA was successfully applied to evaluate the solubility of Indomethacin in 1,4-dioxane + water mixtures at 298.15 K. An acceptable correlation-performance of EHSA was found by using a regular polynomial model in order four of the W interaction parameter vs. solubility parameter of the mixtures (overall deviation was 8.9%. Although the mean deviation obtained was similar to that obtained directly by means of an empiric regression of the experimental solubility vs. mixtures solubility parameters, the advantages of EHSA are evident because it requires physicochemical properties easily available for drugs.

  13. Experimental and Theoretical Investigation of Valence Orbitals in 1,4-Dioxane by Electron momentum Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    YANG Tie-Cheng; NING Chuan-Gang; SU Guo-Lin; DENG Jing-Kang; ZHANG Shu-Feng; REN Xue-Guang; HUANG Yan-Ru

    2006-01-01

    @@ The binding energy spectrum of all valence orbitals and the momentum distributions of highest occupied molecular orbital (HOMO: 8ag), 7bu + 7ag, 4bu, 2bg + 4ag and 2au in 1, 4-dioxane are investigated by electron momentum spectroscopy (EMS) with 600 e V impact energy. The experimental results are consistent with theoretical calculations of C2h chair conformation using the Hartree-Fock method and density functional theory with 6-311++G**and A UG-CC-PVTZ basis sets.

  14. Elastic scattering of low-energy electrons by 1,4-dioxane

    Science.gov (United States)

    Barbosa, Alessandra Souza; Bettega, Márcio H. F.

    2014-05-01

    We report calculated cross sections for elastic collisions of low-energy-electrons with 1,4-dioxane. Our calculations employed the Schwinger multichannel method with pseudopotentials and were carried out in the static-exchange and static-exchange plus polarization approximations for energies up to 30 eV. Our results show the presence of three shape resonances belonging to the Bu, Au, and Bg symmetries and located at 7.0 eV, 8.4 eV, and 9.8 eV, respectively. We also report the presence of a Ramsauer-Townsend minimum located at around 0.05 eV. We compare our calculated cross sections with experimental data and R-matrix and independent atom model along with the additivity rule corrected by using screening coefficients theoretical results for 1,4-dioxane obtained by Palihawadana et al. [J. Chem. Phys. 139, 014308 (2013)]. The agreement between the present and the R-matrix theoretical calculations of Palihawadana et al. is relatively good at energies below 10 eV. Our calculated differential cross sections agree well with the experimental data, showing only some discrepancies at higher energies.

  15. Improvement of Lithium Interface Stability with 1,4-dioxane Pretreatment

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    1,4-dioxane (DOA) was originally used to pretreat the lithium metal electrode in order to improve its interface stability. Electrochemical impedance spectra (EIS) measurements reveal that with DOA pretreatment, lithium electrode has a low and stable interracial resistance during the storage in electrolyte for a long time. And it is also found that the pretreated lithium electrode has an improved inteffacial performance in repeated charge/discharge cycles. Furthermore, it is proved by SEM that the pretreated one has smooth morphology after long-time storage or repeated charge/discharge cycles. Consequentially, because of more stable interface characteristics of lithium electrode, the rechargeable lithium cell with DOA pretreated lithium anode has an obviously enhanced discharging performance and a better cycleability, compared with that of the cell using the untreated lithium anode.

  16. SYNTHESIS AND POLYMERIZATION OF 2-OXO-3-METHYLENE-5,6-DIPHENYL-1,4-DIOXAN

    Institute of Scientific and Technical Information of China (English)

    FENG Pinzhen; LU Jiantao

    1994-01-01

    A new cyclic monomer, 2-oxo-3-methylene-5, 6-diphenyl-1,4-dioxan, was synthesized. The structure of the intermediates and the monomer were determined by IR,1H NMR,13C NMR and elemental analysis. This new monomer is different from other cyclic monomers in this series,it is a solid (mp 108-109℃)and not very reactive,but still can undergo free radical ring-opening polymerization. The free radical polymerization was carried out at 130℃. The structure of the resulting polymer was discussed and charaterized by IR, 1H NMR, 13C NMR and elemental analysis. The molecular weight of the polymer was estimated by viscosity determination.

  17. INHIBITORY ACTIVITY OF PROTECTED EDIBLE PLANTS ON OXIDATIVE STRESS INDUCED BY ORAL 1,4-DIOXANE.

    Science.gov (United States)

    Mnaa, Said; Shaker, Emad S; Mahmoud, Hemdan I

    2016-04-01

    1,4-Dioxane (DX) with two oxygen atoms make it hydrophilic and infinitely soluble in water. As a synthetic organic compound, it used widely throughout industry as a solvent. Dioxane causes numerous human ailments such as liver damage and kidney failure. It has been shown in research to be carcinogenic to animals, and is a potential carcinogen to humans. Daily administration for 1,4-dioxane (100 mg/kg body weight) in drinking water for rats weighing 120 g, except for normal control group. Experimental animal for 42 days was followed through body weight, serum alkaline phosphatase, serum creatinine, malondialdehyde, and catalase enzyme activity; beside histological patterns for liver, kidney, brain and ovary sections. Protection treatment has been offered using oral injection N-acetyl cysteine (100 mg/kg b.wt.), and fresh 200 mg/kg b.wt. in diet meal for each of nabk, husk, and sycamore in separated groups. Body weight and CAT activity have decreased by 25.8, and 68.7%, respectively. While increase has found in MDA, ALP and creatinine values by 76, 48.9, and 67.3%, respectively. NAC showed improvement especially for MDA peroxidation marker and creatinine for kidney disorder. On the other hand, nabk improved CAT activity and husk for ALP liver mutagenicity marker. Intoxicated DX showed edema, kupffer cell activation, atrophy of glomerular tuft, and necrosis of neurons in liver, kidney and brain sections. Obviously nabk showed highly improvement in liver toxicity which is the most sensitive organ to DX as found in research. PMID:27363050

  18. Advanced Electrochemical Oxidation of 1,4-Dioxane via Dark Catalysis by Novel Titanium Dioxide (TiO2) Pellets.

    Science.gov (United States)

    Jasmann, Jeramy R; Borch, Thomas; Sale, Tom C; Blotevogel, Jens

    2016-08-16

    1,4-dioxane is an emerging groundwater contaminant with significant regulatory implications. Because it is resistant to traditional groundwater treatments, remediation of 1,4-dioxane is often limited to costly ex situ UV-based advanced oxidation. By varying applied voltage, electrical conductivity, seepage velocity, and influent contaminant concentration in flow-through reactors, we show that electrochemical oxidation is a viable technology for in situ and ex situ treatment of 1,4-dioxane under a wide range of environmental conditions. Using novel titanium dioxide (TiO2) pellets, we demonstrate for the first time that this prominent catalyst can be activated in the dark even when electrically insulated from the electrodes. TiO2-catalyzed reactors achieved efficiencies of greater than 97% degradation of 1,4-dioxane, up to 4.6 times higher than noncatalyzed electrolytic reactors. However, the greatest catalytic enhancement (70% degradation versus no degradation without catalysis) was observed in low-ionic-strength water, where conventional electrochemical approaches notoriously fail. The TiO2 pellet's dark-catalytic oxidation activity was confirmed on the pharmaceutical lamotrigine and the industrial solvent chlorobenzene, signifying that electrocatalytic treatment has tremendous potential as a transformative remediation technology for persistent organic pollutants in groundwater and other aqueous environments. PMID:27420906

  19. Kinetics and energy efficiency for the degradation of 1,4-dioxane by electro-peroxone process

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Huijiao; Bakheet, Belal; Yuan, Shi; Li, Xiang; Yu, Gang [School of Environment, Tsinghua University, Beijing 100084 (China); Murayama, Seiichi [Power and Industrial Systems R& D Center, Toshiba Corporation, Fuchu-shi, Tokyo (Japan); Wang, Yujue, E-mail: wangyujue@tsinghua.edu.cn [School of Environment, Tsinghua University, Beijing 100084 (China)

    2015-08-30

    Highlights: • E-peroxone couples electrolysis with ozonation to driven peroxone reaction for pollutant degradation. • Significant amounts of ·OH can be efficiently produced in the E-peroxone process. • E-peroxone greatly enhances 1,4-dioxane degradation kinetics compared with ozonation and electrolysis. • E-peroxone consumes less energy for 1,4-dioxane mineralization than ozonation and electrolysis. • E-peroxone offers a cost-effective and energy-efficient alternative to degrade 1,4-dioxane. - Abstract: Degradation of 1,4-dioxane by ozonation, electrolysis, and their combined electro-peroxone (E-peroxone) process was investigated. The E-peroxone process used a carbon-polytetrafluorethylene cathode to electrocatalytically convert O{sub 2} in the sparged ozone generator effluent (O{sub 2} and O{sub 3} gas mixture) to H{sub 2}O{sub 2}. The electro-generated H{sub 2}O{sub 2} then react with sparged O{sub 3} to yield aqueous ·OH, which can in turn oxidize pollutants rapidly in the bulk solution. Using p-chlorobenzoic acid as ·OH probe, the pseudo-steady concentration of ·OH was determined to be ∼0.744 × 10{sup −9} mM in the E-peroxone process, which is approximately 10 and 186 times of that in ozonation and electrolysis using a Pt anode. Thanks to its higher ·OH concentration, the E-peroxone process eliminated 96.6% total organic carbon (TOC) from a 1,4-dioxane solution after 2 h treatment with a specific energy consumption (SEC) of 0.376 kWh g{sup −1} TOC{sub removed}. In comparison, ozonation and electrolysis using a boron-doped diamond anode removed only ∼6.1% and 26.9% TOC with SEC of 2.43 and 0.558 kWh g{sup −1} TOC{sub removed}, respectively. The results indicate that the E-peroxone process can significantly improve the kinetics and energy efficiency for 1,4-dioxane mineralization as compared to the two individual processes. The E-peroxone process may thus offer a highly effective and energy-efficient alternative to treat 1,4-dioxane

  20. Near infrared cavity enhanced absorption spectra of atmospherically relevant ether-1, 4-Dioxane

    Science.gov (United States)

    Chandran, Satheesh; Varma, Ravi

    2016-01-01

    1, 4-Dioxane (DX) is a commonly found ether in industrially polluted atmosphere. The near infrared absorption spectra of this compound has been recorded in the region 5900-8230 cm- 1 with a resolution of 0.08 cm- 1 using a novel Fourier transform incoherent broadband cavity-enhanced absorption spectrometer (FT-IBBCEAS). All recorded spectra were found to contain regions that are only weakly perturbed. The possible combinations of fundamental modes and their overtone bands corresponding to selected regions in the measured spectra are tabulated. Two interesting spectral regions were identified as 5900-6400 cm- 1 and 8100-8230 cm- 1. No significant spectral interference due to presence of water vapor was observed suggesting the suitability of these spectral signatures for spectroscopic in situ detection of DX. The technique employed here is much more sensitive than standard Fourier transform spectrometer measurements on account of long effective path length achieved. Hence significant enhancement of weaker absorption lines above the noise level was observed as demonstrated by comparison with an available measurement from database.

  1. (2,2′-Bipyridine-κ2N,N′dichloridopalladium(II 1,4-dioxane hemisolvate

    Directory of Open Access Journals (Sweden)

    Ricardo Alfredo Gutiérrez Márquez

    2014-06-01

    Full Text Available The asymmetric unit of the title compound, [PdCl2(C10H8N2]·0.5C4H8O2, consists of one PdII complex molecule and a half-molecule of 1,4-dioxane, the complete molecule being generated by inversion symmetry. The PdII atom has an almost square-planar coordination formed by the 2,2′-bipyridine ligand and two chloride ligands. Two intramolecular C—H...Cl hydrogen bonds occur. In the crystal, the PdII complex and 1,4-dioxane molecules are connected by C—H...O hydrogen bonds, forming a layer parallel to (10-1. Within the layer, weak π–π interactions [centroid–centroid distance = 3.817 (4 Å] are observed between the pyridine rings.

  2. In vitro BALB/3T3 cell transformation assay of nonoxynol-9 and 1,4-dioxane

    Energy Technology Data Exchange (ETDEWEB)

    Sheu, C.W.; Moreland, F.M.; Lee, J.K.; Dunkel, V.C.

    1988-01-01

    The spermicidal surfactant nonoxynol-9 (Igepal CO-630, GAF Corp.) and a potential impurity, 1,4-dioxane, were tested in the in vitro cell transformation assay using BALB/3T3 cells. Two treatment periods, 48 hr and 13 days, were used. Nonoxynol-9, tested at levels up to 10 /sup +/g/ml, did not induce transformation, whereas dioxane was very active in the induction type II foci in the cultured BALB/3T3 cells.

  3. Neutron Scattering of Residual Hydrogen in 1,4-Dioxane-D8 Liquid. Understanding Measurements with Molecular Dynamics Simulations

    Energy Technology Data Exchange (ETDEWEB)

    de Almeida, Valmor F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Liu, Hongjun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Herwig, Kenneth W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kidder, Michelle [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-01-25

    That incoherent scattering from protiated molecular liquids adds a constant background to the measured scattering intensity is well known, but less appreciated is the fact that coherent scattering is also induced by the presence of hydrogen in a deuterated liquid. In fact, the scattering intensity can be very sensitive, in the small-q region, with respect to the amounts and distribution of residual H in the system. We used 1,4-dioxane liquid to demonstrate that the partial structure factors of the HD and DD atom pairs contribute significantly to inter-molecular scattering and that uncertainty in the extent of deuteration account for discrepancies between simulations and measurements. Both contributions to uncertainty have similar magnitudes: scattering interference of the hydrogen-deuterium pair, and complementary interference from the deuterium-deuterium pair by virtue of chemical inhomogeneity. This situation arises in practice since deuteration of liquids is often 99% or less. A combined experimental and extensive computational study of static thermal neutron scattering of 1,4-dioxane demonstrates the foregoing. We show, through simulations, that the reason for the differences is the content of protiated dioxane (vendors quote 1%). We estimate that up to 5% (at 298K and at 343K) protiated mole fraction may be involved in generating the scattering differences. Finally, we find that the particular distribution of hydrogen in the protiated molecules affects the results significantly; here we considered molecules to be either fully protiated or fully deuterated. This scenario best reconciles the computational and experimental results, and leads us to speculate that the deuteration synthesis process tends to leave a molecule either fully deuterated or fully protiated. Although we have used 1,4-dioxane as a model liquid, the effects described in this study extend to similar liquids and similar systematic experimental/computational studies can be performed to either

  4. Physico-chemical and excess thermodynamic properties of methanol & ethanol with 1, 4-dioxane at 308 K

    Science.gov (United States)

    Bedare, G. R.; Bhandakkar, V. D.; Suryavanshi, B. M.

    2012-12-01

    The molecular interaction studies in the binary liquid mixtures of two aliphatic alcohols with 1, 4-dioxane has been carried out at 308 K using ultrasonic technique. Using measured values of ultrasonic velocity, density and viscosity, acoustical parameters such as adiabatic compressibility, free volume, free length and their excess values like VfE, ßaE, LfE are evaluated. From the properties of these excess parameters, the nature and the strength of interactions in these binary systems are discussed. It has been observed that, weak dispersive type intermolecular interactions are confirmed in the systems investigated. Dipole inducement is found to be more predominant in methanol system.

  5. Acoustical Studies of Some Schiff Bases in 1,4-Dioxane and Dimethylformamide at 318.15 K

    Institute of Scientific and Technical Information of China (English)

    BALUJA Shipra

    2006-01-01

    From experimental data of density, viscosity and ultrasonic velocity, the various acoustical properties, such as specific impedance (Z), isentropic compressibility (κs), Rao's molar sound function (Rm), the van der Waals constant (b), molar compressibility (W), intermolecular free length (Lf), relaxation strength (r), internal pressure (π),free volume (Vf), solvation number (Sn) etc., were calculated for three Schiff bases in 1,4-dioxane and dimethylformamide (DMF) at 318.15 K. The results are interpreted in terms of molecular interactions occurring in the solutions.

  6. PERFORMANCE ANALYSIS OF 1,4 DIOXANE-ETHANOL-DIESEL BLENDS ON DIESEL ENGINES WITH AND WITHOUT THERMAL BARRIER COATING

    Directory of Open Access Journals (Sweden)

    Chockalingam Sundar Raj

    2010-01-01

    Full Text Available 1,4 dioxane, a new additive allows the splash blending of ethanol in diesel in a clear solution. The objective of this investigation is to first create a stable ethanol-diesel blended fuel with 10% 1,4 dioxane additive, and then to generate performance, combustion and emissions data for evaluation of different ethanol content on a single cylinder diesel engine with and without thermal barrier coating. Results show improved performance with blends compared to neat fuel for all conditions of the engine. Drastic reduction in smoke density is found with the blends as compared to neat diesel and the reduction is still better for coated engine. NOx emissions were found to be high for coated engines than the normal engine for the blends. The oxygen enriched fuel increases the peak pressure and rate of pressure rise with increase in ethanol ratio and is still superior for coated engine. Heat release pattern shows higher premixed combustion rate with the blends. Longer ignition delay and shorter combustion duration are found with all blends than neat diesel fuel.

  7. Experimental and theoretical analysis of the kinetics of the reaction of atomic bromine with 1,4-dioxane.

    Science.gov (United States)

    Giri, Binod Raj; Roscoe, John M; González-García, Núria; Olzmann, Matthias

    2010-01-14

    The rate coefficient for the reaction of atomic bromine with 1,4-dioxane was measured from approximately 300 to 340 K using the relative rate method. Iso-octane and iso-butane were used as reference compounds, and the experiments were made in a bath of argon containing up to 210 Torr of O(2) at total pressures between 200 and 820 Torr. The rate coefficients were not affected by changes in pressure or O(2) concentration over our range of experimental conditions. The ratios of rate coefficients for the reaction of dioxane relative to the reference compound were put on an absolute basis by using the published absolute rate coefficients for the reference reactions. The variation of the experimentally determined rate coefficients with temperature for the reaction of Br with 1,4-dioxane can be given by k(1)(exp)(T) = (1.4 +/- 1.0) x 10(-11)exp[-23.0 +/- 1.8) kJ mol(-1)/(RT)] cm(3) molecule(-1) s(-1). We rationalized our experimental results in terms of transition state theory with molecular data from quantum chemical calculations. Molecular geometries and frequencies were obtained from MP2/aug-cc-pVDZ calculations, and single-point energies of the stationary points were obtained at CCSD(T)/CBS level of theory. The calculations indicate that the 1,4-dioxane + Br reaction proceeds in an overall endothermic addition-elimination mechanism via a number of intermediates. The rate-determining step is a chair-to-boat conformational change of the Br-dioxane adduct. The calculated rate coefficients, given by k(1)(calc)(T) = 5.6 x 10(-11)exp[-26.6 kJ mol(-1)/(RT)] cm(3) molecule(-1) s(-1), are in very good agreement with the experimental values. Comparison with results reported for the reactions of Br with other ethers suggests that this multistep mechanism differs significantly from that for abstraction of hydrogen from other ethers by atomic bromine. PMID:19848396

  8. Compatibility and thermal studies of blends of PMMA 350000 in 1,4-dioxane by ultrasonic technique

    Science.gov (United States)

    Padmanaban, R.; Girivel, S.; Venkatramanan, K.

    2016-05-01

    The scientific and commercial progress in the area of polymer blends during the past two decades has been tremendous and was driven by the realization that new molecules are not always required to meet the needs of new materials and that blending can usually be implemented to meet the needs of new materials more rapidly and economically than the development of new chemistry. In the present study, activation energy of Poly(methyl methacrylate) (molar mass 350000) in 1,4-Dioxane is determined using viscometry technique. PMMA 350000 is blended with PS 35000 and the miscibility nature of the blend is analysed by ultrasonic velocity, density, viscosity and refractive index techniques at 303K. Molecular interaction properties of the blend is also discussed.

  9. Thermodynamics of the complexation between salicylaldehyde thiosemicarbazone with Cu2+ ion in methanol +1,4-dioxane binary solutions

    Directory of Open Access Journals (Sweden)

    Biswas Rashmidipta

    2014-01-01

    Full Text Available The complexation reaction between salicylaldehyde thiosemicarbazone, abbreviated as STSC, with Cu2+ ion was studied in the binary mixtures of methanol + 1,4-dioxane binary by using UV-Visible spectrophotometric and conductometric methods at different temperatures. The formation constants (Kf for the 1:1 complex, Cu2+-STSC, were calculated from computer fitting of the absorbance and molar conductance data against various mole ratios (cM:cL or cL:cM in different binary solvent mixtures. A non-linear correlation was observed for the variation of logKf for the complex against the solvent compositions. Various thermodynamic parameters (ΔH, ΔS and ΔG for the formation of Cu2+-STSC complex were also determined from the temperature dependence of the stability constants (Kf. The results showed that the complexation reaction is affected by the nature and composition of the mixed solvents.

  10. Synthesis of Novel Homo-N-Nucleoside Analogs Composed of a Homo-1,4-Dioxane Sugar Analog and Substituted 1,3,5-Triazine Base Equivalents

    Directory of Open Access Journals (Sweden)

    Qiang Yu

    2008-12-01

    Full Text Available Enantioselective syntheses from dimethyl tartrate of 1,3,5-triazine homo-N-nucleoside analogs, containing a 1,4-dioxane moiety replacing the sugar unit in natural nucleosides, were accomplished. The triazine heterocycle in the nucleoside analogs was further substituted with combinations of NH2, OH and Cl in the 2,4-triazine positions.

  11. The Natural Activation Ability of Subsurface Media During In-Situ Chemical Oxidation of 1,4-Dioxane

    Science.gov (United States)

    Yan, N.; Brusseau, M. L. L.; Zhong, H.; Li, M.

    2015-12-01

    The ability of soils and sediments to produce in-situ activation of persulfate was investigated for treatment of 1,4-dioxane (dioxane). Experiments were conducted with both batch-reactor and column systems to examine reaction rates and activation mechanisms. Four soils and aquifer sediments were used. ICP-MS, SEM-EDS, and XRD analyses were used to characterize geochemical properties. For the batch experiments, degradation of dioxane was significantly greater in the presence of each of the four subsurface geomedia compared to the controls with no geomedia. This indicates that all four geomedia induced persulfate activation. The use of a binary oxidant system, with the addition of hydrogen peroxide, further enhanced dioxane degradation. It is hypothesized that iron associated with the geomedia is primarily responsible for activation, and that the degree of degradation enhancement relates in part to iron content. For the miscible-displacement experiments, slight retardation and minimal mass loss of persulfate was observed for transport in the column packed with the selected soil. And no dioxane degradation was observed, likely due to the low hydraulic residence time. Conversely, oxidant decomposition, sulfate generation, and dioxane degradation were observed upon injection of persulfate and H2O2. The results of this study indicate that geomedia can induce activation of persulfate to enhance in-situ chemical oxidation applications.

  12. Method 522 - Determination of 1,4-Dioxane in Drinking Water by Solid Phase Extraction (SPE) and Gas Chromatography Mass Spectrometry (GC/MS) with Selected Ion Monitoring (SIM)

    Science.gov (United States)

    1,4-Dioxane has been identified as a probable human carcinogen and an emerging contaminant in drinking water. The National Exposure Research Laboratory (NERL) has developed a method for the analysis of 1,4-dioxane in drinking water at ng/L concentrations. The method consists of...

  13. A Fenton-like degradation mechanism for 1,4-dioxane using zero-valent iron (Fe0) and UV light.

    Science.gov (United States)

    Son, Hyun-Seok; Im, Jong-Kwon; Zoh, Kyung-Duk

    2009-03-01

    In this study, the degradation mechanism of 1,4-dioxane using zero-valent iron (Fe0) in the presence of UV light was investigated kinetically. The degradation of 1,4-dioxane in Fe0-only, photolysis, and combined Fe0 and UV reactions followed the kinetics of a pseudo-first-order model. The degradation rate constant (19 x 10(-4)min(-1)) in the combined reaction with UV-C (4.2 mW cm(-2)) and Fe0 (5 mg L(-1)) was significantly enhanced compared to Fe0-only (4.8 x 10(-4) min(-1)) and photolytic reactions (2.25 x 10(-4)min(-1)), respectively. The removal efficiency of 1,4-dioxane in combined reaction with Fe0 and UV within 4 h was enhanced by increasing UV intensity at UV-C region (34% at 4.2 mW cm(-2) and 89% at 16.9 mW cm(-2)) comparing with the removal in the combined reaction with Fe0 and UV-A (29% at 2.1 mW cm(-2), and 33% at 12.6 mW cm(-2)). It indicates that 1,4-dioxane was degraded mostly by OH radicals in the combined reaction. The degradation patterns in both Fe(0)-only and combined reactions were well fitted to the Langmuir-Hinshelwood model, implying that adsorption as well as the chemical reaction occurred. The transformation of Fe0 to Fe2+ and Fe3+ was observed in the Fe0-only and combined reactions, and the transformation rate of Fe0 was improved by UV irradiation. Furthermore, the reduction of Fe3+ was identified in the combined reaction, and the reduction rate was enhanced by an increase of UV energy. Our study demonstrated that the enhancement of 1,4-dioxane removal rate occurred via an increased supply of OH radicals from the Fenton-like reaction induced by the photolysis of Fe0 and H2O, and with producing less sludge.

  14. Speeds of Sound and Excess Molar Volume for Binary Mixture of 1,4-Dioxane with 1-Heptanol at Five Temperatures

    Directory of Open Access Journals (Sweden)

    Anil Kumar Koneti

    2014-01-01

    Full Text Available Speed of sound and density data for dilute liquid solutions of cyclic ether 1,4-dioxane with 1-heptanol was obtained using the Anton-Paar DSA 5000 at five temperatures  T = (298.15, 303.15, 308.15, 313.15, and 318.15 K at atmospheric pressure. The excess parameters were calculated from experimental data and fitted with a Redlich-Kister polynomial function and concluded the presence of weak molecular interactions.

  15. Raman spectroscopy of solutions and interfaces containing nitrogen dioxide, water, and 1,4 dioxane: Evidence for repulsion of surface water by NO{sub 2} gas

    Energy Technology Data Exchange (ETDEWEB)

    Murdachaew, Garold [Institute of Chemistry and the Fritz Haber Research Center for Molecular Dynamics, Hebrew University, Jerusalem 91904 (Israel); Varner, Mychel E.; Veer, Wytze E. van der [Department of Chemistry, University of California, Irvine, California 92697 (United States); Gerber, R. Benny [Institute of Chemistry and the Fritz Haber Research Center for Molecular Dynamics, Hebrew University, Jerusalem 91904 (Israel); Department of Chemistry, University of California, Irvine, California 92697 (United States); Phillips, Leon F., E-mail: leon.phillips@canterbury.ac.nz [Department of Chemistry, University of California, Irvine, California 92697 (United States); Department of Chemistry, University of Canterbury, Private Bag 4800, Christchurch (New Zealand)

    2014-05-14

    The interaction of water, 1,4 dioxane, and gaseous nitrogen dioxide, has been studied as a function of distance measured through the liquid-vapour interface by Raman spectroscopy with a narrow (<0.1 mm) laser beam directed parallel to the interface. The Raman spectra show that water is present at the surface of a dioxane-water mixture when gaseous NO{sub 2} is absent, but is virtually absent from the surface of a dioxane-water mixture when gaseous NO{sub 2} is present. This is consistent with recent theoretical calculations that show NO{sub 2} to be mildly hydrophobic.

  16. The effect of dissolved oxygen on the 1,4-dioxane degradation with TiO2 and Au-TiO2 photocatalysts

    International Nuclear Information System (INIS)

    In order to enhance the photocatalytic activity of TiO2, the recombination of photogenerated electron-hole pairs needs to be suppressed. Noble metals, e.g. Au nanoparticles, have been incorporated with TiO2 to efficiently separate charge carriers created in/on TiO2. On the other hand, dissolved oxygen (DO) in an aqueous solution was also known to scavenge the electrons, which avoid the recombination of electrons and holes. In this study, we investigated the combined system of Au nanoparticles incorporated with TiO2 and DO to gain insight into the relationship between them using a photocatalytic degradation of 1,4-dioxane. The rate constants of 1,4-dioxane photodegradation with respect to TiO2 catalysts with three different Au loadings, as well as DO levels, indicated the DO dependency is disproportional to the Au loading amount, implying that there is an overlapping function in capturing electrons between Au nanoparticles and DO.

  17. Characteristics of 1,4-Dioxane Degradation by Xanthobacter flavus DT8%Xanthobacter flavus DT8降解二噁烷的特性研究

    Institute of Scientific and Technical Information of China (English)

    金小君; 陈东之; 朱润晔; 陈静; 陈建孟

    2012-01-01

    A strain DT8 was isolated from the activated sludge using culture enrichment technique, and subsequently identified as Xanthobacter flavus based on the analysis of morphological and physiological characteristics as well as cellular fatty acid composition and 16S rRNA sequence. X. flavus DT8 could effectively utilize 1,4-dioxane as the sole carbon and energy source, and was able to completely degrade 100 mg. L ^-1 substrate within 48 h. The values of biomass yield and energy discrepancy index were 0.62 g·g^-1 and 1.00, respectively, indicating that low energy share was dissipated. The optimum pH and temperature for 1,4-dioxane degradation were 7.0 and 34℃ , respectively. The degradation could also be performed in poor nutrition solution, e.g. the degradation ratio reached 65.6% even though in a 100-fold diluted medium. The induction process was not required in 1,4-dioxane degradation from this investigation. The characteristics of 1,4-dioxane degradation by X. flavus DT8 in direct metabolic mode was therefore revealed in this paper, and it will built a solid foundation for the application of biological purification of waste water and off-gas containing 1,4- dioxane.%对上海某医药厂污水站好氧池的活性污泥进行长期驯化,分离到1株能以二噁烷为唯一碳源和能源生长的菌株DT8.经生理生化、脂肪酸鉴定和16S rRNA序列分析,确定该菌株为黄黄色杆菌DT8(Xanthobacter flavus DT8).序批实验表明X.flavus DT8可于48 h内完全降解100 mg.L-1二噁烷,并可实现污染物的矿化.随着生物量的增加,该降解过程的细胞得率(以二噁烷计)为0.62 g.g-1,能量消耗系数(δe)为1.00,表明X.flavus DT8代谢二噁烷消耗的能量较少.研究不同温度、pH和营养条件对二噁烷降解的影响,发现二噁烷降解较适宜的温度和初始pH分别为34℃和7.0;在贫营养条件下,即无机盐培养基稀释100倍时,100 mg.L-1二噁烷于48 h的降解率达到65.6%.

  18. Spectrophotometric and conductometric study of the complexation of N-salicylidene-2-aminophenol with Cu2+ in methanol + 1,4-dioxane binary solutions

    Directory of Open Access Journals (Sweden)

    Biswas Rashmidipta

    2014-01-01

    Full Text Available The complexation reaction between N-salicylidene-2-aminophenol, abbreviated as SAP, with Cu2+ ion was studied in binary mixtures of methanol and 1,4-dioxane by using conductometric and spectrophotometric method at different temperatures. The stability constants (Kf for the 1:1 complex, Cu2+-SAP, were calculated from computer fitting of absorbance and molar conductance data against various mole ratios (cM:cL or cL:cM in different binary solvent mixtures. A non-linear behaviour was observed for the variation of logKf for the complex against the solvent compositions. Various thermodynamic parameters (ΔH, ΔS and ΔG for the formation of Cu2+-SAP complex were determined from the temperature dependence of stability constants (Kf. The overall results showed that the complexation reaction is entropy driven and is affected by the nature and composition of the mixed solvents.

  19. SINGLE LANTHANUM TRIS(N-PHENYLETHYL-3,5-DI-t-BUTYLSALICYLALDIMINATO)S INITIATOR FOR RING-OPENING POLYMERIZATION OF 1,4-DIOXAN-2-ONE IN BULK

    Institute of Scientific and Technical Information of China (English)

    Hao Zheng; Guo-rong Shen; Xu-feng Ni; Zhi-quan Shen

    2008-01-01

    A rare earth Schiff base complex:lanthanum tris(N-phenylethyl-3,5-di-t-butylsalicylaldiminato)s [La(OPEBS)3] was successfully applied as single component initiator for the ring-opening polymerization of 1,4-dioxan-2-one (PDO) in bulk.The influence of reaction conditions,such as polymerization temperature,the molar ratio of the monomer to initiator (M/I) on the monomer conversion and molecular weight of the polymer has been investigated.Poly(1,4-dioxan-2-one) with a viscosity-average molecular weight (My) of 8.29×104 and yield of 91.5% was prepared.

  20. Influence of temperature and organic solvents (isopropanol and 1,4-dioxane) on the micellization of cationic gemini surfactant (14-4-14).

    Science.gov (United States)

    Das, Sibani; Naskar, Bappaditya; Ghosh, Soumen

    2014-04-28

    The micellar properties of gemini surfactant, tetramethylene-1,4-bis(dimethyltetradecylammonium bromide) (14-4-14) in binary aqueous mixtures of isopropanol (IP) and 1,4-dioxane (DO) were investigated by tensiometric, conductometric and microcalorimetric methods in the temperature range of 298 to 323 K. The values of both critical micelle concentration (cmc) and degree of dissociation increase with increasing temperature and concentration of cosolvent. The energetics of micellization was determined from the temperature dependence of critical micelle concentration values. The standard Gibbs free energy of micellization (ΔG) was found to be negative and the negative value decreases with both temperature and concentration of cosolvent. The Gibbs free energy of micellization (ΔG) is mainly controlled by tail transfer free energy. The enthalpy of micellization obtained from direct calorimetry, Gibbs-Helmholtz equation and van't Hoff methods are presented and compared. Entropic contribution is found to be larger than the enthalpy and for all the systems, an enthalpy-entropy compensation phenomenon was obtained. Some interfacial parameters, e.g., Gibbs surface excess (Γmax), minimum area per surfactant molecule (Amin), surface pressure (Πcmc) were been calculated. The fluorimetric technique was used to understand the microenvironment of the solution under the influence of cosolvent. The micellar aggregation number of 14-4-14 in a binary mixed solvent was also determined from fluorimetry using pyrene as a probe. Two fluorophores, fluorescein and curcumin delivered the information of the peripheral region of the micellar interface and palisade region. The self-diffusion coefficients of the micellar media were evaluated using the cyclic voltammetry (CV) method. Such multi-technique investigation provides a new look into the role of solvation in micellization. PMID:24668039

  1. Microcosm Studies to Evaluate Aerobic Cometabolism of Low Concentrations of 1,4-Dioxane by Isobutane-utilizing Microorganisms in the Presence of Chlorinated Solvent Co-contaminants

    Science.gov (United States)

    Rolston, H. M.; Azizian, M.; Hyman, M. R.; Semprini, L.

    2015-12-01

    Due to its use as a stabilizer for chlorinated solvents, 1,4-dioxane (1,4D), a probable human carcinogen, is a common co-contaminant in solvent spills at industrial and military sites and landfills. Its persistence in large groundwater plumes at low concentrations makes it a relevant candidate for in-situ bioremediation via cometabolism. Microcosm studies are being performed to evaluate the capability of aerobic microorganisms to cometabolize mixtures of 1,4D and chlorinated solvents, such as trichloroethylene (TCE), 1,1,1-trichloroethane (1,1,1TCA), and 1,1-dichloroethene (1,1DCE), with isobutane as the primary substrate. Microcosms were constructed using aquifer solids from Fort Carson, Colorado, a site contaminated with 1,4D and TCE, to assess the isobutane uptake and transformation of 1,4D and chlorinated solvents by microorganisms native to the site. Additional microcosms were augmented with Rhodococcus rhodochrous, a bacterium shown to cometabolize 1,4D and chlorinated solvents. Results indicate that native microcosms cometabolized 1,4D upon stimulation with isobutane after a lag period of about 15 days. TCE was also transformed, but at significantly slower rates. The presence of 1,4D and TCE at 500 and 300 ppb, respectively, did not inhibit the growth of native microorganisms on isobutane, with isobutane uptake and 1,4D transformation occurring simultaneously. Bioaugmented microcosms transformed 1,4D immediately after inoculation with R. rhodochrous. Tests in bioaugmented microorganisms indicated that the presence of TCE at low concentrations inhibits but does not block the transformation of 1,4D. Results from the microcosms will be used to design field tests to be performed at Fort Carson. Additional microcosm studies will compare the stimulation of native and bioaugmented microcosms and the transformation of mixtures of 1,4D, 1,1,1TCA and 1,1DCE. Molecular methods will analyze the monoxygenase enzymes expressed in the native and bioaugmented microcosms.

  2. Thermodynamics of the amalgam cells {Cs-amalgam|CsX (m)|AgX|Ag} (X=Cl, Br, I) and primary medium effects in (methanol+water) (acetonitrile+water), and (1,4-dioxane+water) solvent mixtures

    International Nuclear Information System (INIS)

    The potential difference E of the amalgam cell {CsxHg1-x|CsX (m)|AgX|Ag} (X=Cl, Br, I) has been measured as a function of the mole fraction xCs of Cs metal in amalgams and of the molality m of CsX in (methanol+water) (acetonitrile+water), and (1,4-dioxane+water) solvent mixtures containing up to 0.75 mass fraction of the organic component, at the temperature 298.15K. The respective standard molal potential differences Emo have been determined together with the relevant activity coefficients γ+/- as functions of the CsX molality. The found Emo values show a parabolic decrease with increasing proportion of the organic component in the solvent mixture. Analysis of the relevant primary medium effects upon CsX shows that the CsX transfer from the standard state in water to the standard state in the (aqueous+organic) mixture is always unfavoured, and the acetonitrile is the least unfavoured co-solvent studied. Analysis of the primary medium effect upon CsI in terms of Feakins and French's theory leads to a primary hydration number close to zero, which is consistent with the results of supplementary EXAFS experiments on Cs+ and I- in (acetonitrile+water) solvent mixtures

  3. Acoustical Studies of Schiff Bases in 1,4-dioxane and Dimethylformamide at 308.15K%用声学方法研究308.15K时Schiff碱在1,4-二氧杂环已环和二甲基甲酰胺溶液中的性质

    Institute of Scientific and Technical Information of China (English)

    Shipra Baluja; Pranav Inamdar; Mayur Soni

    2004-01-01

    Density,viscosity and ultrasonic velocity of solutions of four Schiff basesin 1,4-dioxane and dimethylformamide(DMF)were measured at308.15K.Various acoustical properties such as specific impedance(Z),adiabatic compressibility(κs),Rao'smolar sound function(Rm),the van der Waals constant(b),molar compressibility(W),intermolecular free length(Lf),relaxation strength(r),solvation number(Sn),were calculated.The results are interpreted in terms of molecular interactions occurring in the solutions.

  4. 表面解吸常压化学电离质谱法直接测定日化用品中1,4-二恶烷%MS/MS Direct Determination of 1,4-Dioxane in Daily Chemo-necessities with Surface Desorption Atmospheric Pressure Chemical Ionization

    Institute of Scientific and Technical Information of China (English)

    杨水平; 张燕; 王姜; 贾滨; 胡斌; 尹帮达; 张华; 陈焕文

    2012-01-01

    在无需样品预处理的前提下,将表面解吸常压化学电离质谱法用于日化用品中1,4-二恶烷的直接快速检测。在串联质谱中,选择表面解吸常压化学电离离子源,以碰撞诱导解离反应正离子检测模式进行定性和定量检测。确定了1,4-二恶烷的碎片特征峰分别为m/z 72,45,61和32。1,4-二恶烷的线性范围为0.1~1 000mg·L-1,检出限(3σ)为7.8×10-3 mg·L-1。方法用于洗手液和洗发水的分析,回收率在84.7%~98.5%之间、测定值的相对标准偏差(n=6)在10%~18%之间。%Surface desorption atmospheric pressure chemical ionization-tandem mass spectrometry (SDAPCI- MS/MS) was applied to the direct and rapid determination of 1,4-dioxane in daily chemo-necessities, without sample preparation and pretreatment. In the MS/MS analysis, SDAPCI was used as ion source, and positive electrospray ionization as well as collision induced dissociation reaction monitoring mode was taken for qualitative and quantitative analysis. The characteristic peaks of the fragments of 1,4-dioxane at m/z 72, 45, 61 and 32 respectively were confirmed. Linearity range of 1,4-dioxane was kept in the range of 0. 1-1 000 mg · L-1 , with value of detection limit (3σ) of 7.8×10 3mg ·L-1. The proposed method was used in the analysis of samples of hand lotion and shampoo, giving values of recovery and RSD's in ranges of 84. 7 %-98. 5% and 10 %-18% respectively.

  5. Oligonucleotides with 1,4-dioxane-based nucleotide monomers

    DEFF Research Database (Denmark)

    Madsen, Andreas S; Wengel, Jesper

    2012-01-01

    An epimeric mixture of H-phosphonates 5R and 5S has been synthesized in three steps from known secouridine 1. Separation of the epimers has been accomplished by RP-HPLC, allowing full characterization and incorporation of monomers X and Y into 9-mer oligonucleotides using H-phosphonates building ...

  6. Tetrakis(3-cyanopyridine-κN1)bis(thiocyanato-κN)cobalt(II) 1,4-dioxane disolvate

    OpenAIRE

    Stephan Diehr; Susanne Wöhlert; Jan Boeckmann; Christian Näther

    2011-01-01

    In the crystal structure of the title compound, {[Co(NCS)2(C6H4N2)4]·2C4H8O2}, the CoII cations are octahedrally coordinated by two terminal N-bonded thiocyanate anions and four N-bonded 3-cyanopyridine ligands. The asymmetric unit consists of one CoII cation, which is located on a special position with site symmetry 2/m, one thiocyanate anion and one dioxane molecule, located on a crystallographic mirror plane, as well as one 3-cyanopyridine ligand in a general position. The crystal...

  7. 77 FR 7576 - Draft Toxicological Review of 1,4-Dioxane: In Support of Summary Information on the Integrated...

    Science.gov (United States)

    2012-02-13

    ... Register Notices published August 31, 2011, (76 FR 54225) and September 16, 2011 (76 FR 57739). DATES: The... primarily via the Internet on the NCEA home page under the Recent Additions and Publications menus at http... Development, Research Triangle Park, NC 27711; telephone: (919) 541- 1964; facsimile: (919) 541-2985; or...

  8. Tetra­kis(3-cyano­pyridine-κN 1)bis­(thio­cyanato-κN)cobalt(II) 1,4-dioxane disolvate

    OpenAIRE

    Diehr, Stephan; Wöhlert, Susanne; Boeckmann, Jan; Näther, Christian

    2011-01-01

    In the crystal structure of the title compound, {[Co(NCS)2(C6H4N2)4]·2C4H8O2}, the CoII cations are octa­hedrally coordinated by two terminal N-bonded thio­cyanate anions and four N-bonded 3-cyano­pyridine ligands. The asymmetric unit consists of one CoII cation, which is located on a special position with site symmetry 2/m, one thio­cyanate anion and one dioxane mol­ecule, located on a crystallographic mirror plane, as well as one 3-cyano­pyridine ligand in a general position. The crystal st...

  9. Molar extinction coefficients of solutions of some organic compounds

    Science.gov (United States)

    Singh, Kulwant; Sandhu, G. K.; Lark, B. S.

    2004-05-01

    Molar extinction coefficients of aqueous solutions of some organic compounds, viz. formamide (CH_{3}NO), N-methylformamide (C_{2}H_{5}NO), NN-dimethylformamide (C_{3}H_{7}NO), NN-dimethylacetamide (C_{4}H_{9}NO), 1,4-dioxane (C_{4}H_{8}O_{2}), succinimide (C_{4}H_{5}NO_{2}) and solutions of acetamide (C_{2}H_{5}NO) and benzoic acid (C_{7}H_{6}O_{2}) in 1,4-dioxane (C_{4}H_{8}O_{2}) have been determined by narrow beam gamma-ray transmission method at 81, 356, 511, 662, 1173 and 1332 keV. The experimental values of mass attenuation coefficients of these compounds have been used to calculate effective atomic numbers and electron densities. The additivity rule earlier used for aqueous solution has been extended to non-aqueous (1,4-dioxane) solutions.

  10. 5-Pentadecyl-2-((p-tolyliminomethylphenol

    Directory of Open Access Journals (Sweden)

    Amorn Petsom

    2013-07-01

    Full Text Available 5-Pentadecyl-2-((p-tolyliminomethylphenol has been synthesized by reaction of 2-hydroxy-4-pentadecylbenzaldehyde with 4-amino-1-methyl-aniline in 1,4-dioxane under reflux. The structure of the synthesized compound was assigned on the basis of elemental analysis, UV, IR, 1H-NMR, 13C-NMR and mass spectral data.

  11. Cellulose decomposition behavior in hot-compressed aprotic solvents

    Institute of Scientific and Technical Information of China (English)

    Shiro; SAKA

    2008-01-01

    Microcrystalline cellulose (avicel) is treated in hot-compressed aprotic solvents,sulfolane and 1,4-dioxane,using a batch-type reaction system with a molten tin bath in a range from 290 to 390℃. The corresponding densities of the solvent are 0.25-1.26 g/cm3 and 0.21-1.03 g/cm3 for sulfolane and 1,4-dioxane,respectively. As a result,in both solvents,more than 90% of cellulose is found to be de-composed to the solvent-soluble portion in which levoglucosan is the main component with the high-est yield of about 35% on original cellulose basis. The decomposition rate to levoglucosan is,however,faster in sulfolane than in 1,4-dioxane,while levoglucosan is more stable in 1,4-dioxane. In addition,its yield is found to be solvent-density dependent to be highest around 0.4-0.5 g/cm3 for both solvents. To elucidate these decomposition behaviors,the results obtained in this study with aprotic solvents are compared with protic solvents such as water and methanol in previous works.

  12. ANALYSIS OF THE KINETICS OF SOLVOLYSIS OF P-NITROPHENYLSULFONYLMETHYL PERCHLORATE IN BINARY ALCOHOLIC MIXTURES IN TERMS OF THE THERMODYNAMIC PROPERTIES OF THE SOLVENT MIXTURES

    NARCIS (Netherlands)

    WIJNEN, JW; ENGBERTS, JBFN; BLANDAMER, MJ

    1993-01-01

    Rate constants are reported for the solvolysis of p-nitrophenylsulfonylmethyl perchlorate in binary ethanolic and methanolic mixtures at 298.2 K. Co-solvents include hydrocarbons, chlorinated hydrocarbons and 1,4-dioxane. The kinetic data are examined in terms of the effect of decreasing mole fracti

  13. Cellulose decomposition behavior in hot-compressed aprotic solvents

    Institute of Scientific and Technical Information of China (English)

    BAO GuiRong; Shiro SAKA; WANG Hua

    2008-01-01

    Microcrystalline cellulose (avicel) is treated in hot-compressed aprotic solvents, sulfolane and 1,4-dioxane, using a batch-type reaction system with a molten tin bath in a range from 290 to 390℃. The corresponding densities of the solvent are 0.25-1.26 g/cm3 and 0.21-1.03 g/cm3 for sulfolane and 1,4-dioxane, respectively. As a result, in both solvents, more than 90% of cellulose is found to be de-composed to the solvent-soluble portion in which levoglucosan is the main component with the high-est yield of about 35% on original cellulose basis. The decomposition rate to levoglucosan is, however, faster in sulfolane than in 1,4-dioxane, while levoglucosan is more stable in 1,4-dioxane. In addition, its yield is found to be solvent-density dependent to be highest around 0.4-0.5 g/cm3 for both solvents. To elucidate these decomposition behaviors, the results obtained in this study with aprotic solvents are compared with protic solvents such as water and methanol in previous works.

  14. A novel convenient preparation of dihydroxyacetone phosphate and its use in enzymatic aldol reactions

    OpenAIRE

    Effenberger, Franz; Straub, Alexander

    1987-01-01

    A new preparation of the stable barium salt of 2,5-bis(phosphonooxymethyl)-2,5-diethoxy-1,4-dioxane Ba-Image is described, which by treatment with DOWEX 50 H+ gives dihydroxyacetone phosphate (DHAP) in high yield. DHAP prepared by this method was used for aldolase-catalyzed condensations.

  15. Solid–liquid equilibria for binary and ternary systems with the Cubic-Plus-Association (CPA) equation of state

    DEFF Research Database (Denmark)

    Fettouhi, André; Thomsen, Kaj

    2010-01-01

    A systematic investigation of the CPA model's performance within solid-liquid equilibria (SLE) in binary mixtures (methane + ethane, methane + heptane, methane + benzene, methane + CO2, ethane + heptane, ethane + CO2, 1-propanol + 1,4-dioxane, ethanol + water, 2-propanol + water) is presented...

  16. Hydrolysis of 4-Acetoxystyrene Polymers Prepared by Atom Transfer Radical Polymerization

    DEFF Research Database (Denmark)

    Chen, Xianyi; Jankova, Katja; Kops, Jørgen;

    1999-01-01

    Hydrolysis of 4-acetoxystyrene polymers prepared by atom transfer radical polymerization was carried out under various reaction conditions. It was found that hydrazinolysis of 4-acetoxystyrene homopolymers, random and block copolymers with styrene in 1,4-dioxane, afforded the corresponding narrow...

  17. 21 CFR 74.3206 - D&C Green No. 6.

    Science.gov (United States)

    2010-04-01

    ... coloring poly(glycolic acid-co-trimethylene carbonate) sutures (also referred to as 1,4-dioxan-2,5-dione... suture material for coloring polyglycolic acid surgical sutures with diameter greater than U.S.P. size 8... material for coloring polyglycolic acid surgical sutures with diameter not greater than U.S.P. size...

  18. Quantum Cascade Laser-Based Photoacoustic Spectroscopy for Trace Vapor Detection and Molecular Discrimination

    Directory of Open Access Journals (Sweden)

    Almon Fisher

    2010-03-01

    Full Text Available We report on the development of a microelectromechanical systems (MEMS-scale photoacoustic sensor for the detection of trace gases. A mid-infrared quantum cascade laser (QCL was used to determine detection limits for acetic acid, acetone, 1,4-dioxane, and vinyl acetate. The source was continuously tunable from 1015 cm-1 to 1240 cm-1, allowing for the collection of photoacoustic vibrational spectra for these gases. Exceptional agreement between the measured photoacoustic spectra and the infrared spectra for acetic acid, acetone, 1,4-dioxane, and vinyl acetate was observed. Partial least-squares (PLS regression was used to develop an algorithm for classification of these compounds based solely on photoacoustic spectra.

  19. Morphology phase diagram of ultrathin anatase TiO2 films templated by a single PS-b-PEO block copolymer.

    Science.gov (United States)

    Cheng, Ya-Jun; Gutmann, Jochen S

    2006-04-12

    Ultrathin TiO2 films showing rich morphologies are prepared on Si(100) substrates using sol-gel chemistry coupled with an amphilic polystyrene-block-poly(ethylene oxide) (PS-b-PEO) diblock copolymer as a structure-directing agent. The block copolymer undergoes a good-poor solvent pair induced phase separation in a mixed solution of 1,4-dioxane, concentrated hydrochloric acid (HCl), and titanium tetraisopropoxide (TTIP). By adjusting the weight fractions of 1,4-dioxane, HCl, and TTIP, inorganic block copolymer composite films containing a variety of different morphologies are obtained. On the basis of the results a ternary phase diagram of the morphologies is mapped. By calcination, anatase TiO2 films are achieved. The morphologies and crystallographic phase of the films are studied with AFM, SEM, and XRD, respectively, and the formation mechanisms of the different morphologies are discussed. PMID:16594703

  20. Terahertz Metamaterial Sensor Based on Electromagnetically Induced Transparency Effect

    Institute of Scientific and Technical Information of China (English)

    Shao-Xian Li; Hong-Wei Zhao; Jia-Guang Han

    2015-01-01

    A terahertz metamaterial sensor adopting the metamaterial-based electromagnetically induced transparency (EIT) effect is presented for determining the 1,4-dioxane concentration in its aqueous solution. The metamaterial sensor, which consists of an EIT element unit with a cut-wire metallic resonator and two split-ring metallic resonators fabricated on a 490-µm thick silicon substrate, operates in a transmission geometry. The EIT peak was red-shifted and decreased with the increase of the water volume. A maximum red- shift about 54GHz of the EIT peak was detected between the 1,4-dioxane and water. The presented linear behavior and high sensitivity of the EIT peak depending on the water concentration pave a novel avenue for sensor applications.

  1. Solution small-angle x-ray scattering as a screening and predictive tool in the fabrication of asymmetric block copolymer membranes

    KAUST Repository

    Dorin, Rachel Mika

    2012-05-15

    Small-angle X-ray scattering (SAXS) analysis of the diblock copolymer poly(styrene-b-(4-vinyl)pyridine) in a ternary solvent system of 1,4-dioxane, tetrahydrofuran, and N,N-dimethylformamide, and the triblock terpolymer poly(isoprene-b-styrene-b-(4-vinyl)-pyridine) in a binary solvent system of 1,4-dioxane and tetrahydrofuran, reveals a concentration-dependent onset of ordered structure formation. Asymmetric membranes fabricated from casting solutions with polymer concentrations at or slightly below this ordering concentration possess selective layers with the desired nanostructure. In addition to rapidly screening possible polymer solution concentrations, solution SAXS analysis also predicts hexagonal and square pore lattices of the final membrane surface structure. These results suggest solution SAXS as a powerful tool for screening casting solution concentrations and predicting surface structure in the fabrication of asymmetric ultrafiltration membranes from self-assembled block copolymers. (Figure presented) © 2012 American Chemical Society.

  2. Near-infrared Raman spectroscopy using a diode laser and CCD detector for tissue diagnostics

    International Nuclear Information System (INIS)

    This paper surveys the possibility to observe high-quality NIR Raman spectra of both fluorescent and non-fluorescent samples with the use of a diode laser, a fibre optic sample, a single spectrometer and a charge-coupled device (CCD) detector. A shifted excitation difference technique was implemented for removing the broad-band fluorescence emission from Raman spectra of the highly fluorescent samples. Raman spectra of 1.4-dioxane, toluene, rhodamine 6G, and HITCI in the 640 to 1840 cm-1 spectral region and 1.4-dioxane and toluene in the 400 to 3400 cm-1 spectral region have been recorded. The results open the field of sensitive tissue characterisation and the possibility of optical biopsy in vivo by using NIR Raman spectroscopy with fibre optic sampling, a single spectrometer, and a CCD detector

  3. Electron-ion dissociative recombination rate constants relevant to the Titan atmosphere and the Interstellar Medium

    Energy Technology Data Exchange (ETDEWEB)

    Osborne, David; Lawson, Patrick; Adams, Nigel, E-mail: ngadams@uga.edu [University of Georgia, Department of Chemistry, 101 Cedar St., Athens, Georgia 30602 (United States)

    2014-01-21

    Following the arrival of Cassini at Titan in 2004, the Titan atmosphere has been shown to contain large complex polycyclic-aromatic hydrocarbons. Since Cassini has provided a great deal of data, there exists a need for kinetic rate data to help with modeling this atmosphere. One type of kinetic data needed is electron-ion dissociative recombination (e-IDR) rate constants. These data are not readily available for larger compounds, such as naphthalene, or oxygen containing compounds, such as 1,4 dioxane or furan. Here, the rate constants for naphthalene, 1,4 dioxane, and furan have been measured and their temperature dependencies are determined when possible, using the University of Georgia's Variable Temperature Flowing Afterglow. The rate constants are compared with those previously published for other compounds; these show trends which illustrate the effects which multi-rings and oxygen heteroatoms substitutions have upon e-IDR rate constants.

  4. Metal-coordination-driven mixed ligand binding in supramolecular bisporphyrin tweezers.

    Science.gov (United States)

    Ikbal, Sk Asif; Dhamija, Avinash; Rath, Sankar Prasad

    2015-09-25

    Mg(II)bisporphyrin has been used as an efficient host for the selective binding of guest ligands. In the presence of heterogeneous guest pairs, 2-aminopyrimidine/pyrazine and 2-aminopyrimidine/1,4-dioxane, 2-aminopyrimidine is bound selectively inside the bisporphyrin cavity whereas pyrazine/1,4-dioxane is bound outside to produce 1D mixed ligand polymers. UV-vis, (1)H NMR spectra and X-ray structure confirm such a selective and orthogonal binding of the guest ligands. The mixed ligand polymer has been synthesized just by mixing the host and guests in one pot and easily isolated as a solid in nearly quantitative yield due to its high stability. PMID:26256242

  5. Maleimide-functionalized closo-dodecaborate albumin conjugates (MID-AC): Unique ligation at cysteine and lysine residues enables efficient boron delivery to tumor for neutron capture therapy.

    Science.gov (United States)

    Kikuchi, Shunsuke; Kanoh, Daisuke; Sato, Shinichi; Sakurai, Yoshinori; Suzuki, Minoru; Nakamura, Hiroyuki

    2016-09-10

    Maleimide-conjugating closo-dodecaborate sodium form 5c (MID) synthesized by the nucleophilic ring-opening reaction of closo-dodecaborate-1,4-dioxane complex 2 with tetrabutylammonium (TBA) azide was found to conjugate to free SH of cysteine and lysine residues in BSA under physiological conditions, forming highly boronated BSA that showed high and selective accumulation in tumor and significant tumor growth inhibition in colon 26 tumor-bearing mice subjected to thermal neutron irradiation. PMID:27422608

  6. Synthesis and Determination of Absolute Configuration of a Divergent Polyhydroxy Enyne Compound

    Institute of Scientific and Technical Information of China (English)

    Zhi Jie XUE; Yuan Chao LI

    2005-01-01

    Polyhydroxy enyne compound (+)-(1'S, 2R, 3S, 5S, 6S)-5,6-dimethoxy-5, 6-dimethyl-2-(1'-hydroxylpropyl-2-ne)-3-vinyl-1,4-dioxane has been synthesized from D-(-)-tartaric acid. A new chiral center was established by nucleophilic addition with 87% de. The modified Mosher's method was employed to confirm the absolute configuration of 17, which assigned the S-configuration at the new chiral center.

  7. Duloxetine hydrochloride

    Directory of Open Access Journals (Sweden)

    Mohan Bhadbhade

    2009-09-01

    Full Text Available The title compound [systematic name: N-methyl-3-(1-naphthyloxy-3-(2-thienylpropan-1-aminium chloride], C18H20NOS+·Cl−, was crystallized from 1,4-dioxane. Twofold rotational disorder exhibited by the thiophene ring in a 0.580 (5:0.420 (5 ratio represents two different conformations of the molecule that exist in the same crystal form. The crystal structure contains strong N—H...Cl hydrogen bonds.

  8. Surface tension isotherms of the dioxane-acetone-water and glycerol-ethanol-water ternary systems

    Science.gov (United States)

    Dzhambulatov, R. S.; Dadashev, R. Kh.; Elimkhanov, D. Z.; Dadashev, I. N.

    2016-10-01

    The results of the experimental and theoretical studies of the concentration dependence of surface tension of aqueous solutions of the 1,4-dioxane-acetone-water and glycerol-ethanol-water ternary systems were given. The studies were performed by the hanging-drop method on a DSA100 tensiometer. The maximum error of surface tension was 1%. The theoretical models for calculating the surface tension of the ternary systems of organic solutions were analyzed.

  9. Biodegradable and macroporous polylactide implants for cell transplantation : 1. Preparation of macroporous polylactide supports by solid-liquid phase separation

    OpenAIRE

    Schugens, Ch; Maquet, Véronique; Grandfils, Christian; Jérôme, Robert; Teyssié, Philippe

    1996-01-01

    Freeze-drying of polylactide solutions in 1,4-dioxane has been studied as a way to produce microcellular foams. The thermally induced phase separation has been studied in relation to several processing and formulation parameters. The effects of polymer concentration, chain stereoregularity, polymer molecular weight and cooling rate have been investigated in connection with the porous morphology and the physico-mechanical characteristics of the final foams. As a rule, bundles of channels are f...

  10. An Investigation of the Behavior of Solvent based Polycaprolactone ink for Material Jetting

    OpenAIRE

    Yinfeng He; Ricky D. Wildman; Chris J. Tuck; Steven D. R. Christie; Steven Edmondson

    2016-01-01

    An initial study of processing bioresorbable polycaprolactone (PCL) through material jetting was conducted using a Fujifilm Dimatix DMP-2830 material printer. The aim of this work was to investigate a potential solvent based method of jetting polycaprolactone. Several solvents were attempt to prepared PCL solvent based ink and 1, 4-dioxane was chosen with the consideration of both solubility and safety. The morphology of PCL formed under different substrate temperatures, droplet spacings were...

  11. Dielectric relaxation and hydrogen bonding studies of 1,3-propanediol–dioxane mixtures using time domain reflectometry technique

    Indian Academy of Sciences (India)

    Madhukar N Shinde; Ravindra B Talware; Pravin G Hudge; Yogesh S Joshi; Ashok C Kumbharkhane

    2012-02-01

    The complex permittivity, static dielectric constant and relaxation time for 1,3-propanediol, 1,4-dioxane and their mixtures have been studied using time domain reflectometry (TDR). The excess permittivity, excess inverse relaxation time and Kirkwood correlation factor have also been determined at various concentrations of dioxane. Hydrogen bonded theory was applied to compute the correlation terms for the mixtures. The Bruggeman model for the nonlinear case has been fitted to the dielectric data for mixtures.

  12. Copper-Catalyzed Oxidative C-H Amination of Tetrahydrofuran with Indole/Carbazole Derivatives.

    Science.gov (United States)

    Yang, Qingjing; Choy, Pui Ying; Fu, Wai Chung; Fan, Baomin; Kwong, Fuk Yee

    2015-11-01

    A simple α-C-H amination of cyclic ether with indole/carbazole derivatives has been accomplished by employing copper(II) chloride/bipy as the catalyst system. In the presence of the di-tert-butyl peroxide oxidant, cyclic ethers such as tetrahydrofuran, 1,4-dioxane, and tetrahydropyran successfully undergo C-H/N-H cross dehydrogenative coupling (CDC) with various carbazole or indole derivatives in good-to-excellent yields. PMID:26485515

  13. Proposing nanofiltration as acceptable barrier for organic contaminants in water reuse

    KAUST Repository

    Yangali-Quintanilla, Victor

    2010-10-01

    For water reuse applications, " tight" nanofiltration (NF) membranes (of polyamide) as an alternative to reverse osmosis (RO) can be an effective barrier against pharmaceuticals, pesticides, endocrine disruptors and other organic contaminants. The use of RO in existing water reuse facilities is addressed and questioned, taking into consideration that tight NF can be a more cost-effective and efficient technology to target the problem of organic contaminants. It was concluded that tight NF is an acceptable barrier for organic contaminants because its removal performance approaches that of RO, and because of reduced operation and maintenance (O&M) costs in long-term project implementation. Average removal of neutral compounds (including 1,4-dioxane) was about 82% and 85% for NF and RO, respectively, and average removal of ionic compounds was about 97% and 99% for NF and RO, respectively. In addition, " loose" NF after aquifer recharge and recovery (ARR) can be an effective barrier against micropollutants with removals over 90%. When there is the presence of difficult to remove organic contaminants such as NDMA and 1,4-dioxane; for 1,4-dioxane, source control or implementation of treatment processes in wastewater treatment plants will be an option; for NDMA, a good strategy is to limit its formation during wastewater treatment, but there is evidence that biodegradation of NDMA can be achieved during ARR. © 2010 Elsevier B.V.

  14. Equivalent circuit model analysis on electrochemical impedance spectroscopy of lithium metal batteries

    Science.gov (United States)

    Gao, Peng; Zhang, Cuifen; Wen, Guangwu

    2015-10-01

    Lithium metal electrode is pretreated with 1,3-dioxolane or 1,4-dioxane to improve its properties. The components and morphology of the surface films formed in the above two pretreatment liquids are studied using FTIR and SEM respectively. Li-LiCoO2 coin cells are then fabricated and their cycle and discharge performance are tested. It is found that the battery performance is greatly improved by such pretreatment. Interestingly, the 1,4-dioxane pretreatment is more effective than 1,3-dioxolane in improving the lithium metal electrode performance. To explore the mechanism(s) behind, the electrochemical impedance spectroscopy (EIS) is employed and an equivalent circuit model is designed for EIS analysis. The fitting curves are aligned well with the experimental curves, suggesting that the proposed equivalent circuit model is an ideal model for lithium battery. Next, the corresponding relationship between the impedance components and every individual semicircle in the Nyquist curves is inferred theoretically and the result is satisfying. Based on the analysis using this model, we conclude that the structural stability of SEI film is increased and the interfacial compatibility between the lithium substrate and the SEI film is improved by 1,3-dioxolane or 1,4-dioxane pretreatment.

  15. A rapid spectrophotometric method for the determination of mercury in environmental, biological, soil and plant samples using diphenylthiocarbazone

    OpenAIRE

    AHMED, M. Jamaluddin; Alam, Md Shah

    2003-01-01

    A simple, sensitive and highly selective direct spectrophotometric method for the determination of trace levels of mercury(II) in various samples is described. Diphenylthiocarbazone (dithizone) reacts in slightly acidic 50% aqueous 1,4-dioxane media (0.18–1.80 M sulphuric acid) with mercury(II) to give an orange chelate which has an absorption maximum at 488 nm. The average molar absorption co-efficient and Sandell's sensitivity were found to be 2.5×104l mol−1 cm−1 and 0.015 μg of Hg(II) cm−2...

  16. CuI/Proline-catalyzed N-Arylation of Nitrogen Heterocycles

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Ma's CuI/proline procedure for the catalytic cross coupling between nitrogen heterocycles and aryl halides was markedly improved. The key finding was that K3PO4 was a much better base than K2CO3 for the reaction. With this new reaction condition the cross coupling with aryl iodides could be accomplished in 1,4-dioxane instead of DMSO. This reactin also could be carried out in DMF. Furthermore, the coupling yields under the new conditions are usually higher than in Ma's original methods.

  17. Desenvolvimento de um método de MEFS com CG-DIC para determinação de 1,4 dioxana em amostras de cosméticos

    Directory of Open Access Journals (Sweden)

    Silva Fernando C.

    2001-01-01

    Full Text Available A headspace solid-phase microextraction (HS-SPME for the determination of 1,4 dioxane in cosmetics by gas chromatography is described. A manual SPME holder with 85 µm polyacrylate coating is utilized. The method is determined to have good resolution, satisfactory linerity (correlation coefficient r=0.997 for 0.20-10.00 mg Kg-1 range, a relative standard deviation of 6.3% and a detection limit of 5.00 µg Kg-1. Some cosmectic products were analyzed.

  18. Accumulation of polar compounds in leaves and fruits - questioning the suitability of widely used TSCF - log Kow regressons

    DEFF Research Database (Denmark)

    Doucette, W.J.; Trapp, Stefan

    2006-01-01

    -zone solution concentrations, is one of the most widely used descriptors in plant uptake modeling. Unfortunately, experimentally determined TSCF values are extremely limited and TSCF used in modeling efforts are often estimated from empirically derived bell-shaped curves that relate TSCF to the log octanol...... compounds (e.g.. sulfolane, 1,4- dioxane, MTBE) suggest that this relationship may not be appropriate. An alternative TSCF-log Kow relationship in combination with a refined model for predicting uptake and accumulation in edible fruits....

  19. A new ether-based electrolyte for dendrite-free lithium-metal based rechargeable batteries

    Science.gov (United States)

    Miao, Rongrong; Yang, Jun; Xu, Zhixin; Wang, Jiulin; Nuli, Yanna; Sun, Limin

    2016-02-01

    A new ether-based electrolyte to match lithium metal electrode is prepared by introducing 1, 4-dioxane as co-solvent into lithium bis(fluorosulfonyl)imide/1,2-dimethoxyethane solution. Under the synergetic effect of solvents and salt, this simple liquid electrolyte presents stable Li cycling with dendrite-free Li deposition even at relatively high current rate, high coulombic efficiency of ca. 98%, and good anodic stability up to ~4.87 V vs Li RE. Its excellent performance will open up a new possibility for high energy-density rechargeable Li metal battery system.

  20. Synthesis and biological activity of some heterocyclic compounds containing quinoxaline and coumarin moieties

    Directory of Open Access Journals (Sweden)

    M. E. ABD EL-FATTAH

    2000-02-01

    Full Text Available 2,3-Dichloroquinoxaline (2 condensed with 7,8-dihydroxy-4-methylcoumarin to give the 1,4-dioxane derivative 4. 2.3-Dichloroquinoxaline (2 reacted with 4-hydroxycoumarin, 7-hydroxy-4-methylcoumarin and acyl hydrazide 13 to give either the 2,3-(dicoumarin-4-yloxyquinoxaline (6 or the 2,3-di-(4-methylcoumarin-7-yloxyquinoxaline (7 or the 2-chloro-3-(coumarin-4-yloxyquinoxaline (8 or the 2-chloro-3-(4-methylcoumarin-7-yloxy quinoxaline (9 or the ditriazoloquinoxaline 14 or the oxa-diazinoquinoxaline 16, depending on the relative ratios of the reactants and the reaction conditions.

  1. An Investigation of the Behavior of Solvent based Polycaprolactone ink for Material Jetting.

    Science.gov (United States)

    He, Yinfeng; Wildman, Ricky D; Tuck, Chris J; Christie, Steven D R; Edmondson, Steven

    2016-02-12

    An initial study of processing bioresorbable polycaprolactone (PCL) through material jetting was conducted using a Fujifilm Dimatix DMP-2830 material printer. The aim of this work was to investigate a potential solvent based method of jetting polycaprolactone. Several solvents were used to prepare a PCL solvent based ink and 1, 4-dioxane was chosen with the consideration of both solubility and safety. The morphology of PCL formed under different substrate temperatures, droplet spacings were investigated. Multi-layer PCL structures were printed and characterized. This work shows that biodegradable polycaprolactone can be processed through material jetting.

  2. Comparison of UVC/S2O8 2- with UVC/H2O2 in terms of efficiency and cost for the removal of micropollutants from groundwater

    OpenAIRE

    Antoniou, Maria; Andersen, Henrik Rasmus

    2015-01-01

    This study compared the UVC/S2O8(2-) system with the more commonly used AOP in water industry, UVC/H2O2, and examined whether the first one can be an economically feasible alternative technology. Atrazine and 4 volatile compounds (methyl tert-butyl ether, cis-dichlorethen, 1,4-dioxane and 1,1,1-trichloroethane) were chosen as model contaminants because they exhibit different susceptibility to UVC photolysis and AOPs. A collimated beam apparatus was utilized for the majority of the experiments...

  3. From Spherical Mesopores to Worm-Shaped Mesopores: Morphology Transition in Titania-Polystyrene- b -poly(ethylene oxide) Composite Films with Increasing Sol-Gel Reaction Time

    OpenAIRE

    Cheng, Ya-Jun; Zhou, Shaoying; Gutmann, Jochen S; Wolkenhauer, Markus; Bumbu, Gina-Gabriela; Lenz, Sebastian; Memesa, Mine; Nett, Sebastian; Emmerling, Sebastian; Steffen, Werner; Roth, Stephan V.

    2014-01-01

    A morphology transition from spherical mesopores to worm-shaped mesopores within titania block copolymer composite thin films has been observed by varying the sol–gel reaction time from 40 min to 48 h in the four-component templating system of polystyrene-$\\mathit{b}$-poly(ethylene oxide) (PS-$\\mathit{b}$-PEO), 1,4-dioxane, concentrated HCl, and titanium tetraisopropoxide (TTIP) with a PS-$\\mathit{b}$-PEO mass concentration of 0.25 wt.-%. The impact of the sol–gel reaction time on the local s...

  4. Removal of micro-pollutants from drinking water with advanced oxidation processes

    OpenAIRE

    Sander, Fabian

    2009-01-01

    This thesis determines the feasibility of ozone gas and ultraviolet (UV)technologies to reduce pollutants from drinking water. The merging of both techniques, ozone and UV, is known as a so called advanced oxidation process (AOP). ITT Wedeco is developing new technologies to meet the growing concern of water works to remove micro-pollutants from their water. The emphasis of this work was put on the formation of the oxidation by-product bromate and the removal of the solvent 1.4 dioxane fr...

  5. Studies on Excess Volume, Viscosity, and Speed of Sound of Binary Mixtures of Methyl Benzoate in Ethers at T=(303.15,308.15, and 313.15) K

    OpenAIRE

    Rathnam, M. V.; Ambavadekar, Devappa R.; Nandini, M.

    2013-01-01

    Densities, viscosities, and speed of sound have been determined at T = (303.15, 308.15, and 313.15) K for the binary mixtures of methyl benzoate with tetrahydrofuran, 1,4-dioxane, anisole, and butyl vinyl ether over the entire range of composition. Using these measured values, excess volume VE, deviation in viscosities Δη, excess Gibb’s free energy of activation for viscous flow ΔG*E, and deviation in isentropic compressibility Δks have been calculated. These calculated binary data have been...

  6. Synthesis and click chemistry of a new class of biodegradable polylactide towards tunable thermo-responsive biomaterials†

    OpenAIRE

    Zhang, Quanxuan; Ren, Hong; Baker, Gregory L.

    2015-01-01

    A new class of clickable and biodegradable polylactide was designed and prepared via bulk polymerization of 3,6-dipropargyloxymethyl-1,4-dioxane-2,5-dione (1) which was synthesized from easily accessible propargyloxylactic acid (5). A homopolymer of 1 and random copolymer of 1 with l-lactide were obtained as amorphous materials and exhibit low Tg of 8.5 and 34 °C, respectively, indicating their promising potentials for biomedical applications. The statistical nature of random copolymers was i...

  7. Facile synthesis of α-hydroxy carboxylic acids from the corresponding α-amino acids

    DEFF Research Database (Denmark)

    Stuhr-Hansen, Nicolai; Padrah, Shahrokh; Strømgaard, Kristian

    2014-01-01

    An effective and improved procedure is developed for the synthesis of α-hydroxy carboxylic acids by treatment of the corresponding protonated α-amino acid with tert-butyl nitrite in 1,4-dioxane-water. The amino moiety must be protonated and located α to a carboxylic acid function in order...... to undergo initial diazotization and successive hydroxylation, since neither β-amino acids nor acid derivatives such as esters and amides undergo hydroxylations. The method is successfully applied for the synthesis of 18 proteinogenic amino acids. © 2014 Elsevier Ltd. All rights reserved....

  8. An Investigation of the Behavior of Solvent based Polycaprolactone ink for Material Jetting

    Science.gov (United States)

    He, Yinfeng; Wildman, Ricky D.; Tuck, Chris J.; Christie, Steven D. R.; Edmondson, Steven

    2016-02-01

    An initial study of processing bioresorbable polycaprolactone (PCL) through material jetting was conducted using a Fujifilm Dimatix DMP-2830 material printer. The aim of this work was to investigate a potential solvent based method of jetting polycaprolactone. Several solvents were used to prepare a PCL solvent based ink and 1, 4-dioxane was chosen with the consideration of both solubility and safety. The morphology of PCL formed under different substrate temperatures, droplet spacings were investigated. Multi-layer PCL structures were printed and characterized. This work shows that biodegradable polycaprolactone can be processed through material jetting.

  9. A new ether-based electrolyte for dendrite-free lithium-metal based rechargeable batteries

    OpenAIRE

    Rongrong Miao; Jun Yang; Zhixin Xu; Jiulin Wang; Yanna Nuli; Limin Sun

    2016-01-01

    A new ether-based electrolyte to match lithium metal electrode is prepared by introducing 1, 4-dioxane as co-solvent into lithium bis(fluorosulfonyl)imide/1,2-dimethoxyethane solution. Under the synergetic effect of solvents and salt, this simple liquid electrolyte presents stable Li cycling with dendrite-free Li deposition even at relatively high current rate, high coulombic efficiency of ca. 98%, and good anodic stability up to ~4.87 V vs Li RE. Its excellent performance will open up a new ...

  10. Dielectric relaxation studies of methyl cellulose with phenol derivatives in non-polar solvents using time domain reflectometry

    International Nuclear Information System (INIS)

    Dielectric relaxation measurements of methyl cellulose with substituted phenols p-cresol, m-cresol and o-cresol mixture in different non-polar solvents CCl4, benzene and 1,4-dioxan for different concentrations over the frequency range of 10 MHz-20 GHz at 303 K have been carried out using Time Domain Reflectometry (TDR). Dielectric parameters such as static permittivity (ε0) and relaxation time (τ) were determined and discussed to yield information on the molecular structure and dynamics of the mixture. The dielectric constant and relaxation time were found to be high for methyl cellulose with p-cresol in CCl4 compared with the other mixtures.

  11. Recent progress in electron scattering from atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    Brunger, M. J. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur (Malaysia); Buckman, S. J. [Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur, Malaysia and Centre for Antimatter-Matter Studies, AMPL, Australian National University, Canberra, ACT 0200 (Australia); Sullivan, J. P.; Palihawadana, P. [Centre for Antimatter-Matter Studies, AMPL, Australian National University, Canberra, ACT 0200 (Australia); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Chiari, L.; Pettifer, Z. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Lopes, M. C. A. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Departamento de Fisica, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Duque, H. V. [Departamento de Fisica, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Masin, Z.; Gorfinkiel, J. D. [Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes, MK7 6AA (United Kingdom); Garcia, G. [Instituto de Fisica Fundamental, CSIC, Madrid E-28006 (Spain); Hoshino, M.; Tanaka, H. [Department of Physics, Sophia University, Tokyo, 102-8554 (Japan); Limão-Vieira, P. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2014-03-05

    We present and discuss recent results, both experimental and theoretical (where possible), for electron impact excitation of the 3s[3/2 ]{sub 1} and 3s′[1/2 ]{sub 1} electronic states in neon, elastic electron scattering from the structurally similar molecules benzene, pyrazine, and 1,4-dioxane and excitation of the electronic states of the important bio-molecule analogue α-tetrahydrofurfuryl alcohol. While comparison between theoretical and experimental results suggests that benchmarked cross sections for electron scattering from atoms is feasible in the near-term, significant further theoretical development for electron-molecule collisions, particularly in respect to discrete excitation processes, is still required.

  12. SYNTHESIS OF NOVEL HYDROPHILIC BIODEGRADABLE POLYESTER WITH FUNCTIONALIZED SIDE CHAIN GROUPS

    Institute of Scientific and Technical Information of China (English)

    Ji-yuan Yang; Jian Yu; Huai-zhong Pan; Zhong-wei Gu; Wei-xiao Caoa; Xin-de Feng

    2001-01-01

    A substituted glycolide, 3-benzyloxymethyl-1,4-dioxane-2,5-dione, was synthesized. It is a suitable precursor for the preparation of a new hydrophilic biodegradable poly(a-hydroxy acid). The polymerizations were carried out in bulk in the presence of Sn(Oct)2 at 120-140℃. The resulting polymers were subjected to hydrogenolysis with a Pd/C catalyst in a mixed solvent to remove the protecting benzyl groups. A novel poly(a-hydroxy acid) with pendant hydroxy groups was obtained. The hydrophilicity of the resulting polymer was evaluated preliminarily.``

  13. Synthesis and biological activity of some heterocyclic compounds containing quinoxaline and coumarin moieties

    OpenAIRE

    M. E. ABD EL-FATTAH; I. M. EL-DEEN

    2000-01-01

    2,3-Dichloroquinoxaline (2) condensed with 7,8-dihydroxy-4-methylcoumarin to give the 1,4-dioxane derivative 4. 2.3-Dichloroquinoxaline (2) reacted with 4-hydroxycoumarin, 7-hydroxy-4-methylcoumarin and acyl hydrazide 13 to give either the 2,3-(dicoumarin-4-yloxy)quinoxaline (6) or the 2,3-di-(4-methylcoumarin-7-yloxy)quinoxaline (7) or the 2-chloro-3-(coumarin-4-yloxy)quinoxaline (8) or the 2-chloro-3-(4-methylcoumarin-7-yloxy) quinoxaline (9) or the ditriazoloquinoxaline 14 or the oxa-diazi...

  14. Experimental Results on Electrorheology of Liquid Crystalline Polymer Solutions

    Science.gov (United States)

    Neves, S.; Leal, C. R.; Cidade, M. T.

    2008-07-01

    The electrorheological (ER) effect is known as the enhancement of the apparent viscosity upon application of an external electric field. Suspensions of polarizable particles in non-conducting solvents are the most studied electrorheological fluids, however, liquid crystalline materials may also present ER effect as long as their dielectric anisotropy is positive. In the liquid crystalline state of a positive dielectric anisotropy, the application of the electric field makes the director align perpendicular to the flow direction, thus increasing the apparent viscosity. In this work results of two liquid crystalline polymer solutions, acetoxypropylcellulose (APC) in dimethylacetamide (DMAc) and poly-γ-benzyl-L-glutamate (PBLG) in 1,4-dioxane, presenting opposite behavior upon application of the electric field, will be presented. APC/DMAc (negative dielectric anisotropy) presents a decrease of the apparent viscosity upon application of the electric field, as expected, while PBLG/1,4-dioxane (positive dielectric anisotropy) presents the opposite behavior. For this last solution we will present the shear flow curves for different electric fields in function of polymer molecular weight and solution concentration.

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

    Directory of Open Access Journals (Sweden)

    JIGNA PAREKH

    2005-10-01

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

  16. Lactational transfer of volatile chemicals in breast milk.

    Science.gov (United States)

    Fisher, J; Mahle, D; Bankston, L; Greene, R; Gearhart, J

    1997-06-01

    Lactational transfer of chemicals to nursing infants is a concern for occupational physicians when women who are breast-feeding return to the workplace. Some work environments, such as paint shops, have atmospheric contamination from volatile organic chemicals (VOCs). Very little is known about the extent of exposure a nursing infant may receive from the mother's occupational exposure. A physiologically based pharmacokinetic model was developed for a lactating woman to estimate the amount of chemical that a nursing infant ingests for a given nursing schedule and maternal occupational exposure. Human blood/air and milk/air partition coefficients (PCs) were determined for 19 VOCs. Milk/blood PC values were above 3 for carbon tetrachloride, methylchloroform, perchloroethylene, and 1,4-dioxane, while the remaining 16 chemicals had milk/blood PC values of less than 3. Other model parameters, such as solid tissue PC values, metabolic rate constants, blood flow rates, and tissue volumes were taken from the literature and incorporated into the lactation model. In a simulated exposure of a lactating woman to a threshold limit value concentration of an individual chemical, only perchloroethylene, bromochloroethane, and 1,4-dioxane exceeded the U.S. Environmental Protection Agency non-cancer drinking water ingestion rates for children. Very little data exists on the pharmacokinetics of lactational transfer of volatile organics. More data are needed before the significance of the nursing exposure pathway can be adequately ascertained. Physiologically based pharmacokinetic models can play an important role in assessing lactational transfer of chemicals.

  17. Solvent selection causes remarkable shifts of the ``Ouzo region'' for poly(lactide-co-glycolide) nanoparticles prepared by nanoprecipitation

    Science.gov (United States)

    Beck-Broichsitter, Moritz; Nicolas, Julien; Couvreur, Patrick

    2015-05-01

    Polymer nanoparticles (NPs) offer versatile novel biological features of interest for drug delivery applications. ``Ouzo diagrams'' allowed for a systematic manufacture of specified colloidal formulations by the widely used nanoprecipitation process. Surprisingly, despite the well-documented relevance of the applied organic solvent for nanoprecipitation, its effect on the actual status of the ``Ouzo region'' was so far not studied. Herein, investigations were undertaken to account for the potential impact of the solvent type on the ``Ouzo diagrams'' for poly(lactide-co-glycolide) (PLGA) and tetrahydrofuran (THF), 1,4-dioxane, acetone and dimethyl sulfoxide (DMSO). The ``Ouzo region'' shifted considerably to higher polymer fractions upon solvent change (rank order: THF documented relevance of the applied organic solvent for nanoprecipitation, its effect on the actual status of the ``Ouzo region'' was so far not studied. Herein, investigations were undertaken to account for the potential impact of the solvent type on the ``Ouzo diagrams'' for poly(lactide-co-glycolide) (PLGA) and tetrahydrofuran (THF), 1,4-dioxane, acetone and dimethyl sulfoxide (DMSO). The ``Ouzo region'' shifted considerably to higher polymer fractions upon solvent change (rank order: THF Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr01695a

  18. 纤维素酶催化与三液相萃取偶联制备盾叶薯蓣皂苷元%Preparation of diosgenin by integrated bioprocess of cellulase catalysis and extration in three-liquid-phase system

    Institute of Scientific and Technical Information of China (English)

    魏夺; 董悦生; 韩松; 修志龙

    2012-01-01

    Using coupling biotech of cellulase-catalysis and extrusion in three-liquid-phase system that composed of n-hexane, 1,4-dioxane and ammonium sulfate to hydrolyze dioscin in Chinese yan and glucose connected to steroidal saponins, and extration separation to collect diosgenin. The distribution of several steroidal saponins, hydrolyzed glucose, enzyme and its activity in the three-phase system were studied, and catalytic conversion by cellulase-enzyme and formation of diosgenin in three-liquid, organic and aqueous phases were compared. The results showed that diosgenin yield in the three-liquid-phase system could compare with that in organic phase and aqueous phase. The three-liquid-phase system could be suitable for simultaneous enzymatic hydrolysis of steroidal saponins and extration of diosgenin and glucose. The substrate and enzyme were held in the middle phase of 1,4-dioxane, whiles the products, diosgenin and glucose, were partitioned into the top and bottom phase, respectively. The yields of diosgenin was 69. 4% at 96 h in the three-liquid-phase system, which was twice and 27. 6 folds obtained in organic phase and aqueous phase respectively.

  19. Ambient temperature synthesis of β,β'-fused nickel(II) pyrrolo[1,2-a]pyrazinoporphyrins via a DBSA-catalyzed Pictet-Spengler approach.

    Science.gov (United States)

    Singh, Dileep Kumar; Nath, Mahendra

    2015-02-14

    A facile first synthetic strategy to construct novel π-extended β,β'-fused nickel(II) pyrrolo[1,2-a]pyrazinoporphyrins has been developed via a Pictet-Spengler reaction of newly prepared nickel(II) 2-amino-3-(pyrrol-1-yl)-5,10,15,20-tetraphenylporphyrin with various aromatic, aliphatic or heterocyclic aldehydes in the presence of 10 mol% p-dodecylbenzenesulfonic acid (DBSA) as an efficient Brønsted acid catalyst in 1,4-dioxane at 25 °C. A variety of these π-extended porphyrin analogues were obtained in moderate to good yields under mild conditions and characterized on the basis of spectral data and single crystal X-ray analysis. PMID:25504338

  20. Effect of porogenic solvent on selective performance of molecularly imprinted polymer for quercetin

    Directory of Open Access Journals (Sweden)

    Xingliang Song

    2009-09-01

    Full Text Available Molecularly imprinted polymers (MIP's for quercetin were successfully synthesized by a thermal polymerization method using quercetin as template molecule, acrylamide as functional monomer and ethylene glycol dimethacrylate as cross-linker in the presence of four different porogenic solvents: 1,4-dioxane, tetrahydrofuran (THF, acetone, and acetonitrile. The selective performance of obtained MIP's was evaluated through HPLC analysis. The results indicated that the MIP obtained in THF showed the highest capacity and selectivity. The Scatchard method also supported HPLC results. The results were interpreted by computational quantum chemical analysis through Onsager self-consistent reaction field (SCRF technique in term of stabilization energy. It was also found that the amount of porogenic solvent used had impact on the adsorption effectiveness of MIP's.

  1. Characteristic occurrence patterns of micropollutants and their removal efficiencies in industrial wastewater treatment plants.

    Science.gov (United States)

    Lee, In-Seok; Sim, Won-Jin; Kim, Chang-Won; Chang, Yoon-Seok; Oh, Jeong-Eun

    2011-02-01

    The concentrations and removal efficiencies of various kinds of micropollutants were investigated and the relationships between the input sources of industrial wastewater and occurrence patterns of each micropollutant were identified at nine on-site industrial wastewater treatment plants (WWTPs). The distribution pattern of each compound varied according to the WWTP type and several micropollutants were significantly related with specific industries: chlorinated phenols (ClPhs) with paper and metal industries, polycyclic aromatic hydrocarbons (PAHs) with petrogenic- and pyrogenic-related industries, polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) with the paper industry, and chlorinated benzenes (ClBzs) with dye-related industries. The activated sludge (AS) process was very efficient in the removal of ClPhs and PAHs, and the filtration process in the removal of PCDD/Fs and 1,4-dioxane. Generally, the removal efficiencies of each micropollutant varied according to the WWTP type. PMID:21140016

  2. Studies on Excess Volume, Viscosity, and Speed of Sound of Binary Mixtures of Methyl Benzoate in Ethers at T=(303.15,308.15, and 313.15 K

    Directory of Open Access Journals (Sweden)

    M. V. Rathnam

    2013-01-01

    Full Text Available Densities, viscosities, and speed of sound have been determined at T = (303.15, 308.15, and 313.15 K for the binary mixtures of methyl benzoate with tetrahydrofuran, 1,4-dioxane, anisole, and butyl vinyl ether over the entire range of composition. Using these measured values, excess volume VE, deviation in viscosities Δη, excess Gibb’s free energy of activation for viscous flow ΔG*E, and deviation in isentropic compressibility Δks have been calculated. These calculated binary data have been fitted to Redlich-Kister equation to determine the appropriate coefficients. The values of excess volume VE and deviation in viscosities Δη are negative over the entire range of composition for all the binary systems at the studied temperatures. The behavior of these parameters with composition of the mixture has been discussed in terms of molecular interactions between the components of liquids.

  3. Heterocyclic Analogues of Xanthone and Xanthione. 1H-Pyrano[2,3-c:6,5-c]dipyrazol-4(7H-ones and Thiones: Synthesis and NMR Data

    Directory of Open Access Journals (Sweden)

    Wolfgang Holzer

    2010-09-01

    Full Text Available The synthesis of the title compounds is described. Reaction of 1-substituted 2-pyrazolin-5-ones with 5-chloro-1-phenyl-1H-pyrazole-4-carbonyl chloride or 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride, respectively, using calcium hydroxide in refluxing 1,4-dioxane gave the corresponding 4-heteroaroylpyrazol-5-ols, which were cyclized into 1H-pyrano[2,3-c:6,5-c]dipyrazol-4(7H-ones by treatment with K2CO3/DMF. The latter were converted into the corresponding thiones upon reaction with Lawesson’s reagent. Detailed NMR spectroscopic investigations (1H, 13C, 15N of the ring systems and their precursors are presented.

  4. Comparison of UVC/S2O8 2- with UVC/H2O2 in terms of efficiency and cost for the removal of micropollutants from groundwater

    DEFF Research Database (Denmark)

    Antoniou, Maria; Andersen, Henrik Rasmus

    2015-01-01

    This study compared the UVC/S2O8(2-) system with the more commonly used AOP in water industry, UVC/H2O2, and examined whether the first one can be an economically feasible alternative technology. Atrazine and 4 volatile compounds (methyl tert-butyl ether, cis-dichlorethen, 1,4-dioxane and 1......' concentrations were tested with atrazine alone and in the micropollutants' mixture and it was decided to use 11.8mgL(-1) S2O8(2-) and 14.9mgL(-1) H2O2 for further testing since is closer to industrial applications and to minimize the residual oxidant concentration. Changes of the matrix composition...... with the mixture of micropollutants gave better insights to their efficiency than atrazine alone and UVC/S2O8(2-) is recommended for selective oxidation of challenging matrices....

  5. Palladium-catalyzed direct desulfitative C2 arylations of 3-halo-N-protected indoles using (hetero)arenesulfonyl chlorides.

    Science.gov (United States)

    Hfaiedh, Anoir; Ben Ammar, Hamed; Soulé, Jean-François; Doucet, Henri

    2016-06-01

    The direct arylation of N-protected 3-haloindole derivatives with benzenesulfonyl chlorides as coupling partners using 5 mol% of bis(acetonitrile)dichloropalladium(ii) catalyst and lithium carbonate as a base in 1,4-dioxane was investigated. We demonstrated that both iodo and chloro substituents at the indolyl C3 position act as temporary blocking groups allowing the formation of 2-arylindoles through a direct desulfitative arylation, followed by in situ dehalogenation. While, from 3-bromoindole derivatives, 2-aryl-3-bromoindoles were obtained without debromination, and could be converted into 2,3-diarylindoles through a second palladium coupling. This method allows one to prepare in a few steps a very wide variety of indole derivatives, which are of interest in the synthesis of bioactive molecules. PMID:27171489

  6. Simple Synthesis of Sakuranetin and Selinone via a Common Intermediate, Utilizing Complementary Regioselectivity in the Deacetylation of Naringenin Triacetate.

    Science.gov (United States)

    Yamashita, Yasunobu; Hanaya, Kengo; Shoji, Mitsuru; Sugai, Takeshi

    2016-01-01

    Sakuranetin and selinone were successfully synthesized utilizing the regioselective deacetylation of naringenin triacetate. Deacetylation of the latter at C-7 with imidazole in 1,4-dioxane at 40°C furnished the corresponding diacetate in 80% yield. Methylation of the obtained free hydroxy group and subsequent removal of the remaining two acetyl groups gave sakuranetin, which was previously isolated as a phytoalexin against rice blast disease fungus, Pyricularia oryzae, in 71% overall yield. The same intermediate, naringenin triacetate, was subjected to transesterification with 2-propanol in tetrahydrofuran, catalyzed by Candida antarctica lipase B. A contrasting regioselective preference for C-4' deacetylation was observed, giving an isomeric diacetate in 82% yield. Prenylation of the free hydroxy group under Mitsunobu conditions and subsequent deprotection furnished selinone, which was previously isolated from Monotes engleri and exhibits antifungal activity against Candida albicans, in 55% overall yield. PMID:27373654

  7. Studies of linear correlation factor of dielectric polarization and excess dipolar free energies of amides in apolar solvents

    Indian Academy of Sciences (India)

    M Malathi; R Sabesan; S Krishnan

    2005-09-01

    The Kirkwood–Frohlich correlation factor (), Eyring's parameters and * and the dipolar excess free energies of dilute solutions of formamide, acetamide, -methyl acetamide, , -dimethyl formamide and , -dimethyl acetamide in 1,4-dioxan/benzene were obtained from a measurement of their static dielectric permittivities at 308 K. The fluid structure of these amides is discussed. Both in formamide and acetamide a dimeric linear chain with the individual dipoles more or less parallely oriented is preferred. In -methyl acetamide, the antiparallel orientation of dipoles at lower concentrations turns into a parallel orientation with increase of concentration. In tertiary amides, with increase of concentration, parallel orientation of dipoles with global value of tending to unity is observed. The dipolar excess free energy of mixing in a given solvent is of the order primary amide > secondary amide > tertiary amide.

  8. 利用二元体系的C-H红外光谱推算汽液平衡数据%Prediction of Vapor-Liquid Equilibrium Data from C-H Band Shift of IR Spectra in Some Binary Systems

    Institute of Scientific and Technical Information of China (English)

    朱霄; 姚加; 李浩然; 韩世钧

    2007-01-01

    Prediction of vapor-liquid equilibrium (VLE) is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is not economical. The infinite dilution activities can be used to predict VLE. However, it needs both thc ends of the activities that are difficult to obtain for many systems. In the present study, a new model is proposed for correlating the frequency shift of C-H stretching band of IR spectra over the whole concentration. Investigated mixtures include water/2-propanol, water/N, N-dimethylformamide (DMF), water/methanol, water/ethanol, water/1, 4-dioxane,and water/dimethylsulfoxidc (DMSO) systems. Simultaneous correlations of C-H frequency shift and VLE data arc made. Furthermore, the VLE data were predicted with satisfactory results by the parameters obtained from IR spectra coupled with one of the infinite dilution activity coefficients.

  9. Gold(I-catalyzed hydroarylation reaction of aryl (3-iodoprop-2-yn-1-yl ethers: synthesis of 3-iodo-2H-chromene derivatives

    Directory of Open Access Journals (Sweden)

    Pablo Morán-Poladura

    2013-10-01

    Full Text Available An efficient entry to the preparation of elusive 4-unsubstituted-3-iodo-2H-chromenes has been accomplished as result of a catalytic cyclization. Thus, upon exposition of [(3-iodoprop-2-yn-1-yloxy]arenes to IPrAuNTf2 (3 mol %, in 1,4-dioxane at 100 °C, the desired heterocyclic motif is readily assembled. This process nicely tolerates a variety of functional groups and, interestingly, it is compatible with the presence of strong electron-withdrawing groups attached to the arene. The overall transformation can be termed as a new example of a migratory cycloisomerization and, formally, it involves well-blended 1,2-iodine shift and hydroarylation steps.

  10. Antibacterial and preliminary phytochemical and physico-chemical analysis of Eucalyptus citriodora Hk leaf.

    Science.gov (United States)

    Vaghasiya, Y; Nair, R; Chanda, S

    2008-06-15

    The present communication deals with some studies on the antibacterial, physico-chemical and phytochemical parameters of different extracts of Eucalyptus citriodora leaf. The antibacterial study was performed using the agar ditch method on some clinically important bacteria, namely Pseudomonas pseudoalcaligenes, Proteus vulgaris, Citrobacter freundii, Staphylococcus subflava, Bacillus megaterium, and Enterobacter aerogenes. Physico-chemical parameters namely water, methanol, 1,4-dioxane, DMF, acetone soluble extractives, total ash, melting point, and pH were determined according to pharmacopoeial procedures. Methanol gave the maximum extract while it was minimum in water. Phytochemical parameters were screened for alkaloids, tannins, cardiac glycosides, saponins, steroids and flavonoids. Tannins and flavonoids gave positive results, while steroids and glycosides were absent. The most susceptible bacteria was C. freundii, while the most resistant was P. vulgaris. PMID:18569717

  11. PDMS/glass microfluidic cell culture system for cytotoxicity tests and cells passage

    DEFF Research Database (Denmark)

    Ziolkowska, K.; Jedrych, E.; Kwapiszewski, R.;

    2010-01-01

    In this paper, hybrid (PDMS/glass) microfluidic cell culture system (MCCS) integrated with the concentration gradient generator (CGG) is presented. PDMS gas permeability enabled cells' respiration in the fabricated microdevices and excellent glass hydrophilicity allowed successful cells' seeding....... The human lung carcinoma cells (A549) were cultured in the microdevice for several days. The growth and proliferation of cells was monitored using an inverted fluorescence microscope. After the cells' confluence was achieved in the microchambers, the novel method of cells' passaging in the designed...... microdevice was developed and successfully tested. The MCCS microdevice is fully reusable, i.e. it can be used several times for various cell culture and cytotoxic experiments. The suitability of designed MCCS for cell-based cytotoxicity assay application was verified using 1,4-dioxane as a model toxic agent...

  12. Selective hydrogenation of maleic anhydride over Pd/Al2O3 catalysts prepared via colloid deposition

    Indian Academy of Sciences (India)

    Hongjing Yuan; Chunlei Zhang; Weitao Huo; Chunli Ning; Yong Tang; Yi Zhang; Dequan Cong; Wenxiang Zhang; Jiahuan Luo; Su Li; Zhenlu Wang

    2014-01-01

    Pd/Al2O3 catalysts were prepared via colloid deposition and the performance of the catalysts was examined in the selective hydrogenation of maleic anhydride to succinic anhydride. When the reaction was carried on in a batch system with 1,4-dioxane as the solvent (353K and 1.0MPa), high conversion of maleic anhydride (>98%) and high selectivity (>99%) for succinic anhydride were observed after 5 h. The as-prepared Pd/Al2O3 catalyst also showed excellent performance in solvent-free system and fixed-bed systems. The maleic anhydride (MA) conversion was greater than 98%, and high selectivity (>99%) for succinic anhydride was obtained after 1600 h in a fixed bed reacter. The results showed that the activity of the Pd/Al2O3 catalysts was excellent due to its high active surface area.

  13. Henry’s constants and activity coefficients of some organic solutes in 1-butyl,3-methylimidazolium hydrogen sulfate and in 1-methyl,3-trimethylsilylmethylimidazolium chloride

    International Nuclear Information System (INIS)

    Highlights: ► New solubility data are reported for two ionic liquids. ► Density data are reported. ► Thermo-gravimetric analysis data are obtained. - Abstract: Using a customized capillary gas–liquid chromatography column, Henry’s constants and activity coefficients at infinite dilution are reported for benzene, toluene, ethyl acetate, 1,4-dioxane, 1,2-dimethoxyethane, acetonitrile, nitromethane, tetrahydrofuran, chloroform, methanol, ethanol, and 1-propanol in ionic liquids 1-butyl,3-methylimidazolium hydrogen sulfate [BMIM][HSO4] and 1-methyl,3-trimethylsilylmethylimidazolium [SiMIM][Cl] chloride from 313 to 413 K. These acidic ionic liquids may provide suitable media for acid-catalyzed chemical reactions.

  14. Synthesis and characterization of luminescent organic-inorganic hybrid nanocomposite from polyhedral oligomeric silsesquioxane

    Institute of Scientific and Technical Information of China (English)

    Yan

    2010-01-01

    A novel polyhedral oligomeric silsesquioxane (POSS)-based organic-inorganic hybrid nanocomposite (EF-POSS) was prepared by Pt-catalyzed hydrosilylation reaction of octahydridosilsesquioxane (T8H8, POSS) with a luminescent substituted acetylene (2-ethynyl-7-(4-(4-methylstyryl)styryl)-9,9-dioctyl-9H-fluorene (EF)) in high yield. The hybrid nanocomposite was soluble in common solvents such as CH2Cl2, CHCl3, THF and 1,4-dioxane. Its structure and property were characterized by FTIR, NMR, TGA, UV and PL, respectively. The results show that the hybrid nanocomposite with high thermal stability emits stable blue light as a result of photo excitation and possesses high photoluminescence quantum efficiency (φfL).

  15. Anti-inflammatory activity of extracts from leaves of Phyllanthus emblica.

    Science.gov (United States)

    Ihantola-Vormisto, A; Summanen, J; Kankaanranta, H; Vuorela, H; Asmawi, Z M; Moilanen, E

    1997-12-01

    Leaves and fruits of Phyllanthus emblica L. have been used for the anti-inflammatory and antipyretic treatment of rural populations in its growing areas in subtropical and tropical parts of China, India, Indonesia, and the Malay Peninsula. In the present study, leaves of Ph. emblica were extracted with ten different solvents (n-hexane, diethyl ether, methanol, tetrahydrofuran, acetic acid, dichloromethane, 1,4-dioxane, toluene, chloroform, and water). The inhibitory activity of the extracts against human polymorphonuclear leukocyte (PMN) and platelet functions was studied. Methanol, tetrahydrofuran, and 1,4-dioxane extracts (50 micrograms/ml) inhibited leukotriene B4-induced migration of human PMNs by 90% and N-formyl-L-methionyl-L-leucyl-L-phenylalanine (FMLP)-induced degranulation by 25-35%. The inhibitory activity on receptor-mediated migration and degranulation of human PMNs was associated with a high proportion of polar compounds in the extracts as assessed by normal phase thin layer chromatography. Diethyl ether extract (50 micrograms/ml) inhibited calcium ionophore A23187-induced leukotriene B4 release from human PMNs by 40%, thromboxane B2 production in platelets during blood clotting by 40% and adrenaline-induced platelet aggregation by 36%. Ellagic acid, gallic acid and rutin, all compounds isolated earlier from Ph. emblica, could not explain these inhibitory activities on PMNs or platelets by Ph. emblica extracts. These results show that the leaves of Ph. emblica have inhibitory activity on PMNs and platelets, which confirm the anti-inflammatory and antipyretic properties of this plant as suggested by its use in traditional medicine. The data suggest that the plant leaves contain as yet unidentified polar compound(s) with potent inhibitory activity on PMNs and chemically different apolar molecule(s) which inhibit both prostanoid and leukotriene synthesis.

  16. Systematic investigation of thorium(IV)- and uranium(IV)-ligand bonding in dithiophosphonate, thioselenophosphinate, and diselenophosphonate complexes.

    Science.gov (United States)

    Behrle, Andrew C; Barnes, Charles L; Kaltsoyannis, Nikolas; Walensky, Justin R

    2013-09-16

    Homoleptic soft-donor actinide complexes of the general form An[E2PROR']4 were synthesized from salt metathesis between ThCl4(DME)2 or UI4(1,4-dioxane)2 and M[E2PROR'], M = Na, K, to yield 2 (An = Th, E = S, R = 4-MeOC6H4, R' = Me), 3 (An = Th, E = S, R = 4-MeOC6H4, R' = (t)Bu), 4 (An = U, E = S, R = 4-MeOC6H4, R' = Me), 5 (An = Th, E = Se, R = C6H5, R' = Me), and 6 (An = U, E = Se, R = C6H5, R' = Me). In addition thorium and uranium thioselenophosphinate complexes 7 and 8 were produced from the reaction of ThCl4(DME)2 and UI4(1,4-dioxane)2 and Na[SSePPh2], respectively. All compounds were characterized using elemental analysis, (1)H and (31)P NMR, and IR spectroscopy, and the U(IV) compounds were also examined with UV-vis spectroscopy. The (77)Se NMR spectrum of 5 reveals the first reported resonance with a Th-Se bond. The solid-state structures of 2, 5, 7, and 8 were determined by X-ray crystallography. The actinide-ligand bonding was examined using density functional theory calculations in conjunction with quantum theory of atoms-in-molecules analysis and shows slightly increased covalency in actinide-selenium bonds than actinide-sulfur.

  17. Aqueous foam toxicology evaluation and hazard review

    Energy Technology Data Exchange (ETDEWEB)

    Archuleta, M.M.

    1995-10-01

    Aqueous foams are aggregates of bubbles mechanically generated by passing air or other gases through a net, screen, or other porous medium that is wetted by an aqueous solution of surface-active foaming agents (surfactants). Aqueous foams are important in modem fire-fighting technology, as well as for military uses for area denial and riot or crowd control. An aqueous foam is currently being developed and evaluated by Sandia National Laboratories (SNL) as a Less-Than-Lethal Weapon for the National Institute of Justice (NIJ). The purpose of this study is to evaluate the toxicity of the aqueous foam developed for the NIJ and to determine whether there are any significant adverse health effects associated with completely immersing individuals without protective equipment in the foam. The toxicity of the aqueous foam formulation developed for NIJ is determined by evaluating the toxicity of the individual components of the foam. The foam is made from a 2--5% solution of Steol CA-330 surfactant in water generated at expansion ratios ranging from 500:1 to 1000:1. SteoI CA-330 is a 35% ammonium laureth sulfate in water and is produced by Stepan Chemical Company and containing trace amounts (<0.1%) of 1,4-dioxane. The results of this study indicate that Steol CA-330 is a non-toxic, mildly irritating, surfactant that is used extensively in the cosmetics industry for hair care and bath products. Inhalation or dermal exposure to this material in aqueous foam is not expected to produce significant irritation or systemic toxicity to exposed individuals, even after prolonged exposure. The amount of 1,4-dioxane in the surfactant, and subsequently in the foam, is negligible and therefore, the toxicity associated with dioxane exposure is not significant. In general, immersion in similar aqueous foams has not resulted in acute, immediately life-threatening effects, or chronic, long-term, non-reversible effects following exposure.

  18. a Study of Volatile Precursors for the Growth of Cadmium Sulphide and Cadmium Selenide by Metal Organic Chemical Vapour Deposition.

    Science.gov (United States)

    Beer, Michael P.

    Available from UMI in association with The British Library. The wide-band-gap semiconductors, cadmium sulphide and cadmium selenide, may be grown by Metal Organic Chemical Vapour Deposition (MOCVD). This method typically involves the reaction of gaseous streams of Me_2 Cd and H_2Y (Y = S, Se) over a heated substrate (usually gallium arsenide) on which the desired compound is grown as an epitaxial layer. Unfortunately, the precursors start to react in the cold zone of the reactor, that is before they reach the heated substrate. This problem is known as prereaction. The problem of prereaction is partially reduced by the use of adducts of dimethyl cadmium in place of the free dialkyl compound although the mechanism by which such adducts block prereaction is unknown. Accordingly, a study of adducts of dimethyl cadmium was undertaken with a view to determining their properties in all phases. The adduct of Me_2Cd with 2,2^ '-bipyridyl was found to be monomeric in the solid state while that with 1,4-dioxane, a volatile compound used for prereaction reduction, was found to be polymeric. A study of adducts in the gas phase using mass spectrometry and gas phase Fourier transform infrared spectroscopy gave no evidence to suggest there is any gas phase association between 1,4-dioxane and dimethyl cadmium. With the 2,2 ^'-bipyridyl adduct some evidence for partial retention of coordinate bonds upon sublimation was obtained. The solid adduct of Me _2Cd with N,N,N^' ,N^'-tetramethylethylenediamine (TMEDA) was prepared as it was hoped that the flexibility of the aliphatic Lewis base would permit the formation of an adduct containing strong co-ordinate bonds which would remain intact upon sublimation. Using gas phase electron diffraction, the structure of the adduct of Me_2Cd and TMEDA was determined. It was shown to exist in the gas phase purely as the associated monomeric species. The adduct was then employed for the growth of CdS and CdSe in an industrial MOCVD apparatus. The

  19. 木质素模型化合物香草醛Mannich反应及其产物化学结构表征%Mannich Reaction of Lignin Model Compound Vanillin and Chemical Structure Characterization of Its Product

    Institute of Scientific and Technical Information of China (English)

    聂明才; 孔振武; 霍淑平; 吴国民; 陈健

    2012-01-01

    Vanillin aminated polyol(VAP) was prepared by vanillin, diethanolamine and paraformaldehyde in 1,4-dioxane by Mannich reaction. The effects of material ratio, reaction temperature, reaction time and solvent dosage on the Mannich reaction were investigated. It was observed the highest conversion rate of diethanolamine was up to 84.92 % by dropping 1,3-oxazolidine which was the reaction product of formaldehyde and diethanolamine at 60℃ for 2 h, into vanillin and reacting at 80 ℃ for 3 h in the molar ratio of n( vanillin) : n( formaldehyde) : n(diethanolamine) as 1 : 1 : 1 in 1,4-dioxane of 100 mL/mol vanillin. The chemical structure of vanillin aminated polyol was characterized by HPLC, LC-MS, FT-IR and 'H NMR, respectively.%以木质素模型化合物香草醛、二乙醇胺及多聚甲醛为原料,1,4-二氧杂环己烷为溶剂,通过Mannich反应合成了香草醛胺基多元醇,研究了物料配比、反应温度、时间及溶剂用量等因素对Mannich反应的影响.实验结果表明:反应物料按物质的量比n(香草醛):n(甲醛):n(二乙醇胺)1:1:1,甲醛与二乙醇胺60℃反应2h生成1,3-氧氮杂环戊烷,再将其滴入香草醛中,80℃反应3h,二氧六环溶剂用量为100 mL/mol(以香草醛的物质的量计),二乙醇胺的转化率最高可达到84.92%.采用HPLC、LC- MS、FT-IR及H NMR表征了香草醛胺基多元醇的化学结构,相对分子质量269.

  20. 相平衡法测定氯化聚丙烯在不同溶剂中的θ温度%Determination of Theta(θ)Temperature of Chlorinated Polypropylene in Different Solutions by Phase Equilibrium Method

    Institute of Scientific and Technical Information of China (English)

    唐四叶; 曹欣祥; 李仕辉

    2012-01-01

    The aim of this work was to determine the theta( 9) temperatures of chlorinated polypropylene in various solvents. Chlorinated polypropylene was separated into some fractions with different molecular weights using fractional precipitations by solvent/nonsolvent technique. The chlorinated polypropylene with different molecular weight was dissolved in different solvents at room temperature. The cloud point temperature of chlorinated polypropylene in ethylacetate, cyclohe.xane, butanone, 1,4 - dioxane were determined. The theta( 0) temperatures of chlorinated polypropylene in relative solvents were determined by linear regression analysis. The theta(0) temperatures of chlorinated polypropylene in ethylacetate, clohexane, butanone, 1,4 -dioxane were 362. 06 K, 354. 36 K, 351. 12 K and 349. 16 K respectively. The theta(0) temperature increased with the increase of interaction parameter.%本研究的目的是测定氯化聚丙烯在不同溶剂中的θ温度.用浊度法将氯化聚丙烯进行分级,得到相对分子质量不等的若干级分,将不同级分的氯化聚丙烯于室温下溶解在不同溶剂中,测定了不同级分的氯化聚丙烯在乙酸乙酯、环己烷、丁酮和1,4-二氧六环中的浊点温度,依据线性回归获得了氯化聚丙烯在乙酸乙酯、环己烷、丁酮和1,4-二氧六环中的θ温度.氯化聚丙烯在乙酸乙酯、环己烷、丁酮和二氧六环中的θ温度分别为362.06K、354.36K、351.12K和349.16K.θ温度随相互作用参数的增大而增大.

  1. Chemical models for cytochrome P450 as a biomimetic metabolic activation system in mutation assays.

    Science.gov (United States)

    Inami, Keiko; Mochizuki, Masataka

    2002-08-26

    DNA damage is a critical factor in carcinogenesis. The Ames assay is a short-term test that screens for DNA-damaging agents. To be detected in the assay, most carcinogens require oxidation by cytochrome P450, a component of the liver homogenate preparation (S9 mix) that is traditionally used to metabolize promutagens to an active form in vitro. A combination of iron(III) porphyrin plus an oxidant activates many promutagens by mimicking cytochrome P450 metabolism. We previously reported that the mutagenicity of the N-nitrosodialkylamines was detected following reaction with tetrakis(pentafluorophenyl)porphyrinatoiron(III) chloride (Fe(F(5)P)Cl) plus tert-butyl hydroperoxide (t-BuOOH), which yielded the same alcohols and aldehydes as the enzymatic reaction. In the present study, to extend the scope of biomimetic models, we tested the mutagenicity of other carcinogens exposed to chemical oxidation systems.We investigated the optimal assay conditions for the models in Salmonella typhimurium TA1538, a strain sensitive to frame-shift mutagens. We activated 2-aminofluorene (AF), benzo[a]pyrene (B[a]P), a tryptophane pyrolysate 3-amino-1-methyl-5H-pyrido[4,3-b]indole (Trp-P-2), and 2-acetylaminofluorene (AAF) with Fe(F(5)P)Cl plus an oxidant-t-BuOOH, m-chloroperoxybenzoic acid (mCPBA), or magnesium monoperoxyphthalate (MPPT)-and we noted the effect of three solvents-acetonitrile (CH(3)CN),1,4-dioxane, and N,N-dimethylformamide (DMF)-on AF activation. All the promutagens became mutagenic in the presence of Fe(F(5)P)Cl plus an oxidant, with the effectiveness of the oxidant varying with the chemical. Aromatic amines, for example, showed the strongest mutagenicity with t-BuOOH whereas polycyclic hydrocarbons showed the strongest mutagenicity with mCPBA. All the promutagens were mutagenic in the presence of Fe(F(5)P)Cl plus MPPT. For AF activation, the order of effectiveness of the solvents was CH(3)CN>1,4-dioxane>DMF. The results suggested that these systems would serve as

  2. Development of surrogate correlation models to predict trace organic contaminant oxidation and microbial inactivation during ozonation.

    Science.gov (United States)

    Gerrity, Daniel; Gamage, Sujanie; Jones, Darryl; Korshin, Gregory V; Lee, Yunho; Pisarenko, Aleksey; Trenholm, Rebecca A; von Gunten, Urs; Wert, Eric C; Snyder, Shane A

    2012-12-01

    The performance of ozonation in wastewater depends on water quality and the ability to form hydroxyl radicals (·OH) to meet disinfection or contaminant transformation objectives. Since there are no on-line methods to assess ozone and ·OH exposure in wastewater, many agencies are now embracing indicator frameworks and surrogate monitoring for regulatory compliance. Two of the most promising surrogate parameters for ozone-based treatment of secondary and tertiary wastewater effluents are differential UV(254) absorbance (ΔUV(254)) and total fluorescence (ΔTF). In the current study, empirical correlations for ΔUV(254) and ΔTF were developed for the oxidation of 18 trace organic contaminants (TOrCs), including 1,4-dioxane, atenolol, atrazine, bisphenol A, carbamazepine, diclofenac, gemfibrozil, ibuprofen, meprobamate, naproxen, N,N-diethyl-meta-toluamide (DEET), para-chlorobenzoic acid (pCBA), phenytoin, primidone, sulfamethoxazole, triclosan, trimethoprim, and tris-(2-chloroethyl)-phosphate (TCEP) (R(2) = 0.50-0.83) and the inactivation of three microbial surrogates, including Escherichia coli, MS2, and Bacillus subtilis spores (R(2) = 0.46-0.78). Nine wastewaters were tested in laboratory systems, and eight wastewaters were evaluated at pilot- and full-scale. A predictive model for OH exposure based on ΔUV(254) or ΔTF was also proposed.

  3. Occupational exposure to airborne chemical substances in paintings conservators

    Directory of Open Access Journals (Sweden)

    Anna Jeżewska

    2014-02-01

    Full Text Available Background: This paper presents the results of the quantitative study of the airborne chemical substances detected in the conservator's work environment. Material and Methods: The quantitative tests were carried out in 6 museum easel paintings conservation studios. The air test samples were taken at various stages of restoration works, such as cleaning, doubling, impregnation, varnishing, retouching, just to name a few. The chemical substances in the sampled air were measured by the GC-FID (gas chromatography with flame ionization detector test method. Results: The study results demonstrated that concentrations of airborne substances, e.g., toluene, 1,4-dioxane, turpentine and white spirit in the work environment of paintings conservators exceeded the values allowed by hygiene standards. It was found that exposure levels to the same chemical agents, released during similar activities, varied for different paintings conservation studios. It is likely that this discrepancy resulted from the indoor air exchange system for a given studio (e.g. type of ventilation and its efficiency, the size of the object under maintenance, and also from the methodology and protection used by individual employees. Conclusions: The levels of organic solvent vapors, present in the workplace air in the course of painting conservation, were found to be well above the occupational exposure limits, thus posing a threat to the worker's health. Med Pr 2014;65(1:33–41

  4. Theoretical insight into oxidative decomposition of propylene carbonate in the lithium ion battery.

    Science.gov (United States)

    Xing, Lidan; Wang, Chaoyang; Li, Weishan; Xu, Mengqing; Meng, Xuliang; Zhao, Shaofei

    2009-04-16

    The detailed oxidative decomposition mechanism of propylene carbonate (PC) in the lithium ion battery is investigated using density functional theory (DFT) at the level of B3LYP/6-311++G(d), both in the gas phase and in solvent. The calculated results indicate that PC is initially oxidized on the cathode to a radical cation intermediate, PC(*+), and then decomposes through three pathways, generating carbon dioxide CO(2) and radical cations. These radical cations prefer to be reduced on the anode or by gaining one electron from PC, forming propanal, acetone, or relevant radicals. The radicals terminate by forming final products, including trans-2-ethyl-4-methyl-1,3-dioxolane, cis-2-ethyl-4-methyl-1,3-dioxolane, and 2,5-dimethyl-1,4-dioxane. Among all the products, acetone is most easily formed. The calculations in this paper give detailed explanations of the experimental findings that have been reported in the literature and clarify the role of intermediate propylene oxide in PC decomposition. Propylene oxide is one of the important intermediates. As propylene oxide is formed, it isomerizes forming a more stabile product, acetone.

  5. Structural and functional characterization of the CAP domain of pathogen-related yeast 1 (Pry1) protein

    Science.gov (United States)

    Darwiche, Rabih; Kelleher, Alan; Hudspeth, Elissa M.; Schneiter, Roger; Asojo, Oluwatoyin A.

    2016-06-01

    The production, crystal structure, and functional characterization of the C-terminal cysteine-rich secretory protein/antigen 5/pathogenesis related-1 (CAP) domain of pathogen-related yeast protein-1 (Pry1) from Saccharomyces cerevisiae is presented. The CAP domain of Pry1 (Pry1CAP) is functional in vivo as its expression restores cholesterol export to yeast mutants lacking endogenous Pry1 and Pry2. Recombinant Pry1CAP forms dimers in solution, is sufficient for in vitro cholesterol binding, and has comparable binding properties as full-length Pry1. Two crystal structures of Pry1CAP are reported, one with Mg2+ coordinated to the conserved CAP tetrad (His208, Glu215, Glu233 and His250) in spacegroup I41 and the other without divalent cations in spacegroup P6122. The latter structure contains four 1,4-dioxane molecules from the crystallization solution, one of which sits in the cholesterol binding site. Both structures reveal that the divalent cation and cholesterol binding sites are connected upon dimerization, providing a structural basis for the observed Mg2+-dependent sterol binding by Pry1.

  6. Fabricating a pearl/PLGA composite scaffold by the low-temperature deposition manufacturing technique for bone tissue engineering

    Energy Technology Data Exchange (ETDEWEB)

    Xu Mingen; Li Yanlei; Suo Hairui; Wang Qiujun; Ge Yakun; Xu Ying [Center Laboratory of Biomanufacture and Tissue Engineering, Hang Zhou Dianzi University, Hangzhou 310018 (China); Yan Yongnian; Liu Li, E-mail: xumingen@tsinghua.edu.c, E-mail: xumingen@hdu.edu.c [Key Laboratory for Advanced Materials Processing Technology, Ministry of Education and Center of Organ Manufacturing, Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China)

    2010-06-15

    Here we developed a composite scaffold of pearl/poly(lactic-co-glycolic acid) (pearl/PLGA) utilizing the low-temperature deposition manufacturing (LDM). LDM makes it possible to fabricate scaffolds with designed microstructure and macrostructure, while keeping the bioactivity of biomaterials by working at a low temperature. Process optimization was carried out to fabricate a mixture of pearl powder, PLGA and 1,4-dioxane with the designed hierarchical structures, and freeze-dried at a temperature of -40 deg. C. Scaffolds with square and designated bone shape were fabricated by following the 3D model. Marrow stem cells (MSCs) were seeded on the pearl/PLGA scaffold and then cultured in a rotating cell culture system. The adhesion, proliferation and differentiation of MSCs into osteoblasts were determined using scanning electronic microscopy, WST-1 assay, alkaline phosphatase activity assay, immunofluorescence staining and real-time reverse transcription polymerase chain reaction. The results showed that the composite scaffold had high porosity (81.98 +- 3.75%), proper pore size (micropores: <10 mum; macropore: 495 +- 54 mum) and mechanical property (compressive strength: 0.81 +- 0.04 MPa; elastic modulus: 23.14 +- 0.75 MPa). The pearl/PLGA scaffolds exhibited better biocompatibility and osteoconductivity compared with the tricalcium phosphate/PLGA scaffold. All these results indicate that the pearl/PLGA scaffolds fulfill the basic requirements of bone tissue engineering scaffold.

  7. Development and validation of an ultra high-performance liquid chromatographic method for the determination of a diastereomeric impurity in (+)-pinoresinol diglucoside chemical reference substance.

    Science.gov (United States)

    Song, Jing-Zheng; Cheung, Lok Man; Liu, Xin; Qiao, Chun-Feng; Zhou, Yan; Li, Song-Lin; Chen, Shi-Lin; Xu, Hong-Xi

    2010-07-01

    (+)-Pinoresinol 4,4'-di-O-beta-D-glucopyranoside ((+)-PDG) is one of the major lignans with various pharmacological activities which could be isolated from Duzhong and other plant species. In this study, a diastereomeric impurity, (-)-pinoresinol 4,4'-di-O-beta-D-glucopyranoside ((-)-PDG), the main impurity was identified in (+)-PDG chemical reference substance (CRS) and a reliable chromatographic method for rapid purity determination of (+)-PDG CRS was firstly developed. The optimal chromatographic condition was found to be using ACN/1,4-dioxane-water (2.5:6:91.5, v/v/v) as mobile phase on a Waters Acquity UPLC HSS T3 column (2.1 mm x 100 mm, 1.8 microm) with column temperature of 37 degrees C. The method was validated and applied to determine the chromatographic purity of five (+)-PDG CRS samples. The content of (-)-PDG in four commercial (+)-PDG CRS was 8.47-20.30%, whereas no (-)-PDG was detected in our in-house prepared (+)-PDG CRS in which purity was confirmed to be 99.80%. The above results confirmed that this method is fast and highly efficient for purity determination of the (+)-PDG CRS.

  8. Innovative Protocols for in SITU MTBE Degradation by Using Molecular Probes-An Enhanced Chemical-Bio Oxidation Technique

    Energy Technology Data Exchange (ETDEWEB)

    Paul Fallgren

    2009-02-20

    In situ chemical oxidation (ISCO) is a common technology to cleanup petroleum hydrocarbon-contaminated soils and groundwater. Sodium percarbonate (SPC) is an oxidant which is activated by iron (Fe) to produce Fenton-like reactions. Western Research Institute, in conjunction with Regenesis and the U.S. Department of Energy, conducted a study that investigated the performance of a 'safe' oxidant, SPC, to cleanup groundwater and soils contaminated with petroleum hydrocarbons and associated contaminants (e.g., MTBE). Results from a field pilot test in Frenchglen, Oregon showed VOC concentrations in groundwater decreased substantially within 2 weeks after injecting activated SPC (RegenOx). A protocol was established for determining RegenOx TOD in soils and groundwater. Total oxidant demand tests were necessary to determine the correct dosage of RegenOx to apply in the field and sufficiently degrade the contaminants of concern. Bench studies with RegenOx showed this technology was effective in degrading diesel fuel and 1,4-dioxane. The Fe-silica activator (RegenOx Part B) was tested with another oxidant, sodium persulfate. Bench tests results showed the combination of sodium persulfate and RegenOx Part B was effective in reducing PCE, MTBE, benzene, and n-heptane concentrations in water. Overall, the results of this project indicated that most petroleum contaminants in soil and groundwater can be sufficiently degraded using the RegenOx technology.

  9. Epistemology of contaminants of emerging concern and literature meta-analysis.

    Science.gov (United States)

    Halden, Rolf U

    2015-01-23

    A meta-analysis was conducted to inform the epistemology, or theory of knowledge, of contaminants of emerging concern (CECs). The CEC terminology acknowledges the existence of harmful environmental agents whose identities, occurrences, hazards, and effects are not sufficiently understood. Here, data on publishing activity were analyzed for 12 CECs, revealing a common pattern of emergence, suitable for identifying past years of peak concern and forecasting future ones: dichlorodiphenyltrichloroethane (DDT; 1972, 2008), trichloroacetic acid (TCAA; 1972, 2009), nitrosodimethylamine (1984), methyl tert-butyl ether (2001), trichloroethylene (2005), perchlorate (2006), 1,4-dioxane (2009), prions (2009), triclocarban (2010), triclosan (2012), nanomaterials (by 2016), and microplastics (2022 ± 4). CECs were found to emerge from obscurity to the height of concern in 14.1 ± 3.6 years, and subside to a new baseline level of concern in 14.5 ± 4.5 years. CECs can emerge more than once (e.g., TCAA, DDT) and the multifactorial process of emergence may be driven by inception of novel scientific methods (e.g., ion chromatography, mass spectrometry and nanometrology), scientific paradigm shifts (discovery of infectious proteins), and the development, marketing and mass consumption of novel products (antimicrobial personal care products, microplastics and nanomaterials). Publishing activity and U.S. regulatory actions were correlated for several CECs investigated.

  10. Electrooptical Absorption Measurements (EOAM) Testify Existence of two Conformers of Prodan and Laurdan with Different Dipole Moments in Equilibrium Ground and Franck-Condon Excited State.

    Science.gov (United States)

    Nemkovich, N A; Detert, H; Roeder, N

    2016-09-01

    The results from the electrooptical absorption measurements (EOAM) on the equilibrium ground and excited Franck-Condon state dipole moments of Prodan and Laurdan in 1,4-dioxane are presented. As follows from experiments Prodan and Laurdan in the equilibrium ground and excited Franck-Condon state have two conformers with considerably different dipole moments. The electrical dipole moments and the transition dipole moment, obtained from the short-wavelength region of the absorption spectrum are parallel. The electrical dipole moments measured at the long-wavelength spectral region are parallel to each other but not parallel to the transition dipole moment m a. The angle θ between the transition dipole moment m a and the dipole moment in the equilibrium ground state μ g of the long-wavelength conformer is about 30(0) for both probes. Obtained results evidence that donor-acceptor pairs of the short-wavelength and long-wavelength conformers are not located on the same axis. Two low-energy conformers of Prodan have been found by density functional theory (DFT) calculations, differing in the orientation of the carbonyl group towards the naphthalene system. PMID:27396483

  11. Responses of the L5178Y mouse Lymphoma cell forward mutation assay. V: 27 coded chemicals.

    Science.gov (United States)

    McGregor, D B; Brown, A G; Howgate, S; McBride, D; Riach, C; Caspary, W J

    1991-01-01

    Twenty-seven chemicals were tested for their mutagenic potential in the L5178Y tk+/tk- mouse lymphoma cell forward mutation assay using procedures based upon those described by McGregor et al. (McGregor DB, Martin R, Cattanach P, Edwards I, McBride D, Caspary WJ (1987): Environ Mol Mutagen 9:143-160). Cultures were exposed to the chemicals for 4 hr, then cultured for 2 days before plating in soft agar with or without trifluorothymidine (TFT), 3 micrograms/ml. The chemicals were tested at least twice. Statistically significant responses were obtained with acid orange 10, aniline, benzaldehyde, o-chloroaniline, chlorodibromomethane, cytembena, 1,2-dibromo-4-(1,2-dibromomethyl) cyclohexane, dieldrin, lithocholic acid, oxytetracycline, phenazopyridine HCl, 1-phenyl-3-methyl-5-pyrazolone, sodium diethyldithiocarbamate, solvent yellow 14, tetraethylthiuram disulfide (disulfiram), 2,4-toluene diisocyanate, and 2,6-toluene diisocyanate. Apart from phenazopyridine HCl, acid orange 10, and solvent yellow 14, rat liver S9 mix was not a requirement for the mutagenic activity of these compounds. Chemical not identified as mutagens were N-4-acetylaminofluorene, chlorpheniramine maleate, chloropropamide, 1,4-dioxane, endrin, ethylene glycol, iron dextran, methapyrilene, sodium(2-ethylhexyl)alcohol PMID:1902415

  12. 表面活性剂对水溶性氮杂环卡宾钯催化Suzuki反应的影响%Influence of surfactant for the water-soluble N-heterocyclic carbene palladium catalyzed Suzuki reaction in water

    Institute of Scientific and Technical Information of China (English)

    柳云玲; 于宏伟; 贾莉; 施继成

    2012-01-01

    The influence of surfactant for the N-heterocyclic carbene palladium catalyst(5) with 15 of glycol units has been evaluated.It was found that those routine surfactants can recover the activity of the catalyst 5 for Suzuki reaction carried out in water to the level in 1,4-dioxane,affording another way to improve the activity of 5 in water.%开展了添加表面活性剂对带15个左右的乙二醇单元的氮杂环卡宾钯催化剂(5)在水介质中催化Suzuki偶联反应性能的影响研究;发现常见的阳离子或阴离子表面活性剂均可将催化剂5在水介质中的催化性能恢复到在二氧六环中的水平;故发现了一条提高催化剂5在水介质的性能途径.

  13. Development of surrogate correlation models to predict trace organic contaminant oxidation and microbial inactivation during ozonation.

    Science.gov (United States)

    Gerrity, Daniel; Gamage, Sujanie; Jones, Darryl; Korshin, Gregory V; Lee, Yunho; Pisarenko, Aleksey; Trenholm, Rebecca A; von Gunten, Urs; Wert, Eric C; Snyder, Shane A

    2012-12-01

    The performance of ozonation in wastewater depends on water quality and the ability to form hydroxyl radicals (·OH) to meet disinfection or contaminant transformation objectives. Since there are no on-line methods to assess ozone and ·OH exposure in wastewater, many agencies are now embracing indicator frameworks and surrogate monitoring for regulatory compliance. Two of the most promising surrogate parameters for ozone-based treatment of secondary and tertiary wastewater effluents are differential UV(254) absorbance (ΔUV(254)) and total fluorescence (ΔTF). In the current study, empirical correlations for ΔUV(254) and ΔTF were developed for the oxidation of 18 trace organic contaminants (TOrCs), including 1,4-dioxane, atenolol, atrazine, bisphenol A, carbamazepine, diclofenac, gemfibrozil, ibuprofen, meprobamate, naproxen, N,N-diethyl-meta-toluamide (DEET), para-chlorobenzoic acid (pCBA), phenytoin, primidone, sulfamethoxazole, triclosan, trimethoprim, and tris-(2-chloroethyl)-phosphate (TCEP) (R(2) = 0.50-0.83) and the inactivation of three microbial surrogates, including Escherichia coli, MS2, and Bacillus subtilis spores (R(2) = 0.46-0.78). Nine wastewaters were tested in laboratory systems, and eight wastewaters were evaluated at pilot- and full-scale. A predictive model for OH exposure based on ΔUV(254) or ΔTF was also proposed. PMID:23062789

  14. On the temperature dependence of amide I frequencies of peptides in solution.

    Science.gov (United States)

    Amunson, Krista E; Kubelka, Jan

    2007-08-23

    The temperature dependence of the amide I vibrational frequencies of peptides in solution was investigated. In D2O, the amide I' bands of both an alpha-helical oligopeptide, the random-coil poly(L-lysine), and the simplest amide, N-methyl acetamide (NMA), exhibit linear frequency shifts of approximately 0.07 cm(-1)/degrees C with increasing temperature. Similar amide I frequency shifts are also observed for NMA in both polar (acetonitrile and DMSO) and nonpolar (1,4-dioxane) organic solvents, thus ruling out hydrogen-bonding strength as the cause of these effects. The experimental NMA amide I frequencies in the organic solvents can be accurately described by a simple theory based on the Onsager reaction field with temperature-dependent solvent dielectric properties and a solute molecular cavity. DFT-level calculations (BPW91/cc-pVDZ) for NMA with an Onsager reaction field confirm the significant contribution of the molecular cavity to the predicted amide I frequencies. Comparison of the computations to experimental data shows that the frequency-dependent response of the reaction field, taken into account by the index of refraction, is crucial for describing the amide I frequencies in polar solvents. The poor predictions of the model for the NMA amide I band in D2O might be due, in part, to the unknown temperature dependence of the refractive index of D2O in the mid-IR range, which was approximated by the available values in the visible region.

  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

    2011-08-01

    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. Preparation and characterization of biopolymers comprising chitosan-grafted-ENR via acid-induced reaction of ENR50 with chitosan

    Directory of Open Access Journals (Sweden)

    M. R. H. Mas Haris

    2014-02-01

    Full Text Available This paper describes the first detailed tailored-approach for the preparation of biopolymers comprising chitosan (CTS grafted onto the backbone of epoxidized natural rubber (CTS-g-ENR. In a typical experiment, appropriate amount of CTS and AlCl3•6H2O was added to a specified amount of ENR50 (ENR with about 50% epoxy content dissolved in a dual-solvent consisting of 1,4-dioxane and water (97.5:2.5% v/v and the resulting mixture refluxed with continuous stirring for 6 hours. Nuclear magnetic resonance (NMR spectral analysis of a biocomposite, CTS-g-ENR-P1, revealed that its epoxy content is 22.36% which is considerably lower than 44.93% as determined for ENR50-control (ENR50 derivative obtained under similar experimental condition but in the absence of CTS. This means that the grafting of CTS onto the backbone of ENR had occurred. The revelation is affirmed by the presence of the characteristic absorption bands of CTS and ENR, and the appearance of new bands at 1219, 902 and 733 cm–1 in the Fourier transform infrared (FTIR spectrum of CTS-g-ENR-P1. Further evidence that CTS had been successfully grafted onto the backbone of ENR can be deduced and described in this paper from the data obtained by means of Differential Scanning Calorimetric analysis, Thermogravimetric analysis and Variable Pressure Scanning Electron Microscopy.

  17. Phosphazene-catalyzed ring-opening polymerization of ε-caprolactone: Influence of solvents and initiators

    KAUST Repository

    Alamri, Haleema

    2014-01-01

    Phosphazene base (t-BuP2) catalysed metal-free ring-opening polymerization of ε-caprolactone (ε-CL) at room temperature with various protic initiators in different solvents was investigated. The polymerization proceeded, in most cases, in a controlled manner to afford poly(ε-caprolactone) with low dispersities and expected molecular weights. Kinetic studies showed that when a primary alcohol was used as an initiator the polymerization rate in different solvents followed the order of dichloromethane ≫ toluene > 1,4-dioxane ≈ tetrahydrofuran. Extremely fast polymerization of l-lactide (LLA), which was added as a second monomer, was observed in different solvents giving rise to poly(ε-caprolactone)-b- poly(l-lactide) diblock copolymers with neat PLLA blocks despite incomplete conversion of ε-CL. The dependence of polymerization rate on the concentrations of ε-CL and t-BuP2 was also revealed. In addition to primary alcohol, the feasibility of using other protic initiators, such as secondary alcohol (either on a small molecule or a polymer chain-end), (aliphatic/aromatic) amide, carboxylic acid, phenol and thiophenol, was also investigated. These studies provided important information for designing a metal-free route towards polyester-based (bio)materials. © 2014 the Partner Organisations.

  18. Cultivation conditions and properties of extracellular crude lipase from the psychrotrophic fungus Penicillium chrysogenum 9'.

    Science.gov (United States)

    Bancerz, R; Ginalska, G; Fiedurek, J; Gromada, A

    2005-06-01

    Among 97 fungal strains isolated from soil collected in the arctic tundra (Spitsbergen), Penicillium chrysogenum 9' was found to be the best lipase producer. The maximum lipase activity was 68 units mL(-1) culture medium on the fifth day of incubation at pH 6.0 and 20 degrees C. Therefore, P. chrysogenum 9' was classified as a psychrotrophic microorganism. The non-specific extracellular lipase showed a maximum activity at 30 degrees C and pH 5.0 for natural oils or at pH 7.0 for synthetic substrates. Tributyrin was found to be the best substrate for lipase, among those tested. The Km and Vmax were calculated to be 2.33 mM and 22.1 units mL(-1), respectively, with tributyrin as substrate. The enzyme was inhibited more by EDTA than by phenylmethylsulfonyl fluoride and was reactivated by Ca2+. The P. chrysogenum 9' lipase was very stable in the presence of hexane and 1,4-dioxane at a concentration of 50%, whereas it was unstable in presence of xylene. PMID:15895263

  19. Assessing acute toxicity of effluent from a textile industry and nearby river waters using sulfur-oxidizing bacteria in continuous mode.

    Science.gov (United States)

    Gurung, Anup; Hassan, Sedky H A; Oh, Sang-Eun

    2011-10-01

    Bioassays are becoming an important tool for assessing the toxicity of complex mixtures of substances in aquatic environments in which Daphnia magna is routinely used as a test organism. Bioassays outweigh physicochemical analyses and are valuable in the decision-making process pertaining to the final discharge of effluents from wastewater treatment plants as they measure the total effect of the discharge which is ecologically relevant. In this study, the aquatic toxicity of a textile plant effluent and river water downstream from the plant were evaluated with sulfur-oxidizing bacterial biosensors in continuous mode. Collected samples were analysed for different physicochemical parameters and 1,4-dioxane was detected in the effluent. The effluent contained a relatively high chemical oxygen demand of 60 mg L(-1), which exceeded the limit set by the Korean government for industrial effluent discharges. Results showed that both the effluent and river waters were toxic to sulfur-oxidizing bacteria. These results show the importance of incorporating bioassays to detect toxicity in wastewater effluents for the sustainable management of water resources. PMID:22329151

  20. EFFECT OF SOLVENT ON THE BETA-O-4 BOND CLEAVAGE OF A LIGNIN MODEL COMPOUND BY TERT-BUTOXIDE UNDER MILD CONDITIONS

    Directory of Open Access Journals (Sweden)

    Yuji Matsumoto

    2011-11-01

    Full Text Available The beta-O-4 bond cleavage of a non-phenolic β-O-4 type dimeric lignin model compound, 2-(2-methoxyphenoxy-1-(3,4-dimethoxyphenyl-ethanol (III, was examined in systems using potassium tert-butoxide as a base (0.5 mol/l and tert-butanol (tBuOH, dimethylsulfoxide, 1,4-dioxane, or tetrahydrofuran as a solvent. The β-O-4 bond of compound III was cleaved in any system at 30°C, and 2-methoxyphenol (II was liberated. The amount of compound II liberated was close to the quantitative yield on the basis of the amount of compound III that disappeared, except for the treatment in the t-BuOH system. The reaction rate was dependent on what solvent was used. Half-life periods for these systems were roughly about 6.0, 3.0, 0.7, and 0.2h, respectively. It seemed that the rates were very high when the polarity of the solvents was low. Two reaction products generated from the aromatic ring with two methoxyl groups of compound III, 4-acetyl-1,2-dimethoxybenzene and 3,4-dimethoxybenzoic acid, were detected in all the systems. A peculiar reaction product, 1,2-dimethoxybenzene, was detected in a fairly large quantity, only when the latter two solvents with low polarities were applied.

  1. Thermophysical properties of binary mixtures of N,N-dimethylformamide with three cyclic ethers

    Directory of Open Access Journals (Sweden)

    Sinha Biswajit

    2013-01-01

    Full Text Available Densities and viscosities of the binary mixtures consisting of tetrahydrofuran (THF, 1,3-dioxolane (1,3-DO and 1,4-dioxane (1,4-DO with N,N-dimethylformamide (DMF over the entire range of composition were measured at temperatures 298.15, 308.15 and 318.15 K and at atmospheric pressure. Ultrasonic speeds of sound of these binary mixtures were measured at ambient temperature and atmospheric pressure (T = 298.15 K and P = 1.01×105 Pa. The various experimental data were utilized to derive excess molar volumes (VmE, excess viscosities (ηE, and excess isentropic compressibilities (κsE. Using the excess molar volumes (VmE, excess partial molar volumes (and and excess partial molar volumes at infinite dilution (and of each liquid component in the mixtures were derived and discussed. Excess molar volumes (VmE as a function of composition at ambient temperature and atmospheric pressure were used further to test the applicability of the Prigogine-Flory-Patterson (PFP theory to the experimental binaries. The excess properties were found to be either negative or positive depending on the nature of molecular interactions and structural effects of liquid mixtures. Em,1V Em,2VE0,m,1VE0,m,2V.

  2. Improved process for the synthesis of [2,2]-paracyclophane

    Science.gov (United States)

    Zhang, Long; Wang, Juan; Gao, Leng; Xu, Yulun; Gao, Weimin

    2006-01-01

    An improved method for the preparation of [2,2]-paracyclophane, which is the monomer of poly-p-xylene widely used as high quality electrical coating material, by Hoffmann elimination employing p-methyl-benzyl chloride and trimethyl amine as main raw materials was developed. Influence of solvent, reaction time, reaction temperature etal on the yield of paracyclophane was investigated experimentally. Suitable reaction parameters were obtained as follows: n(Alkali) : n(Quaternary ammonium) is 5:1; catalyst: 0.2% cupric salt; with 1,4-dioxane as solvent and 0.2% sodium borohydride as reducer, and N II as protection gas; reaction temperature 110°C, reaction time is 30 hr, at the condition, the yield of [2,2]-paracyclophane is 78.6%, its purity is over 99.5%, with melting point 284-285°C. Analysis results by IR and melting temperature measurement etal identify the substance synthesized is [2,2]-paracyclophane. And the materials used is industrially available and better yield was obtained comparing with the values present in the patent literatures.

  3. Solvent triggered structural diversity of triple-stranded helicates: single molecular magnets.

    Science.gov (United States)

    Li, Hongfeng; Chen, Peng; Sun, Wenbin; Zhang, Lei; Yan, Pengfei

    2016-02-21

    Multiple-stranded helicates are of interest in respect of their simplicity in geometry and significance in biology and materials. Bis-β-diketones have shown their advantage in terms of structure and geometry in the construction of multiple-stranded helicates, but further studies on their properties are limited due to their poor crystallization. In this study, solvents are found to play a decisive role in the crystallization of triple-stranded helicates. [Dy2(BTB)3(H2O)4] is used as a precursor to solvent-dependently crystallize three complexes [Dy2(BTB)3(CH3OH)4]·3CH3OH (1), [Dy2(BTB)3(DME)2] (2) and [Dy2(BTB)3(DOA)(H2O)2]·4.5DOA (3) (BTB = 3,3'-bis(4,4,4-trifluoro-1,3-dioxobutyl)biphenyl), where the key structural motif of the triple-stranded helicate, [Dy2(BTB)3], is retained. Four methanol molecules are found to ligate to Dy(3+) ions in 1, while each Dy(3+) ion is chelated by one DME molecule in 2. Interestingly, it is observed that 1,4-dioxane as a bridge ligates to two adjacent Dy(3+) ions, giving rise to the formation of a 1D chain structure. Magnetic measurement shows that 1 and 2 display slow magnetic relaxation under zero dc field, while single molecular magnet behavior is obtained for 3 under an applied dc field of 2000 Oe. PMID:26781997

  4. 稀土络合催化二氧化碳合成脂肪族聚碳酸酯%Study on synthesis of aliphatic polycarbonate from carbon dioxide by rare earth coordinated catalyst

    Institute of Scientific and Technical Information of China (English)

    郭锦棠; 王新英; 许涌深; 孙经武

    2001-01-01

    利用稀土磷酸酯盐和三异丁基铝组成的催化剂催化二氧化碳和环氧氯丙烷(ECH)共聚反应,合成出新型高分子材料脂肪族聚碳酸酯(ECHCO2)。考察不同稀土元素对组成的催化剂活性和共聚物分子量的影响。同时还研究了催化剂用量、1,4-二氧六环的用量、溶剂种类、反应温度、反应时间、水量及加水方式等对该反应的影响。%The catalyst composed of rare earth phosphonate and triisobutylaluminum was used to catalyze copolymerization of CO2 and epichlorohydrin(ECH)to synthesize polymer ECHCO2.The effects of the different rare earth in catalyst on catalytic activity and molecular weight of copolymer were studied.The reaction conditions such as dosages of catalyst,1,4-dioxane and water,solvent type,reaction temperature and time,adding method were also studied.

  5. Photoinduced intramolecular charge transfer of sodium 4-(N,N-dimethylamino)benzenesulfonate

    Institute of Scientific and Technical Information of China (English)

    林丽榕; 江云宝

    2000-01-01

    A new dual fluorescent N,N-dimethylaniline derivative, sodium 4-(N,N-dimethylamino)-benzenesulfonate (SDMAS), is reported. In SDMAS, the electron acceptor is linked to the phenyl ring via a sulfur atom at the para-position of the electron donor. It was found that SDMAS emits dual fluorescence only in highly polar solvent water but not in organic solvents such as formamide, methanol and acetonitrile. In organic solvents only a single-band emission at ca.360 nm was observed in the short wavelength region. The dual fluorescence of SDMAS in water was found at 365 and 475 nm, respectively. Introduction of organic solvent such as ethanol, acetonitrile, and 1,4-dioxane into aqueous solution of SDMAS leads to blue-shift and quenching of the long-wavelength emission. Measurements of steady-state and picosecond time-resolved fluorescence indicate that the long wavelength fluorescence is emitted from a charge transfer (CT) state that is populated from the locally excited (LE) state, with the latter giving off the

  6. Theoretical characterization of McReynolds' constants

    Energy Technology Data Exchange (ETDEWEB)

    Rajko, Robert [Department of Unit Operations and Environmental Engineering, College Faculty of Food Engineering, University of Szeged, H-6701 Szeged, P.O. Box 433 (Hungary)]. E-mail: rajko@sol.cc.u-szeged.hu; Koertvelyesi, Tamas [Department of Physical Chemistry, University of Szeged, H-6701 Szeged, P.O. Box 105 (Hungary)]. E-mail: kortve@chem.u-szeged.hu; Sebok-Nagy, Krisztina [Chemical Research Center, Hungarian Academy of Sciences, H-1525 Budapest, P.O. Box 17 (Hungary); Goergenyi, Miklos [Department of Physical Chemistry, University of Szeged, H-6701 Szeged, P.O. Box 105 (Hungary)

    2005-12-04

    The properties of McReynolds' constants were studied by a detailed statistical/chemometric analysis. The electronic structure, geometries and hydrophobicity of the McReynolds' test compounds (benzene, 1-butanol, 2-pentanone, 1-nitropropane, pyridine, 2-methyl-2-pentanol, 1-iodobutane, 2-octyne, 1,4-dioxane and cis-hidrindane) were calculated at the level of PM3 semiempirical quantum chemical method and empirical formulas. The predominant pattern was revealed using cluster and principal component analyses (CA and PCA). Dependence of McReynolds' constants on the calculated chemical descriptors was modeled by multiple linear regression (MLR) with stepwise selections, principal component regression (PCR) and partial least-square regression (PLSR). A novel statistical approach was developed for case-and-variable selection using the PCR and PLSR methods for characterizing and modeling the polarity of 25 gas chromatography (GC) stationary phases (phthalates, adipates, sebacates, phosphates, citrates and nitrils). Highest occupied molecular orbital energy, dipole moment, averaged isotropic polarizability and the apolar solvent accessible surface area; and energy of the lowest unoccupied molecular orbital and total solvent accessible surface area were suitable to describe the McReynolds' constants based on the results obtained using Q {sup 2} and adjusted-Q {sup 2}. Six of the 10 test compounds were found to be sufficient for the description of the polarity of the columns studied.

  7. 2D simulation of transport and degradation in the River Rhine.

    Science.gov (United States)

    Teichmann, L; Reuschenbach, P; Müller, B; Horn, H

    2002-01-01

    A simple 2D model has been developed for the simulation of mass transport and degradation of substances in the river Rhine. The model describes mass transport in the flow direction with a convective and a dispersive term. Transversal transport is described by segmenting the river and formulating a transversal exchange coefficient between the segments. Degradation can be formulated with any kinetics from first order to complex enzyme kinetics. The model was verified with monitoring data from the river Rhine. The hydrodynamic parameters such as dispersion coefficients and exchange coefficients were fitted to the conductivity, which was assumed to be non-degradable. The degradation term was fitted to ammonia values. The model was used to simulate measured concentrations of a readily (Aniline) and a poorly biodegradable substance (1,4-Dioxan) 10 m from the left river bank. It was the objective of this research program to develop a model which allows a realistic estimation of the locally and regionally predicted environmental concentration of chemical substances in the EU risk assessment scheme.

  8. Laboratory shake flask batch tests can predict field biodegradation of aniline in the Rhine.

    Science.gov (United States)

    Toräng, Lars; Reuschenbach, Peter; Müller, Britta; Nyholm, Niels

    2002-12-01

    The aim of this study was to compare degradation rates of aniline in laboratory shake flask simulation tests with field rates in the river Rhine. The combined events of a low flow situation in the Rhine and residual aniline concentrations in the effluent from the BASF treatment plant in Ludwigshafen temporarily higher than normal, made it possible to monitor aniline at trace concentrations in the river water downstream the wastewater outlet by means of a sensitive GC headspace analytical method. Aniline was analyzed along a downstream gradient and the dilution along the gradient was calculated from measurements of conductivity, sulfate and a non-readily biodegradable substance, 1,4-dioxane. Compensating dilution, field first-order degradation rate constants downstream the discharge of BASF were estimated at 1.8 day(-1) for two different dates with water temperatures of 21.9 and 14.7 degrees C, respectively. This field rate estimate was compared with results from 38 laboratory shake flask batch tests with Rhine water which averaged 1.5 day(-1) at 15 degrees C and 2.0 day(-1) at 20 degrees C. These results indicate that laboratory shake flask batch tests with low concentrations of test substance can be good predictors of degradation rates in natural water bodies--at least as ascertained here for short duration tests with readily degradable compounds among which aniline is a commonly used reference.

  9. RING OPENING COPOLYMERIZATION OF SUCCINIC ANHYDRIDE-ETHYLENE OXIDE BY Al (Ⅲ) ORGANOMETALLIC CATALYSTS

    Institute of Scientific and Technical Information of China (English)

    CHEN Xianhai; ZHANG Yifeng; SHEN Zhiquan

    1997-01-01

    Ring opening copolymerization of succinic anhydride (SA) with ethylene oxide (EO)was successfully carried out by using a series of aluminum-based catalyst in 1,4-dioxane at 62±2℃. The results showed that in-situ AlR3-H2O (R=ethyl, iso-butyl) catalysts gave higher molecular weight ((-M)w ~ 104), while Al(OR)3 catalysts gave the higher alternating copolymer structure with slightly lower molecular weight. The in-situ AlR3-H2O systems have been evaluated in more detail for the reaction which showed the optimum H2O/Al molar ratio to be 0.5. The copolymers with different composition (FSA/FEO = 36/64 to 45/55 mol/mol) were synthesized by using different monomer feed ratio. The melting point (Tm), glass transition temperature (Tg) and enthalpy of fusion (ΔHf) of these copolymers are depended on the copolymer composition and in the range of 87~ 102℃,-12 ~ -18℃, and 37 ~ 66J/g, respectively. The second heating scan of DSC also indicated that the higher alternating copolymer was more easily recrystallized. The onset decomposition temperature was more than 300℃ under nitrogen and influenced by the copolymer composition.

  10. Hierarchical polymeric scaffolds support the growth of MC3T3-E1 cells.

    Science.gov (United States)

    Akbarzadeh, Rosa; Minton, Joshua A; Janney, Cara S; Smith, Tyler A; James, Paul F; Yousefi, Azizeh-Mitra

    2015-02-01

    Tissue engineering makes use of the principles of biology and engineering to sustain 3D cell growth and promote tissue repair and/or regeneration. In this study, macro/microporous scaffold architectures have been developed using a hybrid solid freeform fabrication/thermally induced phase separation (TIPS) technique. Poly(lactic-co-glycolic acid) (PLGA) dissolved in 1,4-dioxane was used to generate a microporous matrix by the TIPS method. The 3D-bioplotting technique was used to fabricate 3D macroporous constructs made of polyethylene glycol (PEG). Embedding the PEG constructs inside the PLGA solution prior to the TIPS process and subsequent extraction of PEG following solvent removal (1,4-dioaxane) resulted in a macro/microporous structure. These hierarchical scaffolds with a bimodal pore size distribution (300 μm) contained orthogonally interconnected macro-channels generated by the extracted PEG. The diameter of the macro-channels was varied by tuning the dispensing parameters of the 3D bioplotter. The in vitro cell culture using murine MC3T3-E1 cell line for 21 days demonstrated that these scaffolds could provide a favorable environment to support cell adhesion and growth.

  11. Cosmetics use and age at menopause: is there a connection?

    Science.gov (United States)

    Chow, Erika T; Mahalingaiah, Shruthi

    2016-09-15

    Cosmetics contain a vast number of chemicals, most of which are not under the regulatory purview of the Food and Drug Administration. Only a few of these chemicals have been evaluated for potential deleterious health impact: parabens, phthalates, polycyclic aromatic hydrocarbons, and siloxanes. A review of the ingredients in the best-selling and top-rated products of the top beauty brands in the world, as well as a review of highlighted chemicals by nonprofit environmental organizations, reveals 11 chemicals and chemical families of concern: butylated hydroxyanisole/butylated hydroxytoluene, coal tar dyes, diethanolamine, formaldehyde-releasing preservatives, parabens, phthalates, 1,4-dioxane, polycyclic aromatic hydrocarbons, siloxanes, talc/asbestos, and triclosan. Age at menopause can be affected by a variety of mechanisms, including endocrine disruption, failure of DNA repair, oxidative stress, shortened telomere length, and ovarian toxicity. There is a lack of available studies to make a conclusion regarding cosmetics use and age at menopause. What little data there are suggest that future studies are warranted. Women with chronic and consistent use of cosmetics across their lifespan may be a population of concern. More research is required to better elucidate the relationship and time windows of vulnerability and the effects of mixtures and combinations of products on ovarian health. PMID:27545020

  12. Fragranced consumer products and undisclosed ingredients

    International Nuclear Information System (INIS)

    Fragranced consumer products-such as air fresheners, laundry supplies, personal care products, and cleaners-are widely used in homes, businesses, institutions, and public places. While prevalent, these products can contain chemicals that are not disclosed to the public through product labels or material safety data sheets (MSDSs). What are some of these chemicals and what limits their disclosure? This article investigates these questions, and brings new pieces of evidence to the science, health, and policy puzzle. Results from a regulatory analysis, coupled with a chemical analysis of six best-selling products (three air fresheners and three laundry supplies), provide several findings. First, no law in the U.S. requires disclosure of all chemical ingredients in consumer products or in fragrances. Second, in these six products, nearly 100 volatile organic compounds (VOCs) were identified, but none of the VOCs were listed on any product label, and one was listed on one MSDS. Third, of these identified VOCs, ten are regulated as toxic or hazardous under federal laws, with three (acetaldehyde, chloromethane, and 1,4-dioxane) classified as Hazardous Air Pollutants (HAPs). Results point to a need for improved understanding of product constituents and mechanisms between exposures and effects

  13. Muscadine grape seed oil as a novel source of tocotrienols to reduce adipogenesis and adipocyte inflammation.

    Science.gov (United States)

    Zhao, Lu; Yagiz, Yavuz; Xu, Changmou; Lu, Jiang; Chung, Soonkyu; Marshall, Maurice R

    2015-07-01

    Tocotrienols are unsaturated forms of vitamin E previously shown to reduce adipogenesis and adipose inflammation. In this study, muscadine grape seed oil (MGSO) was identified as a novel source of tocotrienols containing significant amounts of α- and γ-tocotrienol (T3) with minor seasonal changes. The aim of this study was to assess the anti-adipogenic and anti-inflammatory potential of MGSO by using primary human adipose-derived stem cells (hASCs). Differentiating hASCs were treated with MGSO and compared with rice bran and olive oil. Accumulation of triglyceride was significantly lower in MGSO-treated hASCs than rice bran and olive oils. A tocotrienol rich fraction (TRF) from MGSO was prepared by solid phase extraction and eluted with 15% 1,4-dioxane in hexane. The MGSO-derived TRF treatment significantly reduced mRNA and protein expression that are crucial to adipogenesis (e.g., PPARγ and aP2) in hASCs. Furthermore, TRF from MGSO markedly reduced LPS-induced proinflammatory gene expression in human adipocytes and cytokine secretion to the medium (IL-6 and IL-8). Collectively, our work suggests that MGSO is a stable and reliable natural source of T3 and MGSO may constitute a new dietary strategy to attenuate obesity and its associated adipose inflammation. PMID:26073057

  14. NEW POLY(METHACRYLATE)S CONTAINING OXIME ESTERS MOIETIES BASED ON CYCLOHEXANON AND CYCLOPENTANON

    Institute of Scientific and Technical Information of China (English)

    Ibrahim Erol

    2008-01-01

    The synthesis of two new methacrylates such as 2-[(cyclohexylideneamino)oxy]-2-oxoethyl methylacrylate (CHOEMA) and 2-[(cyclopentylideneamino)oxy]-2-oxoethyl methylacrylate (CPOEMA) are described. The monomers produced from the reaction of corresponding cyclohexanone O-(2-chloroacetyl) oxime and cyclopentanone O-(2-chloroacetyl) oxime with sodium methacrylate was polymerized in 1,4-dioxane solution at 65℃ using AIBN as an initiator. The monomers and their polymers were characterized by IR, 1H- and 13C-NMR spectroscopy. The glass transition temperature of the polymers was investigated by DSC and the apparent thermal decomposition activation energies (ED) were calculated by Ozawa and multiple heating rate kinetics (MHRK) method using the Shimadzu TGA thermobalance. By using gel permeation chromatography, weight-average (Mw) and number-average (Mn) molecular weights and polydispersity indices of the polymers were determined. The antibacterial and antifungal effects of the monomers and polymers were also investigated on various bacteria and fungi. The photochemical properties of the polymers were investigated by UV and FTIR spectra.

  15. Mechanism of Positive Allosteric Modulators Acting on AMPA Receptors

    Energy Technology Data Exchange (ETDEWEB)

    Jin,R.; Clark, S.; Weeks, A.; Dudman, J.; Gouaux, E.; Partin, K.

    2005-01-01

    Ligand-gated ion channels involved in the modulation of synaptic strength are the AMPA, kainate, and NMDA glutamate receptors. Small molecules that potentiate AMPA receptor currents relieve cognitive deficits caused by neurodegenerative diseases such as Alzheimer's disease and show promise in the treatment of depression. Previously, there has been limited understanding of the molecular mechanism of action for AMPA receptor potentiators. Here we present cocrystal structures of the glutamate receptor GluR2 S1S2 ligand-binding domain in complex with aniracetam [1-(4-methoxybenzoyl)-2-pyrrolidinone] or CX614 (pyrrolidino-1, 3-oxazino benzo-1, 4-dioxan-10-one), two AMPA receptor potentiators that preferentially slow AMPA receptor deactivation. Both potentiators bind within the dimer interface of the nondesensitized receptor at a common site located on the twofold axis of molecular symmetry. Importantly, the potentiator binding site is adjacent to the 'hinge' in the ligand-binding core 'clamshell' that undergoes conformational rearrangement after glutamate binding. Using rapid solution exchange, patch-clamp electrophysiology experiments, we show that point mutations of residues that interact with potentiators in the cocrystal disrupt potentiator function. We suggest that the potentiators slow deactivation by stabilizing the clamshell in its closed-cleft, glutamate-bound conformation.

  16. The radiolysis in the nuclear-chemical extraction systems

    International Nuclear Information System (INIS)

    In the first part, the progress of research works including spent fuel reprocessing of nuclear power reactor, process chemistry of uranium, plutonium, actinides, lanthanoids and fission products and radiation chemistry including photochemistry is reviewed. in the second part, works of the author in radiation processes and photochemical processes in extraction systems used in spent fuel reprocessing of nuclear power reactor, (namely) in tri-n-butylphosphate, di-n-butylphosphate, tritolylphosphate, di-n-butyl-butylphosphonate bis(2-ethylhexyl)phosphoric acid, cobalt(III) dicarbollide, nitrobenzene, carbon tetrachloride, chlorobenzene and its one-phase and liquid-liquid two-phase systems with water or nitric acid solutions, and crown-ethers (12-crown-4, 15-crown-5, dicyclohexano-24-crown-8 and their analogues tetrahydrofuran and 1,4-dioxane) which were studied with GC-MS, GC-FTIR, HPLC, capillary isotachophoresis, UV-VIS and EPR spectroscopy, preparative or laser flash photolysis, steady state and pulse radiolysis and other methods are reviewed.(author) The 24 papers is presented in the appendix. 469 refs., 17 tabs. 2 figs

  17. Epistemology of Contaminants of Emerging Concern and Literature Meta-analysis

    Science.gov (United States)

    Halden, Rolf U.

    2014-01-01

    A meta-analysis was conducted to inform the epistemology, or theory of knowledge, of contaminants of emerging concern (CECs). The CEC terminology acknowledges the existence of harmful environmental agents whose identities, occurrences, hazards, and effects are not sufficiently understood. Here, data on publishing activity were analyzed for 12 CECs, revealing a common pattern of emergence, suitable for identifying past years of peak concern and forecasting future ones: dichlorodiphenyltrichloroethane (DDT; 1972, 2008), trichloroacetic acid (TCAA; 1972, 2009), nitrosodimethylamine (1984), methyl tert-butyl ether (2001), trichloroethylene (2005), perchlorate (2006), 1,4-dioxane (2009), prions (2009), triclocarban (2010), triclosan (2012), nanomaterials (by 2016), and microplastics (2022 ± 4). CECs were found to emerge from obscurity to the height of concern in 14.1 ± 3.6 years, and subside to a new baseline level of concern in 14.5 ± 4.5 years. CECs can emerge more than once (e.g., TCAA, DDT) and the multifactorial process of emergence may be driven by inception of novel scientific methods (e.g., ion chromatography, mass spectrometry and nanometrology), scientific paradigm shifts (discovery of infectious proteins), and the development, marketing and mass consumption of novel products (antimicrobial personal care products, microplastics and nanomaterials). Publishing activity and U.S. regulatory actions were correlated for several CECs investigated. PMID:25294779

  18. Copolymers of N-(4-bromophenyl-2-methacrylamide with 2-hydroxyethyl methacrylate

    Directory of Open Access Journals (Sweden)

    2007-09-01

    Full Text Available The radical-initiated copolymerization of N-(4-bromophenyl-2-methacrylamide (BrPMAAm with 2-hydroxyethylmethacrylate (HEMA was carried out in 1,4-dioxane solution at 70°C using 2,2’-azobisisobutyronitrile (AIBN as an initiator with different monomer-to-monomer ratios in the feed. The copolymers were characterized by FTIR, 1H- and 13C-NMR spectral studies. Gel permeation chromatography was employed for estimating the weight average (Mw and number average (Mn molecular weights and polydispersity index (PDI of the copolymers. The copolymer composition was evaluated by nitrogen content (N for BrPMAAm-units in polymers, which allowed the determination of reactivity ratios. Monomer reactivity ratios for BrPMAAm (M1-HEMA (M2 pair were determined by the application of conventional linearization methods such as Fineman-Ross (F-R, Kelen-Tüdõs (KT and Extended Kelen-Tüdõs (EKT and a nonlinear error invariable model method using a computer program RREVM. The characterizations were done thermogravimetric analysis (TGA. The antimicrobial effects of polymers were also tested on various bacteria, and yeast.

  19. Conventional and atom transfer radical copolymerization of phenoxycarbonylmethyl methacrylate-styrene and thermal behavior of their copolymers

    Directory of Open Access Journals (Sweden)

    2007-08-01

    Full Text Available The atom transfer radical polymerization (ATRP of phenoxycarbonylmethyl methacrylate (PCMMA with styrene (St were performed in bulk at 110°C in the presence of ethyl 2-bromoacetate, cuprous(Ibromide (CuBr, and N,N,N’,N”,N”-pentamethyldiethyltriamine. Also, a series conventional free-radical polymerization (CFRP of PCMMA and styrene were carried out in the presence of 2,2’-azobisisobutyronitrile in 1,4-dioxane solvent at 60°C. The structure of homo and copolymers was characterized by IR, 1H and 13C-NMR techniques. The composition of the copolymers was calculated by 1H-NMR spectra. The average-molecular weight of the copolymers were investigated by Gel Permeation Chromatography (GPC. For copolymerization system, their monomer reactivity ratios were obtained by using both Kelen-Tüdõs and Fineman-Ross equations. Thermal analysis measurements of homo- and copolymers prepared CFRP and ATRP methods were measured by TGA-50 and DSC-50. Blends of poly(PCMMA and poly(St obtained via ATRP method have been prepared by casting films from dichlorormethane solution. The blends were characterized by differential scanning calorimetry. The initial decomposition temperatures of the resulting copolymers increased with increasing mole fraction of St.

  20. Epistemology of contaminants of emerging concern and literature meta-analysis.

    Science.gov (United States)

    Halden, Rolf U

    2015-01-23

    A meta-analysis was conducted to inform the epistemology, or theory of knowledge, of contaminants of emerging concern (CECs). The CEC terminology acknowledges the existence of harmful environmental agents whose identities, occurrences, hazards, and effects are not sufficiently understood. Here, data on publishing activity were analyzed for 12 CECs, revealing a common pattern of emergence, suitable for identifying past years of peak concern and forecasting future ones: dichlorodiphenyltrichloroethane (DDT; 1972, 2008), trichloroacetic acid (TCAA; 1972, 2009), nitrosodimethylamine (1984), methyl tert-butyl ether (2001), trichloroethylene (2005), perchlorate (2006), 1,4-dioxane (2009), prions (2009), triclocarban (2010), triclosan (2012), nanomaterials (by 2016), and microplastics (2022 ± 4). CECs were found to emerge from obscurity to the height of concern in 14.1 ± 3.6 years, and subside to a new baseline level of concern in 14.5 ± 4.5 years. CECs can emerge more than once (e.g., TCAA, DDT) and the multifactorial process of emergence may be driven by inception of novel scientific methods (e.g., ion chromatography, mass spectrometry and nanometrology), scientific paradigm shifts (discovery of infectious proteins), and the development, marketing and mass consumption of novel products (antimicrobial personal care products, microplastics and nanomaterials). Publishing activity and U.S. regulatory actions were correlated for several CECs investigated. PMID:25294779

  1. Thin nanostructured crystalline TiO{sub 2} films and their applications in solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Cheng Yajun

    2007-06-15

    Research on thin nanostructured crystalline TiO{sub 2} films has attracted considerable interests because of their intriguing physical properties and potential applications in photovoltaics. Nanostructured TiO{sub 2} film plays an important role in the TiO{sub 2} based dye-sensitized solar cells because they act as a substrate for the adsorption of dye molecules and a matrix for the transportation of electrons as well. Thus they can influence the solar cell performance significantly. Consequently, the control of the morphology including the shape, size and size distribution of the TiO{sub 2} nanostructures is critical to tune and optimize the performance of the solar cells. To control the TiO{sub 2} morphology, a strategy using amphiphilic block copolymer as templating agent coupled with sol-gel chemistry has been applied. Especially, a good-poor solvent pair induced phase separation process has been developed to guide the microphase separation behavior of the block copolymers. The amphiphilic block copolymers used include polystyrene-block-poly (ethylene oxide) (PS-b-PEO), poly (methyl methacrylate)-block-poly (ethylene oxide) (PMMA-b-PEO), and poly (ethylene oxide)-block-polystyrene-block-poly (ethylene oxide) (PEO-b-PS-b-PEO). The block copolymer undergoes a good-poor-solvent pair induced phase separation in a mixed solution of 1, 4-dioxane or N, N-dimethyl formamide (DMF), concentrated hydrochloric acid (HCl) and Titanium tetraisopropoxide (TTIP). Specifically, in the system of PS-b-PEO, a morphology phase diagram of the inorganic-copolymer composite films was mapped by adjusting the weight fractions among 1, 4-dioxane, HCl, and TTIP in solution. The amorphous TiO{sub 2} within the titania-block copolymer composite films was crystallized by calcination at temperatures above 400 C, where the organic block copolymer was simultaneously burned away. This strategy is further extended to other amphiphilic block copolymers of PMMA-b-PEO and PEO-b-PS-b-PEO, where the

  2. Preparation and properties of cellulose triacetate forward osmosis membrane%三乙酸纤维素正渗透膜的制备与性能

    Institute of Scientific and Technical Information of China (English)

    解利昕; 辛婧; 解奥

    2014-01-01

    Cellulose triacetate based membranes for forward osmosis were prepared by immersion precipitation. The polymer solution consisted of cellulose triacetate as the membrane material, 1,4-dioxane and acetone as solvent,methanol and lactic acid as additives. Casting composition and preparation conditions-1,4-dioxane/acetone ratio,lactic acid content,evaporation time,casting thickness and annealing temperature-were tested for their effects on membrane performance. The optimized membrane showed 14.10L/(m2·h) water flux and 0.031mol/(m2·h) reverse solute flux using a feed solution of pure water and draw solution of 0.56mol/L CaCl2. When 0.1mol/L NaCl was used as the feed solution and 4mol/L glucose was used as the draw solution,water flux was above 5L/(m2·h) and rejection for NaCl was above 99%. The optimized membrane had a more hydrophilic surface, higher water flux,higher salt resistance and better membrane performance than the HTI membrane.%以三乙酸纤维素(CTA)为膜材料,1,4-二氧六环、丙酮为溶剂,甲醇、乳酸为添加剂,采用相转换法制备了三乙酸纤维素正渗透膜。研究了不同1,4-二氧六环/丙酮配比、添加剂乳酸含量、挥发时间、膜厚度、热处理温度条件下正渗透膜性能的变化规律。研究表明,当采用纯水为原料液,0.56mol/L CaCl2为汲取液时,优化制备的CTA正渗透膜的水通量达到14.10L/(m2·h),溶质反扩散量为0.031mol/(m2·h);采用0.1mol/L NaCl为原料液,4mol/L葡萄糖为汲取液时,优化制备的CTA正渗透膜的水通量保持在5L/(m2·h)以上,对NaCl的截留率大于99%。CTA正渗透膜相比于HTI膜,具有较高的亲水性、水通量、截留率,稳定性更好。

  3. Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.

    Science.gov (United States)

    Behrle, Andrew C; Kerridge, Andrew; Walensky, Justin R

    2015-12-21

    We report a comparison of the molecular and electronic structures of dithio- and diselenophosphinate, (E2PR2)(1-) (E = S, Se; R = (i)Pr, (t)Bu), with thorium(IV) and uranium(IV) complexes. For the thorium dithiophosphinate complexes, reaction of ThCl4(DME)2 with 4 equiv of KS2PR2 (R = (i)Pr, (t)Bu) produced the homoleptic complexes, Th(S2P(i)Pr2)4 (1S-Th-(i)Pr) and Th(S2P(t)Bu2)4 (2S-Th-(t)Bu). The diselenophosphinate complexes were synthesized in a similar manner using KSe2PR2 to produce Th(Se2P(i)Pr2)4 (1Se-Th-(i)Pr) and Th(Se2P(t)Bu2)4 (2Se-Th-(t)Bu). U(S2P(i)Pr2)4, 1S-U-(i)Pr, could be made directly from UCl4 and 4 equiv of KS2P(i)Pr2. With (Se2P(i)Pr2)(1-), using UCl4 and 3 or 4 equiv of KSe2P(i)Pr2 yielded the monochloride product U(Se2P(i)Pr2)3Cl (3Se-U(iPr)-Cl), but using UI4(1,4-dioxane)2 produced the homoleptic U(Se2P(i)Pr2)4 (1Se-U-(i)Pr). Similarly, the reaction of UCl4 with 4 equiv of KS2P(t)Bu2 yielded U(S2P(t)Bu2)4 (2S-U-(t)Bu), whereas the reaction with KSe2P(t)Bu2 resulted in the formation of U(Se2P(t)Bu2)3Cl (4Se-U(tBu)-Cl). Using UI4(1,4-dioxane)2 and 4 equiv of KSe2P(t)Bu2 with UCl4 in acetonitrile yielded U(Se2P(t)Bu2)4 (2Se-U-(t)Bu). Transmetalation reactions were investigated with complex 2Se-U-(t)Bu and various CuX (X = Br, I) salts to yield U(Se2P(t)Bu2)3X (6Se-U(tBu)-Br and 7Se-U(tBu)-I) and 0.25 equiv of [Cu(Se2P(t)Bu2)]4 (8Se-Cu-(t)Bu). Additionally, 2Se-U-(t)Bu underwent transmetalation reactions with Hg2F2 and ZnCl2 to yield U(Se2P(t)Bu2)3F (6) and U(Se2P(t)Bu2)3Cl (4Se-U(tBu)-Cl), respectively. The molecular structures were analyzed using (1)H, (13)C, (31)P, and (77)Se NMR and IR spectroscopy and structurally characterized using X-ray crystallography. Using the QTAIM approach, the electronic structure of all homoleptic complexes was probed, showing slightly more covalent bonding character in actinide-selenium bonds over actinide-sulfur bonds.

  4. Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.

    Science.gov (United States)

    Behrle, Andrew C; Kerridge, Andrew; Walensky, Justin R

    2015-12-21

    We report a comparison of the molecular and electronic structures of dithio- and diselenophosphinate, (E2PR2)(1-) (E = S, Se; R = (i)Pr, (t)Bu), with thorium(IV) and uranium(IV) complexes. For the thorium dithiophosphinate complexes, reaction of ThCl4(DME)2 with 4 equiv of KS2PR2 (R = (i)Pr, (t)Bu) produced the homoleptic complexes, Th(S2P(i)Pr2)4 (1S-Th-(i)Pr) and Th(S2P(t)Bu2)4 (2S-Th-(t)Bu). The diselenophosphinate complexes were synthesized in a similar manner using KSe2PR2 to produce Th(Se2P(i)Pr2)4 (1Se-Th-(i)Pr) and Th(Se2P(t)Bu2)4 (2Se-Th-(t)Bu). U(S2P(i)Pr2)4, 1S-U-(i)Pr, could be made directly from UCl4 and 4 equiv of KS2P(i)Pr2. With (Se2P(i)Pr2)(1-), using UCl4 and 3 or 4 equiv of KSe2P(i)Pr2 yielded the monochloride product U(Se2P(i)Pr2)3Cl (3Se-U(iPr)-Cl), but using UI4(1,4-dioxane)2 produced the homoleptic U(Se2P(i)Pr2)4 (1Se-U-(i)Pr). Similarly, the reaction of UCl4 with 4 equiv of KS2P(t)Bu2 yielded U(S2P(t)Bu2)4 (2S-U-(t)Bu), whereas the reaction with KSe2P(t)Bu2 resulted in the formation of U(Se2P(t)Bu2)3Cl (4Se-U(tBu)-Cl). Using UI4(1,4-dioxane)2 and 4 equiv of KSe2P(t)Bu2 with UCl4 in acetonitrile yielded U(Se2P(t)Bu2)4 (2Se-U-(t)Bu). Transmetalation reactions were investigated with complex 2Se-U-(t)Bu and various CuX (X = Br, I) salts to yield U(Se2P(t)Bu2)3X (6Se-U(tBu)-Br and 7Se-U(tBu)-I) and 0.25 equiv of [Cu(Se2P(t)Bu2)]4 (8Se-Cu-(t)Bu). Additionally, 2Se-U-(t)Bu underwent transmetalation reactions with Hg2F2 and ZnCl2 to yield U(Se2P(t)Bu2)3F (6) and U(Se2P(t)Bu2)3Cl (4Se-U(tBu)-Cl), respectively. The molecular structures were analyzed using (1)H, (13)C, (31)P, and (77)Se NMR and IR spectroscopy and structurally characterized using X-ray crystallography. Using the QTAIM approach, the electronic structure of all homoleptic complexes was probed, showing slightly more covalent bonding character in actinide-selenium bonds over actinide-sulfur bonds. PMID:26636609

  5. Inductance-based sensing technique for wireless,remote-query measurement in liquid media

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    A novel inductance-based sensing technique is presented for remote query measurement in different liquid media including organic solvents and inorganic solutions.The inorganic solutions tested included salt solutions of different concentrations,and the organic solvents detected included 1,4-dioxane and tetrahydrofuran.To extend the application of the sensor,bacterial culture media were also detected,and the growth of Escherichia coli (E.coli) was controlled.The influential factors which may affect the inductance responses were studied in detail.It was found that quantitative relationships exist between the sensor’s inductance response and the physico-chemical parameters of the liquid media.The sensor’s inductance response (L) decreases with the increase of salt concentration (C) and its ionic valence (e) according to a semi-logarithmic equation LgL =-aeC + b,where a and b are constants,which is in accordance with the theoretically deduced equation.The inductance variation rate (ΔK) increases directly with the temperature (T): ΔK = a′ T + b′.As for organic solutions,the sensor’s inductance was found to increase with the increasing permittivity of the organic solution.The wireless sensor we designed is simple and easy to manipulate.It has the potential for remote determination of not only chemical substances but also microbiological species such as bacteria.Using the newly developed inductance-based sensor,the pathogenic E.coli was monitored with a limit of detection of 10 cells/mL and a linear semi-logarithmic range of 1.0 × 101 to 2.5 × 109 cells/mL.

  6. Thermodynamics of mixtures containing oxaalkanes. 6. Random mixing in ether + benzene, or + toluene systems

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, Juan Antonio, E-mail: jagl@termo.uva.es [G.E.T.E.F., Departamento de Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, 47071 Valladolid (Spain); Garcia De La Fuente, Isaias; Cobos, Jose Carlos; Mozo, Ismael; Alonso, Ivan [G.E.T.E.F., Departamento de Fisica Aplicada, Facultad de Ciencias, Universidad de Valladolid, 47071 Valladolid (Spain)

    2011-02-20

    The Flory model has been applied to linear or cyclic ether + benzene, or +toluene mixtures. In addition, the relative variation of the molar excess enthalpy, H{sub m}{sup E}, along homologous series of the considered systems, has been discussed taking into account the contributions to H{sub m}{sup E} from the ether-ether, aromatic-aromatic and ether-aromatic interactions. It has been shown that in CH{sub 3}(CH{sub 2}){sub u-1}O(CH{sub 2}CH{sub 2}O){sub v}(CH{sub 2}){sub u-1}CH{sub 3} + benzene mixtures, the u increase (v fixed) leads to a weakening of interactions between unlike molecules, and that proximity effects also weaken this type of interactions. In contrast, the v increase (u fixed) or cyclization lead to stronger interactions between unlike molecules. From the application of the model, it is concluded that the random mixing hypothesis may be considered to be valid to a large extent for many of the investigated solutions. Erroneously, strong orientational effects are predicted for 1,3-dioxolane, or 1,4-dioxane + benzene systems, but this has been attributed to the model can not describe asymmetric H{sub m}{sup E} curves when the mixture compounds show close values for V{sub i} (molar volume) and for V{sub i}{sup *} (reduction parameter for volume). Previous calculations on the basis of the Kirkwood-Buff integrals formalism confirm that the mixture structure is close to random mixing. Flory results on the excess molar volumes have been discussed taking into account the so-called curvature and P* contributions to this excess function.

  7. Study on the Chemical Compositions of Valeriana Jatamansi%蜘蛛香的化学成分研究

    Institute of Scientific and Technical Information of China (English)

    李元旦; 李蓉涛; 李海舟

    2011-01-01

    目的:对蜘蛛香根中的化学成分进行研究.方法:采用硅胶柱色谱,羟丙基葡萄糖凝胶柱层析Sephadex LH-20及HPLC(高效液相色谱)等分离纯化手段,从蜘蛛香(Valeriana jatamansi)根中分离出了17个化合物,通过理化性质和光谱数据分析.结果:分别被鉴定为(3S,4R,5S,7S,8S,9S)-3,8-epoxy-7-hydroxy-4,8-dimethylper-hydrocyclopenta[c]pyran(1),(3S,4S,5S,7S,8S,9S)-3,8-ethoxy-7-hydroxy-4,8-dimethylperhydrocyclopenta[c]pyran(2),4-β-hydroxy-8-β-methoxy-10-methylene-2,9-dioxatricyclo[4.3.1.03.7]decan(3),6-hydroxy-7-(hydroxymethyl)-4-methyl-enehexahydrocyclopenta[c]pyran-1-(3H)-one(4),jatamansi A(5),jatamansi G(6),8-hydroxypinoresinol(7),2,5-di(4-hydroxy-3-methoxyphenyl)-1,4-dioxan(8),pinoresinol(9),(+)-2-(3,4-dimethoxyphenyl)-6-(3,4-dihydroxyphenyl)-2,7-dioxabi-cyclo[3,3,0]octane(10),pinoresinol monomethyl ether(11),prinsepoil(12),(-)-massoniresinol(13),cinnamolide(14),valeriananoid A(15),valeriananoid C(16)和volvatrate A(17).结论:化合物3、4和17与化合物7~14为首次在该植物中发现.

  8. SYNTHESIS AND CHARACTERIZATION OF AN ACRYLATE POLYMER CONTAINING CHLORINE-1,3-DIOXALANE GROUPS IN SIDE CHAINS

    Institute of Scientific and Technical Information of China (English)

    Zulfiye (I)lter; Ferhat Alhanl(ι); Fatih Do(g)an; (I)smet Kaya

    2012-01-01

    Poly[2-(4-chlorophenyl)-l,3-dioxolan-4-yl]methyl acrylate,poly(CPhDMA),was synthesized with radical polymerization process using 2,2′-azobisisobutyronitrile as radical initiator in 1,4-dioxane at 60℃.The structure of poly(CPhDMA) was confirmed by means of UV-Vis,FT-IR,1H-NMR,and 13C-NMR spectral techniques.The molecular weight distribution values of the polymer were determined with gel permeation chromatography (GPC).The number-average molecular weight (Mn),weight-average molecular weight (Mw) and polydispersity index (PDI) values of poly(CPhDMA) were determined to be 10300,21600 and 2.097,respectively.The thermal degradation kinetics of the polymer was investigated by using TG/DTG-DTA and DSC analyses at different heating rates in dynamic nitrogen atmosphere.The apparent activation energy values obtained by Flynn-Wall-Ozawa and Friedman methods were found to be 91.68 and 85.23 kJ mol-1,respectively,for thermal decomposition of poly(CPhDMA).Also,the thermal degradation activation energy value of poly(CPhDMA) was calculated by using the Kissinger method based on the DTG,DTA and DSC data.Then the mechanism function of it was determined by master plots method.Finally,electrical and optical properties of poly(CPhDMA) were determined by four-point probe and UV-Vis techniques,respectively.

  9. Femtosecond and temperature-dependent picosecond dynamics of ultrafast excited-state proton transfer in water-dioxane mixtures.

    Science.gov (United States)

    Freitas, Adilson A; Quina, Frank H; Maçanita, António A L

    2014-11-13

    Synthetic flavylium salts like the 7-hydroxy-4-methylflavylium (HMF) cation have been used as prototypes to study the chemistry and photochemistry of anthocyanins, the major group of water-soluble pigments in the plant kingdom. In this work, a combination of fluorescence upconversion with femtosecond time resolution and time-correlated single photon counting (TCSPC) with picosecond time resolution have been employed to investigate in details the excited-state proton transfer (ESPT) of HMF in water and in binary water/1,4-dioxane mixtures. TCSPC measurements as a function of temperature provide activation parameters for all of the individual rate constants involved in the proton transfer, including those for dissociation and recombination of the geminate excited base-proton pair (A*···H(+)) that can be detected in the water/dioxane mixtures (but not in water). Unlike the other rate constants, the deprotonation rate constant kd shows a non-Arrhenius dependence on temperature in both water and water/dioxane mixtures. At low temperatures kd is close to the dielectric relaxation rate of the solvent with a barrier of ca. 8 kJ mol(-1), suggesting that the solvent reorganization is the rate-limiting step. At higher temperatures (>30 °C) the proton transfer process is nearly barrierless and solvent-dependent. Fluorescence upconversion results in H2O, D2O, and water/dioxane mixtures confirm the two-step model for the ESPT of HMF and provide additional details of the early events prior to the onset of proton transfer, attributed to conformational relaxation and solvent reaccommodation around the initially formed excited state. The results are consistent with DFT calculations that indicate that charge redistribution occurs after rather than prior to the onset of the ESPT process.

  10. A Systematic Approach to Evaluate Herb-Drug Interaction Mechanisms: Investigation of Milk Thistle Extracts and Eight Isolated Constituents as CYP3A Inhibitors

    Science.gov (United States)

    Brantley, Scott J.; Graf, Tyler N.; Oberlies, Nicholas H.

    2013-01-01

    Despite increasing recognition of potential untoward interactions between herbal products and conventional medications, a standard system for prospective assessment of these interactions remains elusive. This information gap was addressed by evaluating the drug interaction liability of the model herbal product milk thistle (Silybum marianum) with the CYP3A probe substrate midazolam. The inhibitory effects of commercially available milk thistle extracts and isolated constituents on midazolam 1′-hydroxylation were screened using human liver and intestinal microsomes. Relative to vehicle, the extract silymarin and constituents silybin A, isosilybin A, isosilybin B, and silychristin at 100 μM demonstrated >50% inhibition of CYP3A activity with at least one microsomal preparation, prompting IC50 determination. The IC50s for isosilybin B and silychristin were ∼60 and 90 μM, respectively, whereas those for the remaining constituents were >100 μM. Extracts and constituents that contained the 1,4-dioxane moiety demonstrated a >1.5-fold shift in IC50 when tested as potential mechanism-based inhibitors. The semipurified extract, silibinin, and the two associated constituents (silybin A and silybin B) demonstrated mechanism-based inhibition of recombinant CYP3A4 (KI, ∼100 μM; kinact, ∼0.20 min−1) but not microsomal CYP3A activity. The maximum predicted increases in midazolam area under the curve using the static mechanistic equation and recombinant CYP3A4 data were 1.75-fold, which may necessitate clinical assessment. Evaluation of the interaction liability of single herbal product constituents, in addition to commercially available extracts, will enable elucidation of mechanisms underlying potential clinically significant herb-drug interactions. Application of this framework to other herbal products would permit predictions of herb-drug interactions and assist in prioritizing clinical evaluation. PMID:23801821

  11. Solvent dependence of Stokes shift for organic solute-solvent systems: A comparative study by spectroscopy and reference interaction-site model-self-consistent-field theory

    Science.gov (United States)

    Nishiyama, Katsura; Watanabe, Yasuhiro; Yoshida, Norio; Hirata, Fumio

    2013-09-01

    The Stokes shift magnitudes for coumarin 153 (C153) in 13 organic solvents with various polarities have been determined by means of steady-state spectroscopy and reference interaction-site model-self-consistent-field (RISM-SCF) theory. RISM-SCF calculations have reproduced experimental results fairly well, including individual solvent characteristics. It is empirically known that in some solvents, larger Stokes shift magnitudes are detected than anticipated on the basis of the solvent relative permittivity, ɛr. In practice, 1,4-dioxane (ɛr = 2.21) provides almost identical Stokes shift magnitudes to that of tetrahydrofuran (THF, ɛr = 7.58), for C153 and other typical organic solutes. In this work, RISM-SCF theory has been used to estimate the energetics of C153-solvent systems involved in the absorption and fluorescence processes. The Stokes shift magnitudes estimated by RISM-SCF theory are ˜5 kJ mol-1 (400 cm-1) less than those determined by spectroscopy; however, the results obtained are still adequate for dipole moment comparisons, in a qualitative sense. We have also calculated the solute-solvent site-site radial distributions by this theory. It is shown that solvation structures with respect to the C-O-C framework, which is common to dioxane and THF, in the near vicinity (˜0.4 nm) of specific solute sites can largely account for their similar Stokes shift magnitudes. In previous works, such solute-solvent short-range interactions have been explained in terms of the higher-order multipole moments of the solvents. Our present study shows that along with the short-range interactions that contribute most significantly to the energetics, long-range electrostatic interactions are also important. Such long-range interactions are effective up to 2 nm from the solute site, as in the case of a typical polar solvent, acetonitrile.

  12. A Convenient Approach to Heterocyclic Building Blocks: Synthesis of Novel Ring Systems Containing a [5,6]Pyrano[2,3-c]pyrazol-4(1H-one Moiety

    Directory of Open Access Journals (Sweden)

    Wolfgang Holzer

    2007-01-01

    Full Text Available Starting from commercially available educts, a straightforward synthetic route to new heterocyclic building blocks is exemplified with the one- or two-step synthesis of tri-, tetra-, or pentacyclic ring systems. Representatives of the following novel ring systems are prepared from 3-methyl-1-phenyl-2-pyrazolin-5-one and the corresponding o-halo-arenecarbonyl chloride using calcium hydroxide in refluxing 1,4-dioxane: pyrimidino[4',5':5,6]pyrano[2,3-c]pyrazol-4(1H-one, thieno[3',2':5,6]pyrano[2,3c]pyrazol- 4-(1H-one, thieno[3',4':5,6]pyrano[2,3-c]pyrazol-4(1H-one, thieno[3'',2'':4',5']thieno[2',3':5,6]-pyrano[2,3-c]pyrazol-4(1H-one, [1,3]dioxolo[5',6'][1]benzothieno[2',3':5,6]pyrano-[2,3-c]- pyrazol-4(1H-one, pyridazino[4',3':5,6]pyrano[2,3-c]pyrazol-4(1H-one and pyrazolo-[4'',3'':5',6']pyrido[3',4':5,6]pyrano[2,3-c]pyrazol-4(1H-one. While the latter two ring systems are directly obtained due to a spontaneous intramolecular substitution reaction, in the other reactions uncyclised 4-aroylpyrazol-5-ols are produced, which are cyclised into the target heterocycles in a subsequent synthetic step (i.e. treatment with NaH in DMF. Detailed NMR spectroscopic investigations (1H-, 13C-, 15N- with the obtained compounds were undertaken to unambiguously prove the new structures.

  13. A review of quality surveillance projects on cosmetics in Taiwan

    Directory of Open Access Journals (Sweden)

    Meng-Hsuan Chung

    2014-12-01

    Full Text Available The Food and Drug Administration in Taiwan is responsible for the quality regulation and control of cosmetics. In order to have a clear understanding of the trends in the product quality monitoring outcomes and the regulatory control measures over the past years, this study has put together the reports of nine cosmetic surveillance projects conducted between 1982 and 2012. The findings can be used as a reference in developing a more solid quality monitoring plan and management system for cosmetic products. Results show that permanent wave products, hair dye products, and phthalate esters in cosmetic products have the highest average noncompliance rates at 39.2%, 14.2%, and 11.2%, respectively. These are followed by the average noncompliance rates of mercury in products, sunscreen products, and microorganisms in products, at 8.5%, 7.1%, and 5.5%, respectively, and the remaining three projects averaging below 4.1%. Since 1997, when new standards were announced and assistance to manufacturers was reinforced, the noncompliance rates of permanent wave products decreased annually, until 2007, when it was fully qualified for the standards. Overall, the study showed that the noncompliance rates of permanent wave products and for levels of phthalate esters, mercury, and hydroquinone in cosmetic products have all decreased in the previous years. The results of surveillance projects conducted after 2005 revealed only one noncompliance sample with lead, arsenic, and cadmium, whereas the surveillance projects on permanent wave products and chloroform- and 1,4-dioxane-containing products revealed full compliance with regulation standards. However, the noncompliance rates for microorganisms in cosmetics and the ingredients in hair dye products and sunscreen products were still high. These high-risk products must be monitored. These surveillance projects are conducted to ensure the safety of cosmetics in the market.

  14. A Simple Spectrophotometric Method for the Determination of Copper in Some Real, Environmental, Biological, Food and Soil Samples Using Salicylaldehyde Benzoyl Hydrazone

    Directory of Open Access Journals (Sweden)

    M. Jamaluddin Ahmed

    2012-06-01

    Full Text Available A very simple, ultra-sensitive, highly selective and non-extractive spectrophotometric method for the determination of trace amounts copper(II has been developed. Salicylaldehy debenzoyl hydrazone (SAL-BH has been proposed as a new analytical reagent for the direct non-extractive spectrophotometric determination of copper(II. SAL-BH reacts with copper in a slightly acidic (0.0001-0.005 M H2SO4 in 40% 1,4-dioxane media with copper(II to give a highly absorbent greenish yellow chelate with a molar ratio 1:1(CuII: SAL-BH The reaction is instantaneous and the maximum absorption was obtained at 404 nm and remains stable for 72 h. The average molar absorptivity and Sandell’s sensitivity were found to be 1.4×105 L mol-1 cm-1 and 5.0 ng cm-2 of copper(II, respectively. Linear calibration graphs were obtained for 0.01 – 18 mg L-1 of CuII. The detection limit and quantification limit of the reaction system were found to be 1 ng mL-1 and 10 µg L-1, respectively. A large excess of over 50 cations, anions and complexing agents (e.g., tartrate, oxalate, citrate, phosphate, thiocyanate etc. do not interfere in the determination. The method is highly selective for copper and was successfully used for the determination of copper in several standard reference materials (steels and alloys as well as in some environmental waters (portable and polluted, biological (human blood and urine, food and soil samples and solutions containing both copper(I and copper(II as well as some complex synthetic mixtures. The results of the proposed method for biological and food samples were comparable with AAS and were found to be in good agreement. The method has high precision and accuracy (s = ± 0.01 for 0.5 mg L-1.

  15. Transport of Indium, Gallium and Thallium Metal Ions Through Chromatographic Fiber Supported Solid Membrane in Acetylacetone Containing Mixed Solvents

    Institute of Scientific and Technical Information of China (English)

    Abaji Gaikwad

    2011-01-01

    The transport of metal ions of indium, gallium and thallium from source solution to receiving phase through the chromatographic fiber supported solid membrane in the acetylacetone (HAA) containing mixed solvent system has been explored. The fibers supported solid membranes were prepared with chemical synthesis from cellulose fibers and citric acid with the carboxylic acid ion exchange groups introduced. The experimental variables, such as concentration of metal ions (10^-2 to 10^-4 mol.L^-1) in the source solution, mixed solvent composition [for exampl, e, acetylacetone, (2,4-pentanedione), (HAA) 20% (by volume), 1,4-dioxane 10% to 60% and HC1 0.25 to 2 mol.L^-1] in the receiving phase and stirring speed (50-130 r.min ) of the bulk source and receiving phase, were explored. The efficiency of mixed solvents for the transport of metal ions from the source to receiving phase through the fiber supported solid membrane was evaluated. The combined ion exchange solvent extraction (CIESE) was observed effective for the selective transport of thallium, indium and gallium metal ions through fiber supported solid membrane in mixed solvents. The oxonium salt formation in the receiving phase enhances thallium, indium and gallium metal ion transport through solid membrane phase. The selective transport of thallium metal ions from source phase was observed from indium and gallium metal ions in the presence of hydrochloric acid in organic solvents in receiving phase. The separation of thallium metal ions from the binary mixtures of Be(II), Ti(IV), AI(III) Ca(II), Mg(II), K (I), La(III) and Y(III) was carried out in the mixed solvent system using cellulose fiber supported solid membrane.

  16. Polymeric cobalt porphyrin complex film catalytic oxidation of styrene with molecular oxygen%聚卟啉钴配合物膜催化氧化苯乙烯性能研究

    Institute of Scientific and Technical Information of China (English)

    李晓东; 朱元成; 王小芳; 王晓峰

    2013-01-01

    利用聚卟啉金属钴配合物[PCo(Ⅱ)TPP]在一定条件下催化分子氧氧化苯乙烯,氧化产物以苯甲醛(1)和1,2-环氧苯乙烷(2)为主,比较了小分子钴卟啉配合物TPPCo(Ⅱ)和PCo(Ⅱ)TPP,发现PCo(Ⅱ)TPP具有更高的催化活性,考察了影响氧化反应的反应温度、反应时间、溶剂和重复使用性等因素.结果表明,较为理想的反应温度和时间为90℃和9h,非极性的溶剂1,4-二氧六环能提高苯乙烯的转化率和产物选择性,而且催化剂PCo(Ⅱ)-TPP在重复使用5次后催化活性没有明显的下降.%Styrene oxidation using polymeric metalloporphyrin complexes [ PCo ( II) TPP ] catalyst in the presence of molecular oxygen were studied. The benzaldhyde (1) and styrene oxide (2) were obtained as the major products. Compared with the cobalt porphyrin complex TPPCo( E ) and PCo( E )TPP,the PCo( II )TPP has the higher catalytic activity,the effect of reaction temperature,reaction time,solvents and reusability on the oxidation were also investigated. The results showed that the conversion and selectivity to styrene were improved under reaction temperature at 90 ℃ , reaction time at 9 h and unpolar solvent (1,4-dioxane) was added to reaction system. Furthermore, the catalyst PCo( E )TPP could be efficiently reused five times.

  17. Solvent dependence of Stokes shift for organic solute-solvent systems: A comparative study by spectroscopy and reference interaction-site model-self-consistent-field theory.

    Science.gov (United States)

    Nishiyama, Katsura; Watanabe, Yasuhiro; Yoshida, Norio; Hirata, Fumio

    2013-09-01

    The Stokes shift magnitudes for coumarin 153 (C153) in 13 organic solvents with various polarities have been determined by means of steady-state spectroscopy and reference interaction-site model-self-consistent-field (RISM-SCF) theory. RISM-SCF calculations have reproduced experimental results fairly well, including individual solvent characteristics. It is empirically known that in some solvents, larger Stokes shift magnitudes are detected than anticipated on the basis of the solvent relative permittivity, ɛr. In practice, 1,4-dioxane (ɛr = 2.21) provides almost identical Stokes shift magnitudes to that of tetrahydrofuran (THF, ɛr = 7.58), for C153 and other typical organic solutes. In this work, RISM-SCF theory has been used to estimate the energetics of C153-solvent systems involved in the absorption and fluorescence processes. The Stokes shift magnitudes estimated by RISM-SCF theory are ∼5 kJ mol(-1) (400 cm(-1)) less than those determined by spectroscopy; however, the results obtained are still adequate for dipole moment comparisons, in a qualitative sense. We have also calculated the solute-solvent site-site radial distributions by this theory. It is shown that solvation structures with respect to the C-O-C framework, which is common to dioxane and THF, in the near vicinity (∼0.4 nm) of specific solute sites can largely account for their similar Stokes shift magnitudes. In previous works, such solute-solvent short-range interactions have been explained in terms of the higher-order multipole moments of the solvents. Our present study shows that along with the short-range interactions that contribute most significantly to the energetics, long-range electrostatic interactions are also important. Such long-range interactions are effective up to 2 nm from the solute site, as in the case of a typical polar solvent, acetonitrile.

  18. Micellization behaviour and thermodynamic parameters of 12-2-12 gemini surfactant in (water + organic solvent) mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Batigoec, Cigdem [Department of Chemistry, Faculty of Sciences, Trakya University, 22030 Edirne (Turkey); Akbas, Halide, E-mail: hakbas34@yahoo.com [Department of Chemistry, Faculty of Sciences, Trakya University, 22030 Edirne (Turkey); Boz, Mesut [Department of Chemistry, Faculty of Sciences, Trakya University, 22030 Edirne (Turkey)

    2011-09-15

    Highlights: > The cmc and {alpha} values of surfactant increased with increasing solvent content and temperature. > The values of ({Delta}G{sub m}{sup 0}) are negative in all cases for the micelle formation becomes less favourable. > The values of negative enthalpy indicate importance of the London dispersion forces for the micellization. > The positive entropy is due to a contribution supplied from the solvent. - Abstract: The effect of organic solvents on micellization behaviour and thermodynamic parameters of a cationic gemini (dimeric) surfactant, C{sub 12}H{sub 25}(CH{sub 3}){sub 2}N{sup +}-(CH{sub 2}){sub 2}-N{sup +}(CH{sub 3}){sub 2}C{sub 12}H{sub 25}.2Br{sup -}, (12-2-12) was studied in aqueous solutions over the range of T = (293.15 to 323.15) K using the conductometric technique. Ethylene glycol (EG), dimethylsulfoxide (DMSO) and 1,4-dioxan (DO) were used as organic solvents with three different contents. The critical micelle concentration (cmc) and the degree of counter ion dissociation ({alpha}) of micelles in the water and in the (water + organic solvent) mixtures including 10%, 20%, and 30% solvent contents were determined. The standard Gibbs free energy ({Delta}G{sub m}{sup 0}), enthalpy ({Delta}H{sub m}{sup 0}) and entropy ({Delta}S{sub m}{sup 0}) of micellization were estimated from the temperature dependence of the cmc values. It was observed that the critical micelle concentration of the gemini surfactant and the degree of counter ion dissociation of the micelle increased as the volume percentage of organic solvent, and temperature increased. The standard Gibbs free energy of micellization was found to be less negative with the increase in the organic solvent content and temperature.

  19. Study on the decomposition mechanism of alkyl carbonate on lithium metal by pyrolysis-gas chromatography-mass spectroscopy

    Science.gov (United States)

    Mogi, Ryo; Inaba, Minoru; Iriyama, Yasutoshi; Abe, Takeshi; Ogumi, Zempachi

    The surface films formed on deposited lithium in electrolyte solutions based on ethylene carbonate (EC), diethyl carbonate (DEC), and dimethyl carbonate (DMC) were analyzed by pyrolysis-gas chromatography-mass spectroscopy (Py-GC-MS). In 1 M LiClO 4/EC, the main component of the surface film was easily hydrolyzed to give ethylene glycol after exposure to air, and hence was considered to have a chemical structure of ROCH 2CH 2OR', of which OR and OR' are OLi or OCO 2Li. Ethylene oxide, acetaldehyde, and 1,4-dioxane were detected in decomposition products, and they were considered to have been formed by pyrolysis of ROCH 2CH 2OR' in the pyrolyzer. The presence of ethanol in decomposition products confirmed that ring cleavage at the CH 2O bonds of EC occurs by one electron reduction. In addition, the presence of methanol implied the cleavage of the CC bond of EC upon reduction. From the surface films formed in 1 M LiClO 4/DEC and /DMC, ethanol and methanol, respectively, were detected, which suggested that corresponding lithium alkoxides and/or lithium alkyl carbonates were the main components. In 1 M LiClO 4/EC+DEC (1:1), EC dominantly decomposed to form the surface film. The surface film formed in 1 M LiPF 6/EC+DEC (1:1) contained a much smaller amount of organic compounds.

  20. Protective Effect of Nigella Sativa Black Seed Oil And Freshly Crushed Seeds In Rats During Tumour Induction And Radiotherapy

    International Nuclear Information System (INIS)

    The present study was conducted to evaluate the potency of Nigella sativa freshly crushed seeds (0.42 g/ kg body weight) or oil (2.5 ml/kg body weight) for preventing tumor induction through exposure of rats to a common pollutant (1,4- Dioxane) as a promoter under condition of the presence of an initiator (N-nitrosodiethylamine). The antitumor effect was evaluated alone or in combination with low doses of irradiation as a route of cancer treatment. Female Swiss albino rats were administrated orally twice weekly with Nigella sativa before and during exposure of rats to the carcinogenic compounds. Animals were exposed to 3 doses of radiation (3 Gy/ dose) day after day 2 weeks before the end of the experiment. The animals were scarified after one week of radiation. Homocysteine,'glutathione, lipid peroxide, GGT activity, nitric oxide, total protein, albumin and bilirubin levels were estimated in blood after 7 and 12 months from the start of the experiment. Rats injected with the carcinogenic compounds showed marked elevation in homocysteine, GGT activity, nitric oxide, bilirubin and lipid peroxide levels accompanied by a significant decrease in glutathione, total proteins and albumin levels. Pretreatment with Nigella sativa alone or combined with γ- irradiation potentially reversed the investigated parameters. Moreover, Nigella sativa significantly suppressed the growth of the tumor and efficiently produced synergistic effect with γ-irradiation. Therefore, Nigella sativa may be a good candidate to prevent tumor induction and so, it is advicable to use freshly crushed seeds during irradiation treatment in cancer patients as they gave more effective protection than the oil extract.

  1. Final report on the safety assessment of PEG-25 propylene glycol stearate, PEG-75 propylene glycol stearate, PEG-120 propylene glycol stearate, PEG-10 propylene glycol, PEG-8 propylene glycol cocoate, and PEG-55 propylene glycol oleate.

    Science.gov (United States)

    Johnson, W

    2001-01-01

    The ingredients considered in this safety assessment are polyethylene glycol ethers of either propylene glycol itself, propylene glycol stearate, propylene glycol oleate, or propylene glycol cocoate. They function in cosmetic formulations as surfactant--cleansing agents; surfactant-solubilizing agents; surfactant--emulsifying agents; skin conditioning agents--humectant; skin-conditioning agents--emollient; and solvents. Those in current use are used in only a small number of cosmetic formulations. Some are not currently used. Polyethylene Glycol (PEG) Propylene Glycol Cocoates and PEG Propylene Glycol Oleates are produced by the esterification of polyoxyalkyl alcohols with lauric acid and oleic acid, respectively. Although there is no information available on the method of manufacture of the other polymers, information was available describing impurities, including ethylene oxide (maximum 1 ppm), 1,4-dioxane (maximum 5 ppm), polycyclic aromatic compounds (maximum 1 ppm), and heavy metals-lead, iron, cobalt, nickel, cadmium, and arsenic included (maximum 10 ppm combined). In an acute oral toxicity study, PEG-25 Propylene Glycol Stearate was not toxic. An antiperspirant product containing 2.0% PEG-25 Propylene Glycol Stearate was nonirritating to mildly irritating to the eyes of rabbits. This product was also practically nonirritating to the skin of rabbits in single-insult occlusive patch tests. In a guinea pig sensitization test, PEG-25 Propylene Glycol Stearate was classified as nonallergenic at challenge concentrations of 25% and 50% in petrolatum. PEG-25 Propylene Glycol Stearate and PEG-55 Propylene Glycol Oleate were negative in clinical patch tests. Based on the available data, it was concluded that these ingredients are safe as used (concentrations no greater than 10%) in cosmetic formulations. Based on evidence of sensitization and nephrotoxicity in burn patients treated with a PEG-based antimicrobial preparation, the ingredients included in this review

  2. Millimeter wave and terahertz dielectric properties of biological materials

    Science.gov (United States)

    Khan, Usman Ansar

    Broadband dielectric properties of materials can be employed to identify, detect, and characterize materials through their unique spectral signatures. In this study, millimeter wave, submillimeter wave, and terahertz dielectric properties of biological substances inclusive of liquids, solids, and powders were obtained using Dispersive Fourier Transform Spectroscopy (DFTS). Two broadband polarizing interferometers were constructed to test materials from 60 GHz to 1.2 THz. This is an extremely difficult portion of the frequency spectrum to obtain a material's dielectric properties since neither optical nor microwave-based techniques provide accurate data. The dielectric characteristics of liquids such as cyclohexane, chlorobenzene, benzene, ethanol, methanol, 1,4 dioxane, and 10% formalin were obtained using the liquid interferometer. Subsequently the solid interferometer was utilized to determine the dielectric properties of human breast tissues, which are fixed and preserved in 10% formalin. This joint collaboration with the Tufts New England Medical Center demonstrated a significant difference between the dielectric response of tumorous and non-tumorous breast tissues across the spectrum. Powders such as anthrax, flour, talc, corn starch, dry milk, and baking soda have been involved in a number of security threats and false alarms around the globe in the last decade. To be able to differentiate hoax attacks and serious security threats, the dielectric properties of common household powders were also examined using the solid interferometer to identify the powders' unique resonance peaks. A new sample preparation kit was designed to test the powder specimens. It was anticipated that millimeter wave and terahertz dielectric characterization will enable one to clearly distinguish one powder from the other; however most of the powders had relatively close dielectric responses and only Talc had a resonance signature recorded at 1.135 THz. Furthermore, due to

  3. Comparison of UVC/S2O8(2-) with UVC/H2O2 in terms of efficiency and cost for the removal of micropollutants from groundwater.

    Science.gov (United States)

    Antoniou, Maria G; Andersen, Henrik R

    2015-01-01

    This study compared the UVC/S2O8(2-) system with the more commonly used AOP in water industry, UVC/H2O2, and examined whether the first one can be an economically feasible alternative technology. Atrazine and 4 volatile compounds (methyl tert-butyl ether, cis-dichlorethen, 1,4-dioxane and 1,1,1-trichloroethane) were chosen as model contaminants because they exhibit different susceptibility to UVC photolysis and AOPs. A collimated beam apparatus was utilized for the majority of the experiments (controlled environment, without mass transfer phenomena), while selected experiments were performed in a flow-through reactor to simulate industrial applications. Initial experiments on the activation of oxidants with a LP lamp indicated that S2O8(2-) is photolysed about 2.3 times faster than H2O2 and that the applied treatment times were not sufficient to utilize the majority of the oxidant. The effect of oxidants' concentrations were tested with atrazine alone and in the micropollutants' mixture and it was decided to use 11.8 mg L(-1) S2O8(2-) and 14.9 mg L(-1) H2O2 for further testing since is closer to industrial applications and to minimize the residual oxidant concentration. Changes of the matrix composition of the treated water were investigated with the addition of chloride, bicarbonate and humic acids at concentrations relevant to a well-water-sample, the results showed that the system least affected was UVC/H2O2. Only when bicarbonate was used, UVC/S2O8(2-) performed better. Overall, testing these systems with the mixture of micropollutants gave better insights to their efficiency than atrazine alone and UVC/S2O8(2-) is recommended for selective oxidation of challenging matrices. PMID:24745559

  4. Covalent immobilization of glucose oxidase within organic media%葡萄糖氧化酶的有机相共价固定化

    Institute of Scientific and Technical Information of China (English)

    周涛; 朱雄军; 苏建华; 姚冬生; 刘大岭

    2012-01-01

    将葡萄糖氧化酶(GOD)在最适pH条件下冻干后,以戊二醛活化的壳聚糖为载体,分别在传统水相和1,4-二氧六环、乙醚、乙醇三种不同的有机相中进行共价固定化.通过比较水相固定化酶和有机相固定化酶的酶比活力、酶学性质及酶动力学参数,考察酶在有机相中的刚性特质对酶在共价固定化过程中保持酶活力的影响.结果表明,戊二醛浓度为0.1%、加酶量为80 mg/1 g载体、含水1.6%的1,4-二氧六环有机相固定化GOD与水相共价固定化GOD相比,酶比活力提高2.9倍,有效酶活回收率提高3倍;在连续使用7次后,1,4-二氧六环有机相固定化GOD的酶活力仍为相应水相固定化酶的3倍.在酶动力学参数方面,不论是表观米氏常数,最大反应速度还是转换数,1,4-二氧六环有机相固定化的GOD (Km app=5.63 mmol/L,Vmax=1.70 μmol/(min·mg GOD),Kcat=0.304 s-1)都优于水相共价固定化GOD (Km app=7.33 mmol/L,V max=1.02 μmol/(min·mg GOD),Kcat=0.221 s-1).因此,相比于传统水相,GOD在合适的有机相中进行共价固定化可以获得具有更高酶活力和更优催化性质的固定化酶.该发现可能为酶蛋白在共价固定化时因构象改变而丢失生物活性的问题提供解决途径.%Activity losing during the covalent immobilization of enzyme is a serious problem. Here we studied organic phase immobilization by using glucose oxidase (GOD) as a model. After lyophilized at optimum pH, GOD is covalently immobilized onto glutaraldhy de-activated chitosan microsphere carrier under the condition of water, 1, 4-dioxane, ether and ethanol separately. The special activities, enzyme characterization and kinetic parameters are determined. Results show that all of the organic phase immobilized GODs have higher special activities and larger Kcat than that of aqueous phase. Under the conditions of 0.1% of glutaraldehyde,1.6% moisture content with 80 mg of GOD added to per gram of carrier, 2

  5. Dysprosium(III) complexes with a square-antiprism configuration featuring mononuclear single-molecule magnetic behaviours based on different β-diketonate ligands and auxiliary ligands.

    Science.gov (United States)

    Zhang, Sheng; Ke, Hongshan; Shi, Quan; Zhang, Jangwei; Yang, Qi; Wei, Qing; Xie, Gang; Wang, Wenyuan; Yang, Desuo; Chen, Sanping

    2016-03-28

    Three mononuclear dysprosium(III) complexes derived from three β-diketonate ligands, 4,4,4-trifluoro-1-(4-methylphenyl)-1,3-butanedione (tfmb), 4,4,4-trifluoro-1-(4-fluorophenyl)-1,3-butanedione (tffb) and 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione (tfnb) as well as auxiliary ligands, 5-nitro-1,10-phenanthroline (5-NO2-Phen), DMF and 2,2'-bipyridine (bpy) have been synthesized and structurally characterized, namely [Dy(5-NO2-Phen)(tfmb)3] (1), [Dy(DMF)2(tffb)3] (2) and [Dy(bpy)2(tfnb)3]·0.5(1,4-dioxane) (3). The metal ions in 1-3 adopt an approximately square-antiprismatic (SAP) coordination environment with D4d axial symmetry. The magnetic properties of 1-3 have been investigated, displaying weak out-of-phase AC signals under a zero-DC field. With an applied DC field of 1200 Oe, the quantum tunnelling of the magnetization was suppressed in 1-3 with the pre-exponential factor τ0 = 5.3 × 10(-7) s and the effective barrier ΔE/kB = 83 K for 1 as well as the pre-exponential factor τ0 = 3.09 × 10(-7) s and the effective barrier ΔE/kB = 39 K for 3. Interestingly, for the frequency dependence of the out-of-phase (χ'') of the AC susceptibility of 2, two slow relaxation of the magnetization processes occurred under the applied magnetic field of 1200 Oe, corresponding to the fast relaxation (FR) phase and slow relaxation (SR) phase, respectively. Arrhenius analysis gave the effective energy barrier (ΔE/kB) of 55 K and the pre-exponential factor (τ0) of 8.23 × 10(-12) for the SR. It is thus very likely that the FR process in complex 2 results from QTM enhanced by dipolar interactions between the Dy ions or the presence of the applied field. The structure-property relationship of some Dy(III) based mononuclear SMMs with the SAP configuration was further discussed.

  6. Theoretical study of the reaction kinetics of atomic bromine with tetrahydropyran

    KAUST Repository

    Giri, Binod

    2015-02-12

    A detailed theoretical analysis of the reaction of atomic bromine with tetrahydropyran (THP, C5H10O) was performed using several ab initio methods and statistical rate theory calculations. Initial geometries of all species involved in the potential energy surface of the title reaction were obtained at the B3LYP/cc-pVTZ level of theory. These molecular geometries were reoptimized using three different meta-generalized gradient approximation (meta-GGA) functionals. Single-point energies of the stationary points were obtained by employing the coupled-cluster with single and double excitations (CCSD) and fourth-order Møller-Plesset (MP4 SDQ) levels of theory. The computed CCSD and MP4(SDQ) energies for optimized structures at various DFT functionals were found to be consistent within 2 kJ mol-1. For a more accurate energetic description, single-point calculations at the CCSD(T)/CBS level of theory were performed for the minimum structures and transition states optimized at the B3LYP/cc-pVTZ level of theory. Similar to other ether + Br reactions, it was found that the tetrahydropyran + Br reaction proceeds in an overall endothermic addition-elimination mechanism via a number of intermediates. However, the reactivity of various ethers with atomic bromine was found to vary substantially. In contrast with the 1,4-dioxane + Br reaction, the chair form of the addition complex (c-C5H10O-Br) for THP + Br does not need to undergo ring inversion to form a boat conformer (b-C4H8O2-Br) before the intramolecular H-shift can occur to eventually release HBr. Instead, a direct, yet more favorable route was mapped out on the potential energy surface of the THP + Br reaction. The rate coefficients for all relevant steps involved in the reaction mechanism were computed using the energetics of coupled cluster calculations. On the basis of the results of the CCSD(T)/CBS//B3LYP/cc-pVTZ level of theory, the calculated overall rate coefficients can be expressed as kov.,calc.(T) = 4.60 × 10

  7. Cefazolin-containing poly(ε-caprolactone sponge pad to reduce pin tract infection rate in rabbits

    Directory of Open Access Journals (Sweden)

    Hirotaka Mutsuzaki

    2014-04-01

    Full Text Available In our previous study, a fibroblast growth factor-2 (FGF-2–apatite composite layer coated on titanium screws effectively prevented pin tract infection in rabbits because of enhanced wound healing; however, the FGF-2–apatite composite layers did not completely prevent pin tract infection. Thus, we recently developed a poly(ε-caprolactone (PCL sponge pad embedded with cefazolin sodium (+CEZ, which has a fast-acting bactericidal effect. The pad is placed on the skin around the screws. The purpose of this study was to determine the anti-infective efficacy of the +CEZ pad on the pin–skin interface of the FGF-2–apatite-coated titanium screws. The +CEZ pads were prepared by mixing PCL and CEZ in 1,4-dioxane, followed by freeze-drying and compaction. They were analyzed regarding their surface structure, in vitro CEZ release profile, and bactericidal activity. The FGF-2–apatite-coated screws were implanted percutaneously in bilateral rabbit proximal tibial metaphyses—with and without the +CEZ pad—for 4 weeks (n = 20. The + CEZ pads consisted of a porous matrix of PCL in which CEZ was embedded. The CEZ-release profile showed an initial burst on Day 1 and a sustained release lasting for 30 days. The +CEZ pad retained its bactericidal activity against Staphylococcus aureus after preincubation on an agar plate for 7 days. Based on visual inspection, the pin tract infection rate was successfully reduced from 72.2% to 15.0% with the +CEZ pad (p < 0.05, which reduced the bacterial count, especially S. aureus (p < 0.05. The histological inflammation rate of the soft tissues was also significantly lower with the +CEZ pad than without it (p < 0.05. The pin tract infection rate was reduced to one-fifth with the +CEZ pad. Using it as described improves infection resistance during percutaneous implantation.

  8. Acid-base formalism in dispersion-stabilized S-H···Y (Y═O, S) hydrogen-bonding interactions.

    Science.gov (United States)

    Bhattacherjee, Aditi; Matsuda, Yoshiyuki; Fujii, Asuka; Wategaonkar, Sanjay

    2015-02-19

    The role of sulfhydryl (S-H) group as hydrogen bond donor is not as well studied as that of hydroxyl (O-H). In this work we report on the hydrogen-bonding properties of S-H donor in 1:1 complexes of H2S with diethyl ether (Et2O), dibutyl ether (Bu2O), and 1,4-dioxane (DO). The complexes were prepared in supersonic jet and investigated using infrared predissociation spectroscopy based on VUV photoionization detection. The IR spectra of all the complexes showed the presence of a broad, intensity-enhanced, and red-shifted hydrogen-bonded S-H stretching transition. The S-H stretching frequency was red-shifted by 46, 63, and 49 cm(-1) in H2S-Et2O, H2S-Bu2O, and H2S-DO complexes, respectively, suggesting that all the complexes are S-H···O bound. Computationally, two different S-H···O bound structures, namely, "coplanar" and "perpendicular", were obtained as the minimum energy structures for these complexes at the MP2/6-311++G** level, with the former being the global minimum. However, with Dunning-type basis sets (aug-cc-pVDZ and aug-cc-pVTZ) only the perpendicular structures were found to be stable at the MP2 level. The large widths of the bound S-H stretch observed in the experimental spectra (fwhm of 35 to 80 cm(-1)) were attributed to inhomogeneous broadening due to multiple conformations of the alkyl chains in the coplanar and perpendicular structures populated in the jet. The frequency shifts in the hydrogen-bonded S-H stretching mode as well as the bond dissociation energies of all S-H···Y (Y═O,S) complexes of H2S, which includes the H2S dimer and H2S-methanol (H2S-MeOH) complexes reported in our previous work (ChemPhysChem 2013, 14, 905-914), were found to scale linearly with the proton affinity of the acceptor molecule. In this regard the S-H group, like O-H, is found to conform to the widely accepted acid-base nature of hydrogen-bonding interactions.

  9. 四正丁基溴化铵催化的氮杂环丙烷与水合羧酸铜的开环反应%Efficient ring-opening reactions of N-tosylaziridines with hydrous cupric carboxylate mediated by tetra-n-butyl ammonium bromide

    Institute of Scientific and Technical Information of China (English)

    张万轩; 周洁; 黄巍; 苏莉; 汤从国

    2012-01-01

    β-amino alcohol esters could be obtained from the reactions of aziridines with hydrated cupric acetate which were catalysed by tetran-butyl ammonium bromide. Firstly, condition was optimized, such as using different hydration carboxylic acid salts, solvents, reaction temperatures, catalyst of quaternary ammonium salts and the ratios of reaction raw materials to the reaction. 1, 4-dioxane was the best solvent and the preferential molar ratio of aziridine, hydrated cupric acetate and tetrabutyl ammonium bromide was 1 : 0. 6:0. 2. Finally, we expanded the substrate of aziridine and hydrated cupric carboxylates for an excellent yields ( 85%—99%) in a short time. The regioselectivities were 83%—95% for the major products. In the case of cycloalkyl aziridines, the stereochemistry of the ring product was found to be trans-form. Alkyl N-tosyl aziridines and aryl N-tosyl aziridines both mainly underwent cleavage at the terminal carbon atom. A new convenient method for the preparation of β-amino alcohol esters was developed and the role of cation Cu2+ was discussed.%氮杂环丙烷与水合羧酸铜在溴化四丁基铵的催化下可以合成β-胺基醇酯,首先通过条件优化,分别对不同水合羧酸盐、溶剂、反应温度、季铵盐催化剂、反应物料配比对该反应的影响进行研究,得到最优条件:溶剂为1,4-二氧六环,反应条件为回流,氮杂环丙烷、一水乙酸铜、四正丁基溴化铵的摩尔比为1∶0.6∶0.2.然后在此条件下拓展不同反应底物,反应时间短,产物的产率高(85%~99%),产物的区域选择性也高(83%~95%).这种方法对于N-Ts活化的环状氮杂环丙烷,开环产物的立体结构为反式;对芳基和烷基取代的N-Ts活化的氮杂环丙烷,主要开环产物为端位开环产物.对反应条件和Cu2+的作用进行了讨论.

  10. A simple spectrophotometric method for the determination of copper in some real, environmental, biological, food and soil samples using salicylaldehyde benzoyl hydrazone

    International Nuclear Information System (INIS)

    A very simple, ultra-sensitive, highly selective and non-extractive spectrophotometric method for the determination of trace amounts copper (II) has been developed. Salicylaldehyde debenzoyl hydrazone (SAL-BH) has been proposed as a new analytical reagent for the direct non-extractive spectrophotometric determination of copper (II). SAL-BH reacts with copper in a slightly acidic (0.0001-0.005 M H/sub 2/SO/sub 4/) in 40% 1,4-dioxane media with copper(lI) to give a highly absorbent greenish yellow chelate with a molar ratio 1:1(CuII: SAL-BH) The reaction is instantaneous and the maximum absorption was obtained at 404 nffi and remains stable for 72 h. The average molar absorptivity and Sandell's sensitivity were found to be 1.4x105 L mol-I cm/sup -1/ and 5.0 ng cm-2 of copper (II), respectively. Linear calibration graphs were obtained for 0.01 -18 mg L-1 of C/sup 11/. The detection limit and quantification limit of the reaction system were found to be 1 ng mL/sup -1/ and 10 micro.g L/sup -1/, respectively. A large excess of over 50 cations, anions and complexing agents (e.g., tartrate, oxalate, citrate, phosphate, thiocyanate etc.) do not interfere in the determination. The method is highly selective for copper and was successfully used for the determination of copper in several standard reference materials (steels and alloys) as well as in some environmental waters (portable and polluted), biological (human blood and urine), food and soil samples and solutions containing both copper (I) and copper( II) as well as some complex synthetic mixtures. The results of the proposed method for biological and food samples were comparable with AAS and were found to be in good agreement. The method has high precision and accuracy (s = t 0.01 for 0.5 mgL/sup -1/). (author)

  11. Safety assessment on polyethylene glycols (PEGs) and their derivatives as used in cosmetic products

    International Nuclear Information System (INIS)

    , however, considered safe as they are not expected to be systemically available. As all PEGs and PEG derivatives, they must not be applied to damaged skin. Manufacturers of PEGs and PEG derivatives must continue their efforts to remove impurities and by-products such as ethylene oxide and 1,4-dioxane. Overall, it is concluded, that the PEGs covered in this review are safe for use in cosmetics under the present conditions of intended use

  12. Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues.

    Science.gov (United States)

    Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael

    2016-05-01

    In order to examine the preferred hydrogen-bonding pattern of various uracil derivatives, namely 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil, and for a conformational study, crystallization experiments yielded eight different structures: 5-(hydroxymethyl)uracil, C5H6N2O3, (I), 5-carboxyuracil-N,N-dimethylformamide (1/1), C5H4N2O4·C3H7NO, (II), 5-carboxyuracil-dimethyl sulfoxide (1/1), C5H4N2O4·C2H6OS, (III), 5-carboxyuracil-N,N-dimethylacetamide (1/1), C5H4N2O4·C4H9NO, (IV), 5-carboxy-2-thiouracil-N,N-dimethylformamide (1/1), C5H4N2O3S·C3H7NO, (V), 5-carboxy-2-thiouracil-dimethyl sulfoxide (1/1), C5H4N2O3S·C2H6OS, (VI), 5-carboxy-2-thiouracil-1,4-dioxane (2/3), 2C5H4N2O3S·3C6H12O3, (VII), and 5-carboxy-2-thiouracil, C10H8N4O6S2, (VIII). While the six solvated structures, i.e. (II)-(VII), contain intramolecular S(6) O-H...O hydrogen-bond motifs between the carboxy and carbonyl groups, the usually favoured R2(2)(8) pattern between two carboxy groups is formed in the solvent-free structure, i.e. (VIII). Further R2(2)(8) hydrogen-bond motifs involving either two N-H...O or two N-H...S hydrogen bonds were observed in three crystal structures, namely (I), (IV) and (VIII). In all eight structures, the residue at the ring 5-position shows a coplanar arrangement with respect to the pyrimidine ring which is in agreement with a search of the Cambridge Structural Database for six-membered cyclic compounds containing a carboxy group. The search confirmed that coplanarity between the carboxy group and the cyclic residue is strongly favoured. PMID:27146565

  13. 超声辅助或无溶剂Claisen-Schmidt反应合成含胡椒环的吲哚查尔酮%A facile synthesis of 1,3-benzodioxole-bearing indole-based chalcone via ultrasound-assisted or solvent-free Claisen-Schmidt condensation reaction

    Institute of Scientific and Technical Information of China (English)

    李阳

    2014-01-01

    A structurally novel 1,3-benzodioxole-bearing indole-based chalcone,namely(E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(2-chloro-1-(4-chlorobenzyl)-1H-indol-3-yl) prop-2-en-1-one(3) was synthesized,involving the ultrasound-assisted or solvent-free Claisen-Schmidt condensation reaction of 3-acetyl-2-chloro-1-(4-chlorobenzyl) indole and piperonaldehyde. The ultrasound-assisted Claisen-Schmidt condensation reaction was carried out using 1,4-dioxane as solvent and KOH as catalyst at room temperature to give the product 3 in 78%yield. Alternatively,the reaction could also be conducted under solvent-free condition by physical grinding in a mortar and pestle to obtain 3 in comparable yield of 75%. The two procedures offered easy access to 1,3-benzodioxole-bearing indole-based chalcone in short reaction time and good yield under mild conditions.%3-乙酰基-2-氯-1-(4-氯苄基)吲哚与胡椒醛通过超声辅助或无溶剂的Claisen-Schmidt缩合反应首次合成含胡椒环的吲哚查尔酮,即(E)-3-(5-胡椒基)-1-(2-氯-1-(4-氯苄基)-1H-3-吲哚查尔酮(3)。超声辅助的合成方法使用5%KOH作为催化剂,1,4-二氧六环作为溶剂,以78%的收率得到产品3。另外,这一 Claisen-Schmidt反应也可以在无溶剂研磨条件下进行,同样也以类似的收率获得产品3(75%)。这两种方法具有操作简便、反应条件温和、收率高等优点。

  14. Forest Irrigation Of Tritiated Water: A Proven Tritiated Water Management Tool

    Energy Technology Data Exchange (ETDEWEB)

    Vangelas, Karen; Blount, Gerald; Kmetz, Thomas; Prater, Phil

    2012-11-08

    Tritium releases from the Old Radioactive Waste Burial Ground (ORWBG) at the SRS in South Carolina has impacted groundwater and surface water. Tritiated groundwater plumes discharge into Fourmile Branch which is a small tributary of the Savannah River, a regional water resource. Taking advantage of the groundwater flow paths and the local topography a water collection and irrigation system was constructed and has been used at the SRS for over a decade to reduce these tritiated water releases to Fourmile Branch. The tritiated water is transferred to the atmosphere by evaporation from the pond surface, and after irrigation, wetted surface evaporation and evapotranspiration through the forest vegetation. Over the last decade SRS has irrigated over 120,000,000 gallons of tritiated water, which diverted over 6000 curies away from Fourmile Branch and the Savannah River. The system has been effective in reducing the flux of tritiated groundwater by approximately 70%. Mass balance studies of tritium in the forest soils before operations and over the last decade indicate that approximately 90% of the tritiated water that is irrigated is transferred to the atmosphere. Dose studies indicate that exposure to site workers and offsite maximally exposed individual is very low, approximately 6 mrem/year and 0.004 mrem/year, respectively. To consistently meet the flux reduction goal of tritium into Fourmile Branch optimization activities are proposed. These efforts will increase irrigation capacity and area. An additional 17 acres are proposed for an expansion of the area to be irrigated and a planting of approximately 40 acres of pine forest plantations is underway to expand irrigation capacity. Co-mingled with the tritiated groundwater are low concentrations of chlorinated volatile organic compounds (cVOCs), and 1,4-dioxane. Research studies and SRS field data indicate the forest irrigation system may have an added benefit of reducing the mass of these co-contaminants via

  15. Status of groundwater quality in the Coastal Los Angeles Basin, 2006-California GAMA Priority Basin Project

    Science.gov (United States)

    Goldrath, Dara; Fram, Miranda S.; Land, Michael; Belitz, Kenneth

    2012-01-01

    -concentration greater than (>) 1.0 indicates a concentration greater than a benchmark, and a relative-concentration less than or equal to (≤) 1.0 indicates a concentration equal to or less than a benchmark. Relative-concentrations of organic and special-interest constituents [perchlorate, N-nitrosodimethylamine (NDMA), 1,2,3-trichloropropane (1,2,3-TCP), and 1,4-dioxane] were classified as "high" (relative-concentration>1.0), "moderate" (0.5status assessment for evaluating regional-scale groundwater quality. High aquifer-scale proportion is defined as the percentage of the area of the primary aquifer system with a relative-concentration greater than 1.0 for a particular constituent or class of constituents; percentage is based on an areal rather than a volumetric basis. Moderate and low aquifer-scale proportions were defined as the percentage of the primary aquifer system with moderate and low relative-concentrations, respectively. Two statistical approaches-grid-based and spatially weighted-were used to evaluate aquifer-scale proportions for individual constituents and classes of constituents. Grid-based and spatially weighted estimates were comparable in the CLAB study unit (within 90-percent confidence intervals). Inorganic constituents with human-health benchmarks were detected at high relative-concentrations in 5.6 percent of the primary aquifer system and moderate in 26 percent. High aquifer-scale proportion of inorganic constituents primarily reflected high aquifer-scale proportions of arsenic (1.9 percent), nitrate (1.9 percent), and uranium (1.2 percent). Inorganic constituents with secondary maximum contaminant levels (SMCL) were detected at high relative-concentrations in 18 percent of the primary aquifer system and moderate in 47 percent. The constituents present at high relative-concentrations included total dissolved solids (1.9 percent), manganese (15 percent), and iron (9.4 percent). Relative-concentrations of organic constituents (one or more) were high in 3

  16. Analysis of solvent residues in raw material drug of glimepiride by head-space sampling-capillary gas chromatography%顶空采样-毛细管气相色谱法分析格列美脲原料药中的溶剂残留

    Institute of Scientific and Technical Information of China (English)

    祝波; 赵鲁青; 陈安珍; 华玉琴; 栾成章

    2009-01-01

    An analytical method for the solvent residues in the raw material drug of glimepiride has been established by head-space sampling capillary gas chromatography. General evaluation was made for the distribution of organic residual solvents in glimepiride samples from 8 differ-ent domestic manufacturers. Based on the evaluation-test results and the information provided by manufacturers, 14 target solvents were ascertained including acetone, ethyl acetate, metha-nol, isopropanol, ethanol, chloroform, toluene, 1,4-dioxane, pyridine, chlorobenzene, ether, dichloromethane, n-hexane and benzene. The target solvents were divided into two groups for baseline separation according to their column-retention specificity. Acetone, ethyl acetate, methanol, isopropanol, ethanol, chloroform, toluene, 1,4-dioxane, pyridine and chloroben-zene were separated on a Supelco-Wax capillary column with acetonitrile as internal standard, while ether, dichloromethane, n-hexane and benzene were determined on a Supelco OVI-G43 capillary column with butanone as internal standard. Linear responses were obtained for the 14 residual solvents in their respective concentration ranges (r = 0. 991 67 - 0. 999 97 , n = 8), and the limits of detection were 0. 2-13. 5 μg/g. The inter-day reproducibilities, measured as rela-tive standard deviations (RSDs), were 0. 6%-9. 2% (n = 3). The average recoveries of three concentration levels were 86. 3%-104. 1% with the RSD of 0. 2% -5. 3% (N = 16). The devel-oped method is simple, sensitive, and accurate for the residual solvent analysis in glimepiride samples.%建立了顶空采样-毛细管气相色谱检测格列美脲原料药中溶剂残留的分析方法.对产自国内8个生产厂家的格列美脲样品中有机溶剂的残留状况进行了系统评价,结合药品生产工艺信息,确定了丙酮、乙酸乙酯、甲醇、异丙醇、乙醇、氯仿、甲苯、1,4-二氧六环、吡啶、氯苯、乙醚、二氯甲烷、正己烷和苯等14种有机

  17. A new protocol for the in situ generation of aromatic, heteroaromatic, and unsaturated diazo compounds and its application in catalytic and asymmetric epoxidation of carbonyl compounds. Extensive studies to map out scope and limitations, and rationalization of diastereo- and enantioselectivities.

    Science.gov (United States)

    Aggarwal, Varinder K; Alonso, Emma; Bae, Imhyuck; Hynd, George; Lydon, Kevin M; Palmer, Matthew J; Patel, Mamta; Porcelloni, Marina; Richardson, Jeffery; Stenson, Rachel A; Studley, John R; Vasse, Jean-Luc; Winn, Caroline L

    2003-09-10

    enantioselectivity was small, the efficiency of diazo compound generation was influenced, and CH(3)CN and 1,4-dioxane emerged as the optimum solvents. A general rationalization of the factors that influence both relative and absolute stereochemistry for all of the different substrates is provided. Reversibility in formation of the betaine intermediate is an important issue in the control of diastereoselectivity. Hence, where low diastereocontrol was observed, the results have been rationalized in terms of the factors that contribute to the reduced reversion of the syn betaine back to the original starting materials. The enantioselectivity is governed by ylide conformation, facial selectivity in the ylide reaction, and, again, the degree of reversibility in betaine formation. From experimental evidence and calculations, it has been shown that sulfide 7 gives almost complete control of facial selectivity, and, hence, it is the ylide conformation and degree of reversibility that are responsible for the enantioselectivity observed. A simple test has been developed to ascertain whether the reduced enantioselectivity observed in particular cases is due to poor control in ylide conformation or due to partial reversibility in the formation of the betaine.

  18. Effects of polyurethane on rheology performance of poly(lactic-acid) solution%聚氨酯对聚乳酸溶液流变性能的影响

    Institute of Scientific and Technical Information of China (English)

    左丹英; 易长海; 甘厚磊; 陈玉波

    2012-01-01

    The rheological behaviors of blend solutions of 1,4-dioxane/poly( L-lactic-acid)/polyurethane( DO/PLLA/PU) were investigated through the Senior rotary rheometer, and the effects of PU addition on flow curves, non-Newtonian index and apparent viscosity flow activation energy of blend solutions were discussed. It was found that blended solutions were the shear thinning non-Newtonian fluids in this experiment. PU additions made the viscosities of blend solutions increase, and the higher PU content was, the larger the blend solution viscosity was, which indicated that an increment in PU content led to the dependence enhancement on shear rate. Non-Newtonian indexes of the blend solutions showed that the non-Newtonian index showed a downward trend with the increase of PU content, and as the temperature rise, the non Newtonian index of the blended solutions with the same composition also showed a downward trend,which revealed that the dependence of the viscosity of the blended solutions on shear rate was still very strong with PU content increasing as well as the temperature rising. But, the research results of the viscous flow activation energy showed that PU made the sensitivity to temperature of blend solution drop in the high shear rate. The study on the rheological properties of PLLA/PU blend solutions suggested that it was not proper to adjust the temperature in order to improve the rheological performance of blend solution during spinning processing.%采用高级旋转流变仪研究了1,4-二氧六环/左旋聚乳酸/聚氨酯(DO/PLLA/PU)共混溶液的流变性能,探讨了PU的加入对共混溶液的流动曲线、非牛顿指数及表观粘流活化能的影响.结果表明,在实验条件下,共混溶液为剪切变稀非牛顿流体,PU含量的增加使得共混溶液的表观粘度增大;共混溶液的非牛顿指数的研究表明,随着PU含量的增加,非牛顿指数呈现下降趋势,随着温度的升高,同一组成的共混溶液非牛顿指数

  19. One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded ADA/DAD synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine.

    Science.gov (United States)

    Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael

    2016-09-01

    A path to new synthons for application in crystal engineering is the replacement of a strong hydrogen-bond acceptor, like a C=O group, with a weaker acceptor, like a C=S group, in doubly or triply hydrogen-bonded synthons. For instance, if the C=O group at the 2-position of barbituric acid is changed into a C=S group, 2-thiobarbituric acid is obtained. Each of the compounds comprises two ADA hydrogen-bonding sites (D = donor and A = acceptor). We report the results of cocrystallization experiments of barbituric acid and 2-thiobarbituric acid, respectively, with 2,4-diaminopyrimidine, which contains a complementary DAD hydrogen-bonding site and is therefore capable of forming an ADA/DAD synthon with barbituric acid and 2-thiobarbituric acid. In addition, pure 2,4-diaminopyrimidine was crystallized in order to study its preferred hydrogen-bonding motifs. The experiments yielded one ansolvate of 2,4-diaminopyrimidine (pyrimidine-2,4-diamine, DAPY), C4H6N4, (I), three solvates of DAPY, namely 2,4-diaminopyrimidine-1,4-dioxane (2/1), 2C4H6N4·C4H8O2, (II), 2,4-diaminopyrimidine-N,N-dimethylacetamide (1/1), C4H6N4·C4H9NO, (III), and 2,4-diaminopyrimidine-1-methylpyrrolidin-2-one (1/1), C4H6N4·C5H9NO, (IV), one salt of barbituric acid, viz. 2,4-diaminopyrimidinium barbiturate (barbiturate is 2,4,6-trioxopyrimidin-5-ide), C4H7N4(+)·C4H3N2O3(-), (V), and two solvated salts of 2-thiobarbituric acid, viz. 2,4-diaminopyrimidinium 2-thiobarbiturate-N,N-dimethylformamide (1/2) (2-thiobarbiturate is 4,6-dioxo-2-sulfanylidenepyrimidin-5-ide), C4H7N4(+)·C4H3N2O2S(-)·2C3H7NO, (VI), and 2,4-diaminopyrimidinium 2-thiobarbiturate-N,N-dimethylacetamide (1/2), C4H7N4(+)·C4H3N2O2S(-)·2C4H9NO, (VII). The ADA/DAD synthon was succesfully formed in the salt of barbituric acid, i.e. (V), as well as in the salts of 2-thiobarbituric acid, i.e. (VI) and (VII). In the crystal structures of 2,4-diaminopyrimidine, i.e. (I)-(IV), R2(2)(8) N-H...N hydrogen-bond motifs are preferred and, in two

  20. Influence of inorganic acids on the dehydration of fructose to 5-hydroxymethylfurfural over AlCl3 catalyst%无机酸对 AlCl3催化果糖脱水制备5-羟甲基糠醛的影响

    Institute of Scientific and Technical Information of China (English)

    李振斌; 顾运江; 王维; 魏作君; 刘迎新

    2014-01-01

    The dehydration of fructose to 5-hydroxymethylfurfural is the research hotspot of the compre-hensive utilization of biomass resources. Using AlCl3 as the catalyst,the influence of reaction conditions on the dehydration of fructose to 5-hydroxymethylfurfural,especially the addition of different inorganic acids on the catalytic performance of AlCl3 was investigated. Using inorganic acid and AlCl3 as the co-catalyst, the effects of different solvents(1,4-dioxane,N,N-dimethylformamide,2-dimethyl sulfoxide),reaction temperature and the mass ratio of sulphuric acid to phosphoric acid(1: 2、2: 3、3: 2、2: 1)were tested. The results showed that 5-hydroxymethylfurfural yield of 92. 1% was attained under the condition as follows:N,N-dimethylformamide as the solvent,AlCl3 dosage 7. 5 mmol,sulphuric acid concentration 20 mmol·L -1 , phosphoric acid concentration 30 mmol·L - 1 and reaction temperature 120 ℃.%果糖脱水降解为5-羟甲基糠醛是生物质资源综合利用的研究热点。以 AlCl3为催化剂,考察反应条件对果糖脱水制备5-羟甲基糠醛的影响,重点研究不同无机酸对 AlCl3催化果糖降解生成5-羟甲基糠醛反应的影响。以 AlCl3和无机酸为共催化剂,考察在不同溶剂(1,4-二氧六环、N,N -二甲基甲酰胺、2-甲基亚砜)、反应温度和硫酸与磷酸质量比(1:2、2:3、3:2、2:1)条件下对果糖脱水降解制5-羟甲基糠醛的影响。结果表明,以温和的 N,N -二甲基甲酰胺为溶剂,在反应温度120℃、AlCl3用量为7.5 mmol、硫酸为20 mmol·L -1和磷酸为30 mmol·L -1共催化剂条件下,5-羟甲基糠醛收率达92.1%。

  1. Ground-Water Quality Data in the San Fernando-San Gabriel Study Unit, 2005 - Results from the California GAMA Program

    Science.gov (United States)

    Land, Michael; Belitz, Kenneth

    2008-01-01

    Ground-water quality in the approximately 460 square mile San Fernando-San Gabriel study unit (SFSG) was investigated between May and July 2005 as part of the Priority Basin Assessment Project of the Groundwater Ambient Monitoring and Assessment (GAMA) Program. The GAMA Priority Basin Assessment Project was developed in response to the Groundwater Quality Monitoring Act of 2001 and is being conducted by the U.S. Geological Survey (USGS) in cooperation with the California State Water Resources Control Board (SWRCB). The San Fernando-San Gabriel study was designed to provide a spatially unbiased assessment of raw ground-water quality within SFSG, as well as a statistically consistent basis for comparing water quality throughout California. Samples were collected from 52 wells in Los Angeles County. Thirty-five of the wells were selected using a spatially distributed, randomized grid-based method to provide statistical representation of the study area (grid wells), and seventeen wells were selected to aid in the evaluation of specific water-quality issues or changes in water chemistry along a historic ground-water flow path (understanding wells). The ground-water samples were analyzed for a large number of synthetic organic constituents [volatile organic compounds (VOCs), pesticides and pesticide degradates], constituents of special interest [perchlorate, N-nitrosodimethylamine (NDMA), 1,2,3-trichloropropane (1,2,3-TCP), and 1,4-dioxane], naturally occurring inorganic constituents (nutrients, major and minor ions, and trace elements), radioactive constituents, and microbial indicators. Naturally occurring isotopes (tritium, and carbon-14, and stable isotopes of hydrogen, oxygen, and carbon), and dissolved noble gases also were measured to help identify the source and age of the sampled ground water. Quality-control samples (blanks, replicates, samples for matrix spikes) were collected at approximately one-fifth (11 of 52) of the wells, and the results for these

  2. Final report on the safety assessment of octoxynol-1, octoxynol-3, octoxynol-5, octoxynol-6, octoxynol-7, octoxynol-8, octoxynol-9, octoxynol-10, octoxynol-11, octoxynol-12, octoxynol-13, octoxynol-16, octoxynol-20, octoxynol-25, octoxynol-30, octoxynol-33, octoxynol-40, octoxynol-70, octoxynol-9 carboxylic acid, octoxynol-20 carboxylic acid, potassium octoxynol-12 phosphate, sodium octoxynol-2 ethane sulfonate, sodium octoxynol-2 sulfate, sodium octoxynol-6 sulfate, and sodium octoxynol-9 sulfate.

    Science.gov (United States)

    Johnson, Wilbur

    2004-01-01

    Octoxynols are ethoxylated alkylphenols in which the size of the molecule is related to the number of moles of ethylene oxide used in synthesis. Reactions are performed at elevated temperature, under pressure, and in the presence of NaOH. It is possible that the synthesis may leave trace amounts of ethylene oxide, 1,4-dioxane, and unreacted C9 phenols. Octoxynols of various chain lengths as well as octoxynol salts and organic acids function in cosmetics either as surfactants--emulsifying agents, surfactants--cleansing agents, surfactant--solubilizing agents, or surfactants--hydrotropes in a wide variety of cosmetic products at concentrations ranging from 0.0008% to 25%, with most less than 5.0%. The octoxynols are chemically similar to nonoxynols, the safety of which were previously considered. Long-chain nonoxynols (9 and above) were considered safe as used, whereas short-chain nonoxynols (8 and below) were considered safe as used in rinse-off products and safe at concentrations less than 5% in leave-on formulations. Acute exposure of hamsters to Octoxynol-9 by bronchopulmonary lavage produced pneumonia, pulmonary edema, and intra-alveolar hemorrhage. Octoxynol-9 at doses over 1 g/kg was toxic in rats and in mice in acute oral toxicity studies. No significant effects were noted in short-term oral studies of Octoxynol-9 in rats, in subchronic oral studies of Octoxynol-40 in rats and dogs, or in chronic oral studies of Octoxynol-40 in rats. The intraperitoneal LD50 of Octoxynol-9 in rats and mice was around 100 mg/kg. In skin irritation studies, octoxynols ranged from nonirritating to moderately irritating. Octoxynols were not ocular irritants in one rabbit study, but in others there was ocular irritation. No immune system toxicity in CF-1 female mice was noted following the intraperitoneal injection of Octoxynol-9 followed by subcutaneous immunization with sheep red blood cells (SRBCs). Octoxynol-9 produced no humoral and cell-mediated immune responses, or

  3. A Development of Rapid, Practical and Selective Process for Preparation of Z-Oximes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Bo Ram; Sung, Gi Hyeon; Yoon, Yongjin [Gyeongsang National Univ., Jinju (Korea, Republic of); Kim, Jeumjong [Electronic and Telecommunications Research Institute, Daejeon (Korea, Republic of)

    2013-04-15

    Table 1, compound 1a was treated with hydroxylamine hydrochloride in the presence of potassium carbonate in refluxing 1,4-dioxane to afford the corresponding ketoxime 2a in excellent yield. Acetophenone oxime (2a) was also obtained by the use of ethanol or methanol as the solvent at room temperature or at reflux temperature in excellent yields (Entries 9-12 in Table 1), whereas the side reaction was detected for the reaction of 1a with hydroxylamine hydrochloride in the presence of potassium carbonate in refluxing water. According to our preliminary results, we selected the methanol as the solvent due to short reaction time and low price. As shown in Table 2, aliphatic and aromatic ketones except for benzophenone (1f) were rapidly and selectively converted to the corresponding Z-oximes in good yields. Also, various types of aromatic aldehydes 1g. with electron donating and withdrawing groups were rapidly and selectively converted to the corresponding Zaldoximes in good to excellent yields. In our condition, the oximation of aldehydes is more Z-selective than the oximation of ketones. In order to evaluate the utility of industrial process, we examined the one mole scale reaction. Treatment of one mole acetophenone (1a) and benzaldehyde (1g) with hydroxylamine hydrochloride and potassium carbonate in methanol afforded the corresponding oximes 2a (E/Z ratio = 15:85, 92%) and 2g (E/Z ratio = 10:90, 92%). The structures of the oximes were established by IR and NMR. In the case of ketoximes, we distinguished two isomers by using the carbon chemical shifts of C=NOH, that is, the chemical shifts of the Z-isomer are detected higher field than the chemical shifts of the E-isomer. In the case of aldoximes, E/Z-isomers were distinguished by using the proton chemical shifts of HC=N for aldoximes, that is, the proton chemical shifts of the Z-isomer are detected lower field than the chemical shifts of the E-isomer. In summury, we have demonstrated the rapid and convenient oximation of

  4. 羟基磷灰石/胶原/聚乳酸三维多孔储存式药物控释载体的制备及其表征%Preparation and characterization of hydroxyapatite/collagen/poly-L-lactic acid three-dimensional porous reservoir type drug carrier for controlled release

    Institute of Scientific and Technical Information of China (English)

    王振林; 万涛; 闫玉华

    2006-01-01

    羟基磷灰石在胶原基质上生成并以其晶格c轴择优取向排列.②羟基磷灰石/胶原/聚乳酸药物载体具有适合药物控释的孔结构和和物理性能.③模型药物的体外释放试验表明药物在达到85%释放率之前近似为零级缓慢释放.结论:羟基磷灰石/胶原复合材料与天然骨类似,羟基磷灰石/胶原/聚乳酸储存式载体能达到控制释放的目的.%BACKGROUND: In the clinical therapy for orthopedic diseases, the traditional administration easily induces the great fluctuation of drug concentration and side effect, and implanted drug carrier material hydroxyapatite (Hap) cannot be used in human's load bearing parts due to its poor mechanical performances, and poly-L-lactic acid (PLLA) is effortlessly degraded to acid byproducts. Drug carriers made from Hap/PLLA are supposed to not only persist releasing drug onto the lesion and reduce the side effect,but also obtain strength enhancement and eliminate tissue inflammatory reaction in favor of bone regeneration.OBJECTIVE: To observe the preparation of absorbable target control-release drug carrier and simulate the application of drugs.DESIGN: Observation trial.SETTING: Chongqing Institute of Technology and Wuhan University of Technology.MATERIALS: Tails of albino rats and PLLA (offered by Biological Center of Wuhan University of Technology), pepsin (1:10 000, Sigma company), Ca(OH)2, strong phosphoric, NaOH, glacial acetic acid, phosphate buffer (pH=7.4), 1,4-dioxane, absolute alcohol (Analytical reagent available on market).METHODS: The experiment was carried out in Chongqing Institute of Technology and Wuhan University of Technology. ①Type Ⅰ collagen (Col)was prepared by acid dissolution and alkali purification methods. Hap/Col bone-like biomimetic composite was synthesized through self-assembly mechanism of materials simulating in vitro biomineralization process of nature bone. X ray diffraction analysis and transmission electron microscope were applied to observe the