454 research outputs found

    Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections

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    9 págs.; 6 figs.; 1 tab.In this work, we report theoretical and experimental cross sections for elastic scattering of electrons by chlorobenzene (ClB). The theoretical integral and differential cross sections (DCSs) were obtained with the Schwinger multichannel method implemented with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR). The calculations with the SMCPP method were done in the static-exchange (SE) approximation, for energies above 12 eV, and in the static-exchange plus polarization approximation, for energies up to 12 eV. The calculations with the IAM-SCAR method covered energies up to 500 eV. The experimental differential cross sections were obtained in the high resolution electron energy loss spectrometer VG-SEELS 400, in Lisbon, for electron energies from 8.0 eV to 50 eV and angular range from 7 to 110. From the present theoretical integral cross section (ICS) we discuss the low-energy shape-resonances present in chlorobenzene and compare our computed resonance spectra with available electron transmission spectroscopy data present in the literature. Since there is no other work in the literature reporting differential cross sections for this molecule, we compare our theoretical and experimental DCSs with experimental data available for the parent molecule benzene. Published by AIP Publishing.A.S.B., M.T.N.V., S.d’A.S., and M.H.F.B. acknowledge the Brazilian Agency Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES), under CAPES/FCT Programme (Process No. 23038.002465/2014-87). M.T.N.V., S.d’A.S., and M.H.F.B. acknowledge support from the Brazilian Agency Conselho Nacional de Desenvolvimento Científico e Tecnológico. M.H.F.B. acknowledges support from Finep (under project CT-Infra), and M.T.N.V. from São Paulo Research Foundation (FAPESP). A.S.B., S.d’A.S., and M.H.F.B. acknowledge computational support from Professor Carlos M. de Carvalho at LFTC-DFis-UFPR and at LCPADUFPR and from CENAPAD-SP. F.F.S. acknowledges the Portuguese National Funding Agency FCT through researcher Contract No. IF-FCT IF/00380/2014 and together with P.LV. the research Grant No. UID/FIS/00068/2013. F.B. and G.G. acknowledge partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230).Peer Reviewe

    Analysis of norfloxacin ecotoxicity and the relation with its degradation by means of electrochemical oxidation using different anodes

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    [EN] In this work, ecotoxicological bioassays based on Lactuca sativa seeds and bioluminescent bacterium (Vibrio fischeri) have been carried out in order to quantify the toxicity of Norfloxacin (NOR) and sodium sulfate solutions, before and after treating them using electrochemical advanced oxidation. The effect of some process variables (anode material, reactor configuration and applied current) on the toxicity evolution of the treated solution has been studied. A NOR solution shows an EC50 (5 days) of 336 mg L-1 towards Lactuca sativa. This threshold NOR concentration decreases with sodium sulfate concentration, in solutions that contain simultaneously Norfloxacin and sodium sulfate. In every case considered in this work, the electrochemical advanced oxidation process increased the toxicity (towards both Lactuca sativa and Vibrio fischeri) of the solution. This toxicity increase is mainly due to the persulfate formation during the electrochemical treatment. From a final solution toxicity point of view, the best results were obtained using a BDD anode in a divided reactor applying the lowest current intensity.The authors are very grateful to the Ministerio de Economia y Competitividad (Projects CTQ2015-65202-C2-1-R and RTI2018-101341-B-C21) for their economic support.Montañés, M.; GarcĂ­a GabaldĂłn, M.; Roca-PĂ©rez, L.; Giner-Sanz, JJ.; Mora-GĂłmez, J.; PĂ©rez-Herranz, V. (2020). Analysis of norfloxacin ecotoxicity and the relation with its degradation by means of electrochemical oxidation using different anodes. Ecotoxicology and Environmental Safety. 188:1-10. https://doi.org/10.1016/j.ecoenv.2019.109923S110188Banks, M. K., & Schultz, K. E. (2005). Comparison of Plants for Germination Toxicity Tests in Petroleum-Contaminated Soils. Water, Air, and Soil Pollution, 167(1-4), 211-219. doi:10.1007/s11270-005-8553-4Barreto, J. P. d. P., Araujo, K. C. d. F., de Araujo, D. M., & Martinez-Huitle, C. A. (2015). Effect of sp3/sp2 Ratio on Boron Doped Diamond Films for Producing Persulfate. ECS Electrochemistry Letters, 4(12), E9-E11. doi:10.1149/2.0061512eelBueno, F., Borba, F. H., Pellenz, L., Schmitz, M., Godoi, B., Espinoza-Quiñones, F. R., 
 MĂłdenes, A. N. (2018). Degradation of ciprofloxacin by the Electrochemical Peroxidation process using stainless steel electrodes. Journal of Environmental Chemical Engineering, 6(2), 2855-2864. doi:10.1016/j.jece.2018.04.033Carlesi Jara, C., Fino, D., Specchia, V., Saracco, G., & Spinelli, P. (2007). Electrochemical removal of antibiotics from wastewaters. Applied Catalysis B: Environmental, 70(1-4), 479-487. doi:10.1016/j.apcatb.2005.11.035Charles, J., Crini, G., Degiorgi, F., Sancey, B., Morin-Crini, N., & Badot, P.-M. (2013). Unexpected toxic interactions in the freshwater amphipod Gammarus pulex (L.) exposed to binary copper and nickel mixtures. Environmental Science and Pollution Research, 21(2), 1099-1111. doi:10.1007/s11356-013-1978-1Chen, M., & Chu, W. (2012). Degradation of antibiotic norfloxacin in aqueous solution by visible-light-mediated C-TiO2 photocatalysis. Journal of Hazardous Materials, 219-220, 183-189. doi:10.1016/j.jhazmat.2012.03.074Coledam, D. A. C., Aquino, J. M., Silva, B. F., Silva, A. J., & Rocha-Filho, R. C. (2016). Electrochemical mineralization of norfloxacin using distinct boron-doped diamond anodes in a filter-press reactor, with investigations of toxicity and oxidation by-products. Electrochimica Acta, 213, 856-864. doi:10.1016/j.electacta.2016.08.003Da Silva, S. W., Navarro, E. M. O., Rodrigues, M. A. S., Bernardes, A. M., & PĂ©rez-Herranz, V. (2019). Using p-Si/BDD anode for the electrochemical oxidation of norfloxacin. Journal of Electroanalytical Chemistry, 832, 112-120. doi:10.1016/j.jelechem.2018.10.049Davis, J., Baygents, J. C., & Farrell, J. (2014). Understanding Persulfate Production at Boron Doped Diamond Film Anodes. Electrochimica Acta, 150, 68-74. doi:10.1016/j.electacta.2014.10.104Oliveira, G. A. R. de, Leme, D. M., de Lapuente, J., Brito, L. B., PorredĂłn, C., Rodrigues, L. de B., 
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 FernĂĄndez-Piñas, F. (2013). Toxicity of five antibiotics and their mixtures towards photosynthetic aquatic organisms: Implications for environmental risk assessment. Water Research, 47(6), 2050-2064. doi:10.1016/j.watres.2013.01.020Gustavson, K. E., Sonsthagen, S. A., Crunkilton, R. A., & Harkin, J. M. (2000). Groundwater toxicity assessment using bioassay, chemical, and toxicity identification evaluation analyses. Environmental Toxicology, 15(5), 421-430. doi:10.1002/1522-7278(2000)15:53.0.co;2-zHeberle, A. N. A., Alves, M. E. P., da Silva, S. W., Klauck, C. R., Rodrigues, M. A. S., & Bernardes, A. M. (2019). Phytotoxicity and genotoxicity evaluation of 2,4,6-tribromophenol solution treated by UV-based oxidation processes. Environmental Pollution, 249, 354-361. doi:10.1016/j.envpol.2019.03.057Iniesta, J. (2001). Electrochemical oxidation of phenol at boron-doped diamond electrode. Electrochimica Acta, 46(23), 3573-3578. doi:10.1016/s0013-4686(01)00630-2Larsson, D. G. J., de Pedro, C., & Paxeus, N. (2007). Effluent from drug manufactures contains extremely high levels of pharmaceuticals. Journal of Hazardous Materials, 148(3), 751-755. doi:10.1016/j.jhazmat.2007.07.008Leme, D. M., & Marin-Morales, M. A. (2009). Allium cepa test in environmental monitoring: A review on its application. Mutation Research/Reviews in Mutation Research, 682(1), 71-81. doi:10.1016/j.mrrev.2009.06.002Li, Y., Niu, J., & Wang, W. (2011). Photolysis of Enrofloxacin in aqueous systems under simulated sunlight irradiation: Kinetics, mechanism and toxicity of photolysis products. Chemosphere, 85(5), 892-897. doi:10.1016/j.chemosphere.2011.07.008Liu, P., Zhang, H., Feng, Y., Yang, F., & Zhang, J. (2014). Removal of trace antibiotics from wastewater: A systematic study of nanofiltration combined with ozone-based advanced oxidation processes. Chemical Engineering Journal, 240, 211-220. doi:10.1016/j.cej.2013.11.057Mao, F., He, Y., & Gin, K. (2018). Evaluating the Joint Toxicity of Two Benzophenone-Type UV Filters on the Green Alga Chlamydomonas reinhardtii with Response Surface Methodology. Toxics, 6(1), 8. doi:10.3390/toxics6010008Mora-GĂłmez, J., GarcĂ­a-GabaldĂłn, M., Ortega, E., SĂĄnchez-Rivera, M.-J., Mestre, S., & PĂ©rez-Herranz, V. (2018). Evaluation of new ceramic electrodes based on Sb-doped SnO2 for the removal of emerging compounds present in wastewater. Ceramics International, 44(2), 2216-2222. doi:10.1016/j.ceramint.2017.10.178Mora-Gomez, J., Ortega, E., Mestre, S., PĂ©rez-Herranz, V., & GarcĂ­a-GabaldĂłn, M. (2019). Electrochemical degradation of norfloxacin using BDD and new Sb-doped SnO2 ceramic anodes in an electrochemical reactor in the presence and absence of a cation-exchange membrane. Separation and Purification Technology, 208, 68-75. doi:10.1016/j.seppur.2018.05.017Özcan, A., Atılır Özcan, A., & Demirci, Y. (2016). Evaluation of mineralization kinetics and pathway of norfloxacin removal from water by electro-Fenton treatment. Chemical Engineering Journal, 304, 518-526. doi:10.1016/j.cej.2016.06.105Priac, A., Badot, P.-M., & Crini, G. (2017). Treated wastewater phytotoxicity assessment using Lactuca sativa : Focus on germination and root elongation test parameters. Comptes Rendus Biologies, 340(3), 188-194. doi:10.1016/j.crvi.2017.01.002Radix, P., LĂ©onard, M., Papantoniou, C., Roman, G., Saouter, E., Gallotti-Schmitt, S., 
 Vasseur, P. (2000). Comparison of Four Chronic Toxicity Tests Using Algae, Bacteria, and Invertebrates Assessed with Sixteen Chemicals. Ecotoxicology and Environmental Safety, 47(2), 186-194. doi:10.1006/eesa.2000.1966Rizzo, L. (2011). Bioassays as a tool for evaluating advanced oxidation processes in water and wastewater treatment. Water Research, 45(15), 4311-4340. doi:10.1016/j.watres.2011.05.035Seco, J. I., FernĂĄndez-Pereira, C., & Vale, J. (2003). A study of the leachate toxicity of metal-containing solid wastes using Daphnia magna. Ecotoxicology and Environmental Safety, 56(3), 339-350. doi:10.1016/s0147-6513(03)00102-7Uzu, G., Sobanska, S., Sarret, G., Muñoz, M., & Dumat, C. (2010). Foliar Lead Uptake by Lettuce Exposed to Atmospheric Fallouts. Environmental Science & Technology, 44(3), 1036-1042. doi:10.1021/es902190uVasconcelos, T. G., Henriques, D. M., König, A., Martins, A. F., & KĂŒmmerer, K. (2009). Photo-degradation of the antimicrobial ciprofloxacin at high pH: Identification and biodegradability assessment of the primary by-products. Chemosphere, 76(4), 487-493. doi:10.1016/j.chemosphere.2009.03.022Wang, W. C., & Freemark, K. (1995). The Use of Plants for Environmental Monitoring and Assessment. Ecotoxicology and Environmental Safety, 30(3), 289-301. doi:10.1006/eesa.1995.1033Wang, X., Sun, C., Gao, S., Wang, L., & Shuokui, H. (2001). Validation of germination rate and root elongation as indicator to assess phytotoxicity with Cucumis sativus. Chemosphere, 44(8), 1711-1721. doi:10.1016/s0045-6535(00)00520-8Yang, L.-H., Ying, G.-G., Su, H.-C., Stauber, J. L., Adams, M. S., & Binet, M. T. (2008). GROWTH-INHIBITING EFFECTS OF 12 ANTIBACTERIAL AGENTS AND THEIR MIXTURES ON THE FRESHWATER MICROALGA PSEUDOKIRCHNERIELLA SUBCAPITATA. Environmental Toxicology and Chemistry, 27(5), 1201. doi:10.1897/07-471.1Yuan, F., Hu, C., Hu, X., Wei, D., Chen, Y., & Qu, J. (2011). Photodegradation and toxicity changes of antibiotics in UV and UV/H2O2 process. Journal of Hazardous Materials, 185(2-3), 1256-1263. doi:10.1016/j.jhazmat.2010.10.040Zhou, Y., Xu, Y.-B., Xu, J.-X., Zhang, X.-H., Xu, S.-H., & Du, Q.-P. (2015). Combined Toxic Effects of Heavy Metals and Antibiotics on a Pseudomonas fluorescens Strain ZY2 Isolated from Swine Wastewater. International Journal of Molecular Sciences, 16(2), 2839-2850. doi:10.3390/ijms16022839Zhu, L., Santiago-SchĂŒbel, B., Xiao, H., Hollert, H., & Kueppers, S. (2016). Electrochemical oxidation of fluoroquinolone antibiotics: Mechanism, residual antibacterial activity and toxicity change. Water Research, 102, 52-62. doi:10.1016/j.watres.2016.06.00

    Evidence for the strangeness-changing weak decay Ξb−→Λb0π−\Xi_b^-\to\Lambda_b^0\pi^-

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    Using a pppp collision data sample corresponding to an integrated luminosity of 3.0~fb−1^{-1}, collected by the LHCb detector, we present the first search for the strangeness-changing weak decay Ξb−→Λb0π−\Xi_b^-\to\Lambda_b^0\pi^-. No bb hadron decay of this type has been seen before. A signal for this decay, corresponding to a significance of 3.2 standard deviations, is reported. The relative rate is measured to be fΞb−fΛb0B(Ξb−→Λb0π−)=(5.7±1.8−0.9+0.8)×10−4{{f_{\Xi_b^-}}\over{f_{\Lambda_b^0}}}{\cal{B}}(\Xi_b^-\to\Lambda_b^0\pi^-) = (5.7\pm1.8^{+0.8}_{-0.9})\times10^{-4}, where fΞb−f_{\Xi_b^-} and fΛb0f_{\Lambda_b^0} are the b→Ξb−b\to\Xi_b^- and b→Λb0b\to\Lambda_b^0 fragmentation fractions, and B(Ξb−→Λb0π−){\cal{B}}(\Xi_b^-\to\Lambda_b^0\pi^-) is the branching fraction. Assuming fΞb−/fΛb0f_{\Xi_b^-}/f_{\Lambda_b^0} is bounded between 0.1 and 0.3, the branching fraction B(Ξb−→Λb0π−){\cal{B}}(\Xi_b^-\to\Lambda_b^0\pi^-) would lie in the range from (0.57±0.21)%(0.57\pm0.21)\% to (0.19±0.07)%(0.19\pm0.07)\%.Comment: 7 pages, 2 figures, All figures and tables, along with any supplementary material and additional information, are available at https://lhcbproject.web.cern.ch/lhcbproject/Publications/LHCbProjectPublic/LHCb-PAPER-2015-047.htm

    BB flavour tagging using charm decays at the LHCb experiment

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    An algorithm is described for tagging the flavour content at production of neutral BB mesons in the LHCb experiment. The algorithm exploits the correlation of the flavour of a BB meson with the charge of a reconstructed secondary charm hadron from the decay of the other bb hadron produced in the proton-proton collision. Charm hadron candidates are identified in a number of fully or partially reconstructed Cabibbo-favoured decay modes. The algorithm is calibrated on the self-tagged decay modes B+→J/ψ K+B^+ \to J/\psi \, K^+ and B0→J/ψ K∗0B^0 \to J/\psi \, K^{*0} using 3.0 fb−13.0\mathrm{\,fb}^{-1} of data collected by the LHCb experiment at pppp centre-of-mass energies of 7 TeV7\mathrm{\,TeV} and 8 TeV8\mathrm{\,TeV}. Its tagging power on these samples of B→J/ψ XB \to J/\psi \, X decays is (0.30±0.01±0.01)%(0.30 \pm 0.01 \pm 0.01) \%.Comment: All figures and tables, along with any supplementary material and additional information, are available at http://lhcbproject.web.cern.ch/lhcbproject/Publications/LHCbProjectPublic/LHCb-PAPER-2015-027.htm

    Measurements of long-range near-side angular correlations in sNN=5\sqrt{s_{\text{NN}}}=5TeV proton-lead collisions in the forward region

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    Two-particle angular correlations are studied in proton-lead collisions at a nucleon-nucleon centre-of-mass energy of sNN=5\sqrt{s_{\text{NN}}}=5TeV, collected with the LHCb detector at the LHC. The analysis is based on data recorded in two beam configurations, in which either the direction of the proton or that of the lead ion is analysed. The correlations are measured in the laboratory system as a function of relative pseudorapidity, Δη\Delta\eta, and relative azimuthal angle, Δϕ\Delta\phi, for events in different classes of event activity and for different bins of particle transverse momentum. In high-activity events a long-range correlation on the near side, Δϕ≈0\Delta\phi \approx 0, is observed in the pseudorapidity range 2.0<η<4.92.0<\eta<4.9. This measurement of long-range correlations on the near side in proton-lead collisions extends previous observations into the forward region up to η=4.9\eta=4.9. The correlation increases with growing event activity and is found to be more pronounced in the direction of the lead beam. However, the correlation in the direction of the lead and proton beams are found to be compatible when comparing events with similar absolute activity in the direction analysed.Comment: All figures and tables, along with any supplementary material and additional information, are available at https://lhcbproject.web.cern.ch/lhcbproject/Publications/LHCbProjectPublic/LHCb-PAPER-2015-040.htm

    Search for direct production of charginos and neutralinos in events with three leptons and missing transverse momentum in √s = 7 TeV pp collisions with the ATLAS detector

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    A search for the direct production of charginos and neutralinos in final states with three electrons or muons and missing transverse momentum is presented. The analysis is based on 4.7 fb−1 of proton–proton collision data delivered by the Large Hadron Collider and recorded with the ATLAS detector. Observations are consistent with Standard Model expectations in three signal regions that are either depleted or enriched in Z-boson decays. Upper limits at 95% confidence level are set in R-parity conserving phenomenological minimal supersymmetric models and in simplified models, significantly extending previous results

    Jet size dependence of single jet suppression in lead-lead collisions at sqrt(s(NN)) = 2.76 TeV with the ATLAS detector at the LHC

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    Measurements of inclusive jet suppression in heavy ion collisions at the LHC provide direct sensitivity to the physics of jet quenching. In a sample of lead-lead collisions at sqrt(s) = 2.76 TeV corresponding to an integrated luminosity of approximately 7 inverse microbarns, ATLAS has measured jets with a calorimeter over the pseudorapidity interval |eta| < 2.1 and over the transverse momentum range 38 < pT < 210 GeV. Jets were reconstructed using the anti-kt algorithm with values for the distance parameter that determines the nominal jet radius of R = 0.2, 0.3, 0.4 and 0.5. The centrality dependence of the jet yield is characterized by the jet "central-to-peripheral ratio," Rcp. Jet production is found to be suppressed by approximately a factor of two in the 10% most central collisions relative to peripheral collisions. Rcp varies smoothly with centrality as characterized by the number of participating nucleons. The observed suppression is only weakly dependent on jet radius and transverse momentum. These results provide the first direct measurement of inclusive jet suppression in heavy ion collisions and complement previous measurements of dijet transverse energy imbalance at the LHC.Comment: 15 pages plus author list (30 pages total), 8 figures, 2 tables, submitted to Physics Letters B. All figures including auxiliary figures are available at http://atlas.web.cern.ch/Atlas/GROUPS/PHYSICS/PAPERS/HION-2011-02
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