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Sample records for cu esr studies

  1. ESR spectra studies of Cu(Ⅱ) 2,4-dihydroxybenzaldehyde tyrosine complex

    Institute of Scientific and Technical Information of China (English)

    陈德余; 史卫良

    2000-01-01

    A novel Schiff base derived from 2,4-dihydroxybenzaldehyde and tyrosine and its copper(Ⅱ) complex have been synthesized and charcterized. The composition of the complex is K[CuL] ·H2O, where L= H11C16NO5. ESR spectra of the coper(H) complex were investigated at different temperatures and in various solvents. The second order effect and the relaxation effect were observed in the solution spectrum at room temperature, which was satisfactorily explained by spin Hamiltonial. The bonding parameters of coper(Ⅱ) complex were calculated using spectral parameters from ESR spectra at low temperature. Its bonding characterization and stability were disscussed. The result shows that the in-plane σ-bond and the in-plane π-bond in the complex all play an important role.

  2. DSC, ESR and optical absorption studies of Cu{sup 2+} ion doped in boro cadmium tellurite glasses

    Energy Technology Data Exchange (ETDEWEB)

    Gayathri Pavani, P., E-mail: gayathri.potturi@gmail.com [Glassy Material Research Laboratory, Department of Physics, Osmania University, Hyderabad 500 007 (India); Prasad, M.; Chandra Mouli, V. [Glassy Material Research Laboratory, Department of Physics, Osmania University, Hyderabad 500 007 (India)

    2012-06-25

    Highlights: Black-Right-Pointing-Pointer Variation in different physical parameters of the glass system is studied. Black-Right-Pointing-Pointer Variation in glass transition temperature is discussed in terms of different structural parameters. Black-Right-Pointing-Pointer ESR analysis and the bonding parameters determination of the present glass system is interesting. - Abstract: Physical, optical absorption, ESR and DSC studies on 50 B{sub 2}O{sub 3}-(50 - x) CdO-xTeO{sub 2} glasses containing Cu{sup 2+} spin probe have been carried out. Density measurement is carried out by Archimedes principle. Variation in glass transition temperature is discussed in terms of physical parameters. ESR results show that g{sub Parallel-To} > g{sub Up-Tack} indicating that the Cu{sup 2+} ions is in tetragonal distorted octahedral site and its ground state is d{sub x{sub 2-y{sub 2}}}. There are considerable changes in g{sub Parallel-To }, g{sub Up-Tack} and A{sub Parallel-To} values with increasing the concentration of CdO in BCT glass systems. The optical absorption spectra results show that the absorption peak of Cu{sup 2+} is a function of composition. The observed optical absorption peak of Cu{sup 2+} has been found to be minimum at 776 nm for x = 30 mol.% of CdO content. The variations in the physical, optical and bonding parameters clearly indicate the structural changes in the present glass system with varied CdO content.

  3. Predicting ESR Peaks in Copper (II Chelates Having Quadrupolar Coordinating Sites by NMR, ESR and NQR Techniques: A DFT Study

    Directory of Open Access Journals (Sweden)

    Harminder Singh

    2015-06-01

    Full Text Available Computational chemistry was helpful in predicting the number of ESR peaks in Cu (II complexes having a large number of spatially different NMR and ESR active nuclei. The presence of the large Jahn-Teller effect and the high value of spin-orbit coupling constant of the metal ion made the experimental determination of the exact number of ESR peaks quite difficult in such complexes. Fourteen distorted poly-dentate chelating Cu(II complexes included in this study were of two types such as [Cu(gly2] , [Cu(edta]4-,[Cu(tpyX2] (X= Cl, Br, I, NCS and [Cu(en2]2+, [Cu(teta]2+, Cu(tepa]2+ ,[Cu(peha]2+, [Cu(detaX2] (X= Cl, Br, I, NCS.The latter eight complexes belonged to an important class of ligands called polyethylene polyamines. Density functional theory implemented in ADF: 2010.02 was applied. Three parameters of both the ESR (A ten and NQR (NQCC, for the Cu(II and the coordinating atoms of the ligands were obtained from “ESR/EPR program” and two NMR parameters namely the shielding constants (σ and chemical shifts (δ were obtained from “NMR/EPR program” after optimization of the complexes. The species having the same values of these 5 parameters were expected to be spatially equivalent to undergo the same hyperfine interaction with Cu (II.

  4. ESR study of free radicals in mango

    Science.gov (United States)

    Kikuchi, Masahiro; Hussain, Mohammad S.; Morishita, Norio; Ukai, Mitsuko; Kobayashi, Yasuhiko; Shimoyama, Yuhei

    2010-01-01

    An electron spin resonance (ESR) spectroscopic study of radicals induced in irradiated fresh mangoes was performed. Mangoes in the fresh state were irradiated with γ-rays, lyophilized and then crushed into a powder. The ESR spectrum of the powder showed a strong main peak at g = 2.004 and a pair of peaks centered at the main peak. The main peak was detected from both flesh and skin specimens. This peak height gradually decreased during storage following irradiation. On the other hand, the side peaks showed a well-defined dose-response relationship even at 9 days post-irradiation. The side peaks therefore provide a useful means to define the irradiation of fresh mangoes.

  5. Predicting ESR Peaks in Titanium (III, Vanadium (IV and Copper (II Complexes of Halo Ligands by NMR, ESR and NQR Techniques: A DFT Study

    Directory of Open Access Journals (Sweden)

    Harminder Singh

    2015-09-01

    Full Text Available 15 halo (I≥1/2 complexes of Ti (III, V (IV and Cu (II each possessing one unpaired electron were studied using DFT implemented in ADF.2010.02. Aten, NQCC and h parameters of metal ions and ligands were obtained from ESR/EPR program while their σ and δ parameters were given by NMR/EPR program after optimization of complexes. Ligands having same values of these 5 parameters were spatially equivalent and, thus, would undergo same hyperfine interaction. Experimental determination of ESR lines in Cu (II complexes became erroneous because the presence of both the large Jahn-Teller effect and the high value of its spin-orbit coupling constant (λ Cu (II = -830 cm-1 affect the A ten parameter adversely. Cryoscopic conditions, generally required, in ESR experiments of Ti (IIIand V (IVcomplexes were difficult to obtain and cumbersome to maintain.

  6. Ground state of Er[sup 3+] in ErBa[sub 2]Cu[sub 3]O[sub 6]: an ESR study

    Energy Technology Data Exchange (ETDEWEB)

    Huang, M.X. (Dept. of Physics, Maryland Univ., College Park (United States)); Barak, J. (Dept. of Physics, Maryland Univ., College Park (United States)); Bhagat, S.M. (Dept. of Physics, Maryland Univ., College Park (United States)); Peng, J.L. (Dept. of Physics, Maryland Univ., College Park (United States))

    1992-11-01

    The electron spin resonance of single crystals of ErBa[sub 2]Cu[sub 3]O[sub 6] has been measured at low temperatures and frequencies of 36.3, 25.5 and 9.9 GHz with the applied field being rotated from the sample's ab plane to the c-axis. The spectrum appears to be composed of two resonances and is interpreted as a sum of two Kubo-Toyabe lines. The parameters obtained here exhibit little anisotropy and are in reasonable agreement with previous measurements on ErBa[sub 2]Cu[sub 3]O[sub 6] and Er[sub z]Y[sub 1-z]Ba[sub 2]Cu[sub 3]O[sub 6] powder specimens. This confirms our earlier suggestion that the two lowest doublets of the Er[sup 3+] crystal field levels are very close in energy ([approx] 1 K).

  7. ESR STUDY OF PLASMA-TREATED POLYTETRAFLUOROETHYLENE FILMS

    Institute of Scientific and Technical Information of China (English)

    ZHOU Maotang; WANG Shicai; LIU Guizhen; CHEN Jie

    1990-01-01

    The plasma treatment of polytetrafluoroethylene (PTFE) films was carried out in a capacitively coupled reactor with external electrodes. The free radicals generated in the process of treatment were detected by ESR techniques. The ESR spectra tended to indicate that the free radicals of the plasma-treated PTFE film sample were turned into peroxy radicals on exposure to air. The extrema separation (W) of the ESR spectrum of the peroxy radical increased with the lowering temperature and underwent a sudden change within the temperature range of 170 to 190K. The ESR spectrum observed at 77K was quite different from that observed at room temperature. Finally, the effects of treatment time, input power and system pressure on radical concentration of the treated samples were studied. The attenuation of the peroxy radical at room temperature was also investigated.

  8. Mobility Studies on Nitroxyl Radicals using ESR 300 MHz Spectrometer

    Science.gov (United States)

    Dhas, M. Kumara; Franklin Benial, A. Milton; Jawahar, A.

    2011-07-01

    The mobility studies on 14N labeled TEMPOL, carboxy PROXYL, carbamoyl PROXYL in pure water, pure water and glycerol at ratio (15:85) was carried out using 300 MHz ESR spectrometer. The ESR parameters such as linewidth, signal intensity ratio and correlation time were determined. The isotropic g-factor and hyperfine coupling constant were also estimated. This ESR study reveals that the dipolar and spin exchange interactions are less in the 14N labeled TEMPOL radical. This phenomenon can be explained in terms of the structural, physical and chemical properties of the TEMPOL molecule. The mobility of TEMPOL radical is not much affected by the high viscous medium. Hence the TEMPOL radical can be used as a good spin probe in high viscous medium.

  9. ESR studies on flint with a difference-spectrum method

    Science.gov (United States)

    Walther, R.; Zilles, D.

    Dating of fired flints with ESR is often difficult because of disturbing signals in the ESR spectrum. Flint samples from the archaeological sites 'San Quintin de Mediona' (NE Spain) and 'Berigoule' (in the south of France) were used for studies on the Al centre in heated material. Our samples measured at 100 K show the Al signal with very weak hyperfine structure and an unidentified disturbing signal, similar to the spectra described by Porat and Schwarcz (1991). We tested a new method for subtracting the spectrum of a disturbing signal from the Al spectrum (as an alternative procedure to the method proposed by Porat and Schwarcz, 1991), using different measurement temperatures. The DE determination with these filtered Al spectra was carried out and was compared with the usual procedure on one flint sample. For comparison with the ESR results we measured TL on some of the samples.

  10. ESR studies of E' centres in geological flint

    Energy Technology Data Exchange (ETDEWEB)

    Bartoll, J. E-mail: bartoll@mcmail.cis.mcmaster.ca; Schwarcz, H.P.; Rink, W.J

    2001-12-01

    Properties of E' centres of high geological age in flint from different locations have been studied. ESR spectra of {gamma}-irradiated samples of heated and unheated Silurian and Eocene flint show thermally unstable components. The spectrum of one species could be simulated using the g values: 2.00164, 2.00059, and 2.00046. Two others deliver ESR-signals at g=2.0015 and 2.0012, respectively. These unstable components cannot be identified with any known E' centres. About 50% of the ESR intensity of the E' centres in unheated flint induced by artificial {gamma}-rays is thermally stable. This effect is probably due to a steady state and might be useful for dating of unburned flint tools ('skinflint dating')

  11. ESR STUDY OF FREE RADICALS IN IRRADIATED POLYAMIDE- 1010

    Institute of Scientific and Technical Information of China (English)

    ZHOU Maotang; ZHANG Lihua; LIU Yayan; CHEN Donglin

    1993-01-01

    Polyamide-1010 samples were irradiated in vacuum at room temperature by Cobalt-60γ-rays. The free radicals formed in irradiation were studied by means of electron spin resonance (ESR)techniques. The ESR spectra consisted of a quartet and a superimposed singlet whichwere attributed to radical - CO - NH - CH - CH2 and - CH2 - C = O, respectively. The effects of temperature and crystallinity on the radicals were discussed and the mechanism for the production and decay of the radicals was also proposed.

  12. Tuning the spin coherence time of Cu(II−(bisoxamato and Cu(II−(bisoxamidato complexes by advanced ESR pulse protocols

    Directory of Open Access Journals (Sweden)

    Ruslan Zaripov

    2017-04-01

    Full Text Available We have investigated with the pulsed ESR technique at X- and Q-band frequencies the coherence and relaxation of Cu spins S = 1/2 in single crystals of diamagnetically diluted mononuclear [n-Bu4N]2[Cu(opba] (1% in the host lattice of [n-Bu4N]2[Ni(opba] (99%, opba = o-phenylenebis(oxamato and of diamagnetically diluted mononuclear [n-Bu4N]2[Cu(opbon-Pr2] (1% in the host lattice of [n-Bu4N]2[Ni(opbon-Pr2] (99%, opbon-Pr2 = o-phenylenebis(N(propyloxamidato. For that we have measured the electron spin dephasing time Tm at different temperatures with the two-pulse primary echo and with the special Carr–Purcell–Meiboom–Gill (CPMG multiple microwave pulse sequence. Application of the CPMG protocol has led to a substantial increase of the spin coherence lifetime in both complexes as compared to the primary echo results. It shows the efficiency of the suppression of the electron spin decoherence channel in the studied complexes arising due to spectral diffusion induced by a random modulation of the hyperfine interaction with the nuclear spins. We argue that this method can be used as a test for the relevance of the spectral diffusion for the electron spin decoherence. Our results have revealed a prominent role of the opba4– and opbon-Pr24– ligands for the dephasing of the Cu spins. The presence of additional 14N nuclei and protons in [Cu(opbon-Pr2]2– as compared to [Cu(opba]2– yields significantly shorter Tm times. Such a detrimental effect of the opbon-Pr24− ligands has to be considered when discussing a potential application of the Cu(II−(bisoxamato and Cu(II−(bisoxamidato complexes as building blocks of more complex molecular structures in prototype spintronic devices. Furthermore, in our work we propose an improved CPMG pulse protocol that enables elimination of unwanted echoes that inevitably appear in the case of inhomogeneously broadened ESR spectra due to the selective excitation of electron spins.

  13. Usability of tartaric acid in dose measurements: an ESR study

    Science.gov (United States)

    Korkmaz, Güney; Polat, Mustafa; Korkmaz, Mustafa

    2010-03-01

    Unirradiated tartaric acid samples do not exhibit any ESR signal. However, the ESR spectra of irradiated samples contain many resonance signals. The dose-responce curves of the resonance signals, denoted as I 1, I 2, I 3 and I 4 in the present study, were found to increase linearly with the applied radiation dose in the range of 0.04-25 kGy. Adjusting the microvawe power and modulation amplitudes of 1.0 mW and 1.0 mT, respectively, was found to increase the sensitivity of tartaric acid. From the dose-response curves and room temperature decay data, it was concluded that the I 3 resonance signal of tartaric acid can be used for dose measurements at intermediate (0.04-0.4 kGy) and high dose (0.5-25 kGy) levels.

  14. High-field multi-frequency ESR spectroscopy of La{sub 2}CuIrO{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Fuchs, Stephan; Kataev, Vladislav; Manna, Kaustuv; Wurmehl, Sabine; Malyuk, Andrey [Leibniz-Institut fuer Festkoerper- und Werkstoffforschung Dresden, IFW Dresden (Germany); Bera, Anup Kumar [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Berlin (Germany); Buechner, Bernd [Leibniz-Institut fuer Festkoerper- und Werkstoffforschung Dresden, IFW Dresden (Germany); Institut fuer Festkoerperphysik, Technische Univ. Dresden (Germany)

    2016-07-01

    We will present the electron spin resonance results of the double perovskite La{sub 2}CuIrO{sub 6}. This material provides a playground to examine the magnetic interactions in a 5d transition metal oxide with strong spin-orbit coupling. Measurements of the static magnetization M(T,H) show an antiferromagnetic ordering at T{sub AFM} = 74 K and a weak ferromagnetic moment below 54 K. ESR measurements of the powder sample were carried out for several temperatures and frequencies to determine the g-factor and the magnetic exaction gap. Our goal is to identify the origin of the ferromagnetic contribution with ESR. We observe an opening of the ferromagnetic gap at T=93 K (> T{sub AFM}) which continuously develops over the T{sub AFM} down to low temperature. The complex interaction of the Cu- and Ir-spin gives rise to the continuous shift of the g-factor: By decreasing the temperature, the Ir spins are getting progressively more involved in the resonance of the statically ordered Cu spin lattice due to exchange coupling between the two sublattices. We conclude that the weak ferromagnetic component in La{sub 2}CuIrO{sub 6} is intrinsic which points at a noncollinear spin-structure in the ordered state.

  15. ESR/spin probe study of ice cream.

    Science.gov (United States)

    Gillies, Duncan G; Greenley, Katherine R; Sutcliffe, Leslie H

    2006-07-12

    Spin probes based on the 1,1,3,3-tetramethylisoindolin-2-yl structure have been used, in conjunction with electron spin resonance spectroscopy (ESR), to study the physical changes occurring in ice cream during freezing and melting. The ESR measurements allowed the rotational correlation times, tau(B), of the spin probes to be determined. Two probes were used together in a given sample of ice cream, namely, 1,1,3,3-tetramethylisoindolin-2-yl (TMIO), which samples the fat phase, and the sodium salt of 1,1,3,3-tetramethylisoindolin-2-yloxyl-5-sulfonate (NaTMIOS), which samples the aqueous phase. Data from the TMIO probe showed that when ice cream is cooled, the fat phase is a mixture of solid and liquid fat until a temperature of approximately -60 degrees C is reached. The water-soluble probe NaTMIOS showed that the aqueous phase changes completely from liquid to solid within 1 degrees C of -18 degrees C. On cooling further to -24.7 degrees C and then allowing it to warm to +25.0 degrees C, the rotational correlation times of the NaTMIOS were slow to recover to their previous values. For the lipid phase, tau(B)(298) was found to be 65.7 +/- 2.0 ps and the corresponding activation enthalpy, DeltaH, was 32.5 +/- 0.9 kJ mol(-)(1): These values are typical of those expected to be found in the type of fat used to make ice cream. The water phase gave corresponding values of 32.2 +/- 0.5 ps and 24.5 +/- 0.4 kJ mol(-)(1) values, which are those expected for a sucrose concentration of 24%.

  16. Comparative Study of Erythrocyte Sedimentation Rate (ESR) Using ...

    African Journals Online (AJOL)

    MICHAEL

    Committee for Standardization in Haematology (ICSH). The tests were read ... Secondly, ESR is time dependent; therefore, the conventional time of 1 hour should be ... auto-immune diseases, systemic lupus erythematosus, rheumatoid arthritis ...

  17. Diffusion studies on permeable nitroxyl spin probes through bilayer lipid membranes: A low frequency ESR study

    Energy Technology Data Exchange (ETDEWEB)

    Meenakumari, V.; Benial, A. Milton Franklin, E-mail: miltonfranklin@yahoo.com [Department of Physics, NMSSVN College, Nagamalai, Madurai-625019, Tamilnadu (India); Utsumi, Hideo; Ichikawa, Kazuhiro; Yamada, Ken-ichi [Department of Bio-functional Science, Kyushu University, Fukuoka (Japan); Hyodo, Fuminori [Innovation Center for Medical Redox Navigation, Kyushu University, Fukuoka (Japan); Jawahar, A. [Department of Chemistry, NMSSVN College, Nagamalai, Madurai-625019, Tamilnadu (India)

    2015-06-24

    Electron spin resonance (ESR) studies were carried out for permeable 2mM {sup 14}N-labeled deutrated 3 Methoxy carbonyl-2,2,5,5-tetramethyl-pyrrolidine-1-oxyl (MC-PROXYL) in pure water and 1mM, 2mM, 3mM, 4mM concentration of 14N-labeled deutrated MC-PROXYL in 400mM concentration of liposomal solution by using a 300 MHz ESR spectrometer. The ESR parameters such as linewidth, hyperfine coupling constant, g-factor, partition parameter and permeability were reported for these samples. The line broadening was observed for the nitroxyl spin probe in the liposomal solution. The line broadening indicates that the high viscous nature of the liposomal solution. The partition parameter and permeability values indicate the maximum diffusion of nitroxyl spin probes in the bilayer lipid membranes at 2 mM concentration of nitroxyl radical. This study illustrates that ESR can be used to differentiate between the intra and extra- membrane water by loading the liposome vesicles with a lipid-permeable nitroxyl spin probe. From the ESR results, the spin probe concentration was optimized as 2mM in liposomal solution for ESR phantom studies/imaging, invivo and invitro experiments.

  18. ESR studies of high-energy phosphorus-ion implanted synthetic diamond crystals

    Energy Technology Data Exchange (ETDEWEB)

    Isoya, J. [University of Library and Information Science, Tsukuba, Ibaraki (Japan); Kanda, H.; Morita, Y.; Ohshima, T.

    1997-03-01

    Phosphorus is among potential n-type dopants in diamond. High pressure synthetic diamond crystals of type IIa implanted with high energy (9-18 MeV) phosphorus ions have been studied by using electron spin resonance (ESR) technique. The intensity and the linewidth of the ESR signal attributed to the dangling bond of the amorphous phase varied with the implantation dose, suggesting the nature of the amorphization varies with the dose. The ESR signals of point defects have been observed in the low dose as-implanted crystals and in the high dose crystals annealed at high temperature and at high pressure. (author)

  19. An ESR study on biological dosimeters: Human hair

    Energy Technology Data Exchange (ETDEWEB)

    Colak, Seyda, E-mail: seyda@hacettepe.edu.t [Hacettepe University, Physics Engineering Department, 06800 Ankara (Turkey); Ozbey, Turan [Hacettepe University, Physics Engineering Department, 06800 Ankara (Turkey)

    2011-05-15

    In the present work, characteristic features of the radicals found in untreated, gamma and UV-irradiated and mechanical damaged human hair samples were investigated by ESR spectroscopy. Heights of the resonance peaks measured with respect to the spectrum base line were used to monitor microwave power, dose-response, storage time and temperature dependent kinetic features of the radical species contributing to the formation of recorded experimental ESR spectra. Peak heights and g-values (2.0037-2.0052) determined from recorded spectra of hair were color dependent with {Delta}Hpp-0.47 mT. The act of cutting hair samples gene rates sulfur centered radicals which are found in the a-keratin structure of hair. The variations of the peak heights with temperature were related with the water content found in the hair samples. In the 6-1100 Gy dose range, a linear + quadratic dose-response curve was recorded for hair and the mean radiation yield (G{sub mean}) was calculated to be 0.4. The gamma radiation induced radicals were stable for a several hours at room temperature storage conditions. Based on these findings it was concluded that human hair samples could be used as biological/personnel dosimeters and that ESR spectroscopy could be successfully used as a potential technique for monitoring its dosimetric behaviours.

  20. ESR, SIMS and TEMF of an Y-Ba-Cu-O superconductor

    Science.gov (United States)

    Kirschner, I.; Giber, J.; Halasz, I.

    1995-01-01

    Superconducting transition comes into being between 92 K and 82 K in the samples having a Meissner's state value of 68 vol. percent. The main material content has an orthorhombic unit cell of Y1Ba2Cu408 accompanied by low quantity CuO and a sporadic phase. A proof of anisotropic superconductivity, an unusually high Cu ion concentration and a temperature dependent transition of charge carriers have been observed.

  1. ESR and TL studies of irradiated Anatolian laurel leaf (Laurus nobilis L.)

    Science.gov (United States)

    Tepe Çam, Semra; Aydaş, Canan; Engin, Birol; Rabia Yüce, Ülkü; Aydın, Talat; Polat, Mustafa

    2012-06-01

    Laurel leaf (Laurus nobilis L.) samples that originated from Turkey were analyzed by electron spin resonance (ESR) and thermoluminescence (TL) techniques before and after γ-irradiation. Unirradiated (control) laurel leaf samples exhibit a weak ESR singlet centered at g=2.0020. Besides this central signal were two weak satellite signals situated about 3 mT left and right to it in radiation-induced spectra. The dose-response curve of the radiation-induced ESR signal at g=2.0187 (the left satellite signal) was found to be described well by a power function. Variation of the left satellite ESR signal intensity of irradiated samples at room temperature with time in a long term showed that cellulosic free radicals responsible for the ESR spectrum of laurel leaves were not stable but detectable even after 100 days. Annealing studies at four different temperatures were used to determine the kinetic behavior and activation energy of the radiation-induced cellulosic free radicals responsible from the left satellite signal (g=2.0187) in laurel leaves. TL measurements of the polymineral dust isolated from the laurel leaf samples allowed distinguishing between irradiated and unirradiated samples.

  2. Mechanism of Cr(VI) adsorption by coir pith studied by ESR and adsorption kinetic.

    Science.gov (United States)

    Suksabye, Parinda; Nakajima, Akira; Thiravetyan, Paitip; Baba, Yoshinari; Nakbanpote, Woranan

    2009-01-30

    The oxidation state of chromium in coir pith after Cr(VI) adsorption from aqueous solution was investigated using electron spin resonance (ESR). To elucidate the mechanism of chromium adsorption on coir pith, the adsorption studies of Cr(VI) onto lignin, alpha-cellulose and holocellulose extracted from coir pith were also studied. ESR signals of Cr(V) and Cr(III) were observed in coir pith adsorbed Cr(VI) at solution pH 2, while ESR spectra of lignin extracted from coir pith revealed only the Cr(III) signal. In addition, ESR signal of Cr(V) was observed in alpha-cellulose and holocellulose extracted from coir pith adsorbed Cr(VI). These results confirmed that lignin in coir pith reduced Cr(VI) to Cr(III) while alpha-cellulose and holocellulose extracted from coir pith reduced Cr(VI) to Cr(V). The Cr(V) signal exhibited in ESR of alpha-cellulose and holocellulose might be bound with glucose in cellulose part of coir pith. In addition, xylose which is main in pentosan part of coir pith, indicated that it is involved in form complex with Cr(V) on coir pith. The adsorption kinetic of Cr(VI) from aqueous solution on coir pith was also investigated and described well with pseudo second order model. ESR and desorption experiments confirmed that Cr(VI), Cr(V) and Cr(III), exist in coir pith after Cr(VI) adsorption. The desorption data indicated that the percentage of Cr(VI), Cr(V) and Cr(III) in coir pith were 15.63%, 12.89% and 71.48%, respectively.

  3. Mechanism of Cr(VI) adsorption by coir pith studied by ESR and adsorption kinetic

    Energy Technology Data Exchange (ETDEWEB)

    Suksabye, Parinda [Joint Graduate School of Energy and Environment, King Mongkut' s University of Technology Thonburi, 91 Pracha-Utit Road, Bangmod, Thungkru, Bangkok 10140 (Thailand); Nakajima, Akira [Division of Chemistry, Department of Medical Science, Faculty of Medicine, University of Miyazaki, Kiyotake, Miyazaki 889 1692 (Japan); Thiravetyan, Paitip [Division of Biotechnology, School of Bioresources and Technology, King Mongkut' s University of Technology Thonburi, 83 Moo.8 Thakham, Bangkhuntien, Bangkok 10150 (Thailand)], E-mail: paitip.thi@kmutt.ac.th; Baba, Yoshinari [Department of applied Chemistry, Faculty of Technology, University of Miyazaki, Gakuen-Kibabadai, Miyazaki 889 2192 (Japan); Nakbanpote, Woranan [Pilot Plant Development and Training Institute, King Mongkut' s University of Technology Thonburi, 83 Moo.8 Thakham, Bangkhuntien, Bangkok 10150 (Thailand)

    2009-01-30

    The oxidation state of chromium in coir pith after Cr(VI) adsorption from aqueous solution was investigated using electron spin resonance (ESR). To elucidate the mechanism of chromium adsorption on coir pith, the adsorption studies of Cr(VI) onto lignin, {alpha}-cellulose and holocellulose extracted from coir pith were also studied. ESR signals of Cr(V) and Cr(III) were observed in coir pith adsorbed Cr(VI) at solution pH 2, while ESR spectra of lignin extracted from coir pith revealed only the Cr(III) signal. In addition, ESR signal of Cr(V) was observed in {alpha}-cellulose and holocellulose extracted from coir pith adsorbed Cr(VI). These results confirmed that lignin in coir pith reduced Cr(VI) to Cr(III) while {alpha}-cellulose and holocellulose extracted from coir pith reduced Cr(VI) to Cr(V). The Cr(V) signal exhibited in ESR of {alpha}-cellulose and holocellulose might be bound with glucose in cellulose part of coir pith. In addition, xylose which is main in pentosan part of coir pith, indicated that it is involved in form complex with Cr(V) on coir pith. The adsorption kinetic of Cr(VI) from aqueous solution on coir pith was also investigated and described well with pseudo second order model. ESR and desorption experiments confirmed that Cr(VI), Cr(V) and Cr(III), exist in coir pith after Cr(VI) adsorption. The desorption data indicated that the percentage of Cr(VI), Cr(V) and Cr(III) in coir pith were 15.63%, 12.89% and 71.48%, respectively.

  4. Solid-state NMR and ESR studies of activated carbons produced from pecan shells

    Science.gov (United States)

    Activated carbon from pecan shells has shown promise as an adsorbent in water treatment and sugar refining. However, the chemistry of the material is complex and not fully understood. We report here the application of solid state NMR and ESR to study the chemical structure, mobility, and pore volu...

  5. A study based on ESR, XRD and SEM of signal induced by gamma irradiation in eggshell

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Z.M. da [Department of Physics, Departamento de Fisica Geral e Experimental - Rua do Matao, University of Sao Paulo, Travessa R, No.187 - 05508-900 Sao Paulo (Brazil); Instituto de Pesquisas Energeticas e Nucleares - IPEN/CNEN - Sao Paulo (Brazil)], E-mail: zamada@if.usp.br; Pontuschka, W.M.; Ludwig, V.; Giehl, J.M. [Department of Physics, Departamento de Fisica Geral e Experimental - Rua do Matao, University of Sao Paulo, Travessa R, No.187 - 05508-900 Sao Paulo (Brazil); Costa, C.R. da [Universidad Autonoma de Barcelona (Spain); Duarte, E.L. [Department of Physics, Departamento de Fisica Geral e Experimental - Rua do Matao, University of Sao Paulo, Travessa R, No.187 - 05508-900 Sao Paulo (Brazil)

    2007-07-15

    ESR (electron spin resonance), XRD (X-ray diffraction) patterns and SEM (scanning electron microscopy) of irradiated calcium carbonate (CaCO{sub 3}) in eggshell was investigated. The ionizing radiation produces an electron centre CO{sub 3}{sup 3-}, a hole centre CO{sub 3}{sup -}, and the CO{sub 2}{sup -} molecular ion also formed. The ESR centre with g{sub parallel}=1.9977 and g{sub perpendicular} =2.0021 was identified as the same found in hydroxyapatite. The work aims to standardize the samples preparation method and the conditions of measured for practical application by the specialist in emergency dosimetry. In this regard, practical consideration of sample preparation conditions and properties such as grain size, ESR spectra, and the temperature dependence of the signal were studied in detail. Dose response appears to be linear between 3 Gy and 1 kGy. No dose rate dependence was observed. The morphology of the calcined eggshell presented extensive morphological change on the calcinations process. Careful analyses of the ESR spectra are presently in progress in order to undertake and identify the radicals involved.

  6. Studies of semiquinone free radicals by ESR in the whole soil, HA, FA and humin substances

    Directory of Open Access Journals (Sweden)

    Saab Sérgio C

    2004-01-01

    Full Text Available In this work it was studied soil organic matter from a gley soil, using ESR (electron spin resonance spectroscopy. The studied soil samples were collected in Rio de Janeiro, Brazil. Humic and fulvic acid, humin macromolecules, and whole soil samples were analyzed. The results showed that the amount and line width of semiquinone free radical from whole soil samples had good correlation with humin fraction and no correlation with humic and fulvic acids contents.

  7. ESR study of advanced materials with new parameters frequency and pressure

    CERN Document Server

    Mizoguchi, K

    2000-01-01

    It is well known that electron spin resonance (ESR) is a useful technique to investigate the magnetic properties of electrons in condensed matter. The frequency, as an additional parameter to the temperature, gives us the possibility to study the anisotropic dynamics of charge carriers with spin, even in polycrystalline materials. Furthermore, the pressure provides us a way to discuss how interactions between the electrons and their environments are responsible for the novel physical properties in these advanced materials, such as ferromagnetisms, charge-density waves, superconductivity, and so on. Results obtained by using ESR with these parameters are overviewed. Studies as a function of the frequency are demonstrated, especially for the conductive polymers, polyacetylene, polyaniline, and polypyrrole with various dopants for which single crystals are not available yet. Alkali-electro-sodalite (AES), a kind of zeolite with a regular electron lattice known as an s-electron Mott insulator, and fullerene compo...

  8. Synthesis and ESR studies of 2'-deoxyuridines tethered with alkynyl, rod-like linkages#

    Science.gov (United States)

    Sniady, Adam; Sevilla, Michael D.; Meneni, Srinivasarao; Lis, Tadeusz; Szafert, Slawomir; Khanduri, Deepthi; Finke, John M.; Dembinski, Roman

    2015-01-01

    Sonogashira coupling of diacetyl 5-ethynyl-2'-deoxyuridine with diacetyl 5-iodo-2'-deoxyuridine gave the acylated ethynediyl-linked 2'-deoxyuridine dimer (3b) (63%) that was deprotected with ammonia/methanol to ethynediyl-linked 2'-deoxyuridines (3a) (79%). Reaction of 5-ethynyl-2'-deoxyuridine (1a) with 5-iodo-2'-deoxyuridine gave the furopyrimidine linked to 2'-deoxyuridine (78%). Catalytic oxidative coupling of 1a (O2, CuI, Pd/C, DMF) gave the butadiynediyl-linked 2'-deoxyuridines (4) (84%). Double Sonogashira coupling of 5-iodo-2'-deoxyuridine with 1,4-bis(ethynyl)benzene gave 1,4-phenylenediethyne-bridged 5-ethynyl-2'-deoxyuridines (5, 83%). Cu-catalyzed cycloisomerization of dimers 4 and 5 gave their furopyrimidine derivatives. One electron addition to 1a, 3a and 4 gave the anion radical whose ESR spectra showed the unpaired electron largely localized at C6 of one uracil ring (17 G doublet) at 77 K. For the ethynediyl- and butadiynyl-linked uridines 3a and 4 the ESR spectra of their one electron oxidized species at 77 K showed that the unpaired electron is delocalized over both rings. Thus structures 3a and 4 provide an efficient electronic link for hole conduction between the uracil rings. However, for the excess electron, an activation barrier prevents coupling to both rings. These dimeric structures could provide a gate that could separate hole transfer from electron transport between strands in DNA systems. In the crystal structure of acylated dimer 3b the bases were found in the anti position to each other across the ethynyl link. Similar anti conformation was preserved in the derived furopyrimidine–deoxyuridine dinucleoside. PMID:19609983

  9. ESR studies on Er sup 3 sup + -doped YBiPt compound

    CERN Document Server

    Guener, S; Aktas, B

    2003-01-01

    The semi-metallic cubic compound YBiPt doped by Er sup 3 sup + (4f sup 1 sup 1) has been studied by ESR technique between 4 and 300 K. X-band and Q-band measurements have been performed. The angular dependence of the ESR spectra on the crystal orientation with respect to the static magnetic field has been measured. Two anisotropic lines with hyperfine peaks coming from the interaction between electronic and nuclear spins of sup 1 sup 6 sup 7 Er sup 3 sup + (I=7/2) isotopes have been observed below 30 K in the spectra. Computer modeling showed that these lines are the ESR signals from the quadruplet ground state of Er sup 3 sup + ions in the cubic crystal field. The values of crystal field parameters B sub 4 =-5.68 x 10 sup - sup 4 cm sup - sup 1 and B sub 6 =-6.64 x 10 sup - sup 6 cm sup - sup 1 have been extracted. Also an isotropic line near g=2 have been observed in both frequency bands. Dysonian lineshape of the spectra components due to the skin-depth effect shows the conducting property of the sample un...

  10. ESR study of thermal demagnetization processes in ferromagnetic nanoparticles with Curie temperatures between 40 and 60 deg. C

    Energy Technology Data Exchange (ETDEWEB)

    Kuznetsov, Oleg A. [Institute of Biochemical Physics, Russian Academy of Sciences (RAS), Kosygin St. 4, Moscow 119991 (Russian Federation)]. E-mail: kuznetsov_oa@yahoo.com; Sorokina, Olga N. [Institute of Biochemical Physics, Russian Academy of Sciences (RAS), Kosygin St. 4, Moscow 119991 (Russian Federation); Leontiev, Vladimir G. [Institute of Metallurgy, Russian Academy of Sciences (RAS), Moscow 119991 (Russian Federation); Shlyakhtin, Oleg A. [Institute of Chemical Physics, Russian Academy of Sciences (RAS), Kosygin St. 4, Moscow 119991 (Russian Federation); Kovarski, Alexander L. [Institute of Biochemical Physics, Russian Academy of Sciences (RAS), Kosygin St. 4, Moscow 119991 (Russian Federation); Kuznetsov, Anatoly A. [Institute of Biochemical Physics, Russian Academy of Sciences (RAS), Kosygin St. 4, Moscow 119991 (Russian Federation)

    2007-04-15

    Thermal demagnetization in the vicinity of the Curie temperature of silver and sodium manganite nanoparticles, as well as copper-nickel and palladium-nickel alloy nanoparticles were studied by both static magnetic measurements and by electron spin resonance (ESR). ESR data indicate that some magnetic ordering remains even above the Curie temperature, determined by static magnetometry. Mechanisms of thermal demagnetization in alloy nanoparticles appear to be different from that in manganites.

  11. Pulse radiolysis studies of short-lived species in solid amino acids as precursors of radicals and detected by ESR

    Science.gov (United States)

    Zagórski, Z. P.; Gładysz, Katarzyna

    1995-06-01

    The aim of the study was to bring closer solid state radiation chemistry and ESR spectroscopy by looking for precursors of free radicals which give ESR signals. It has been performed using time-resolved spectrophotometry (pulse radiolysis of the solid state) and diffuse reflection spectrophotometry. Alanine has been especially considered as the most investigated amino acid, important for radiation dosimetry. Absorption of the transient (Λ maximum at 460 nm) is identified as the species during deamination. The stable absorption spectrum with the Λ maximum at 345 nm is due to the same radical as the one detected by ESR. Other amino acids: valine, threonine, glutamine and arginine show similar behaviour: microsecond spectrum of the intermediate appears always at longer wavelenghts. The transient spectrum changes into stable absorption in UV of a lower wavelenght. Along with the optical spectrum, the ESR spectrum appears, of similar stability. Also, other features indicate that the same radical is responsible for both the electronic and ESR spectrum. Some amino acids, like methionine give intensive transient absorption in the microsecond range but no ESR signal, after completion of consecutive fast reactions. In that case any optical absorption is due to the stable product of radiolysis, i.e. compounds with paired electrons only.

  12. ESR and optical absorption studies of gamma- and electron-irradiated sugar crystals

    Energy Technology Data Exchange (ETDEWEB)

    Flores, J.C.; Cabrera, B.E.; Calderon, T.; Munoz, P.E.; Adem, E.; Hernandez, A.J.; Boldu, J.L.; Ovalle M.P.; Murrieta, S.H. E-mail: murrieta@fenix.ifisicacu.unam.mx

    2000-05-15

    Electron spin resonance (ESR) studies of the free radicals induced in gamma- or electron-irradiated sugar crystals were performed. The number of radicals increases linearly, pointing out that this material can be used as a dosimeter. The optical absorption studies show the presence of several distinctive bands in the infrared and UV region, whose intensity changes with the irradiation dose. An interpretation of these results in terms of the formation of free radicals and possible crosslinking along the sugar molecular chains is presented.

  13. Electrically active defects at AlN/Si interface studied by DLTS and ESR

    Energy Technology Data Exchange (ETDEWEB)

    Simoen, Eddy; Van Hove, Marleen; Leys, Maarten; Favia, Paola; Bender, Hugo [Imec, Kapeldreef 75, 3001 Leuven (Belgium); Borghs, Gustaaf [Imec, Kapeldreef 75, 3001 Leuven (Belgium); Department of Physics, University of Leuven, Celestijnenlaan 200D, 3001 Leuven (Belgium); Nguyen, Ahn Puc Duc; Stesmans, Andre [Department of Physics, University of Leuven, Celestijnenlaan 200D, 3001 Leuven (Belgium); Visalli, Domenica

    2012-10-15

    A combined deep-level transient spectroscopy (DLTS) and electron spin resonance (ESR) study is performed to identify the electrically active defects at the AlN/Si (111) interface. It is shown that the density of deep-level states not only depends on the thermal budget of the epitaxial deposition but also on the strain built up during growth and upon cooling to room temperature (RT). At the same time, diffusion of Si into the 200 nm thick AlN layer produces a thin crystalline Si{sub 3}N{sub 4} interfacial layer, identified by transmission electron microscopy (TEM). This gives rise to so-called dangling bond P{sub b} centres at the Si{sub 3}N{sub 4}/Si (111) interface. In addition, a strong evolution of the electrically active defect clusters in the silicon substrate close to the interface has been observed both in DLTS and ESR. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. ESR study of the direct radiolysis of DNA, DNA-histones and DNA-intercalators complexes

    Science.gov (United States)

    Faucitano, A.; Buttafava, A.; Martinotti, F.; Pedraly-Noy, G.

    The nature of the radicals contributing to the room temperature spectrum of irradiated "dry" DNA, with special reference to the central structure, is discussed, and the thesis of their ionic origin tested by irradiation experiments with intercalators. The mechanism of spin transfer protein→DNA has been investigated through a comparative ESR study on the DNA-histones complex, the structureless random molecular mixture of the DNA-histones and the neat components. The yield of spin transfer is enhanced in the random mixture, presumably because of the greater efficiency of molecular contacts. Evidence of the scavenging of electrons by the thymine and cytosine bases, as a key mechanism for the spin transfer, has been obtained.

  15. Free radicals and SOD activity of jaw cyst. Direct measurement and spin trapping studies by ESR.

    Science.gov (United States)

    Kimura, H; Simodate, H; Suzuki, M

    1990-01-01

    Free radicals produced in the fluid of jaw cysts were directly measured at room temperature using ESR. With these samples, SOD activity of the cyst fluid was measured by the ESR spin trapping method with DMPO as a trapping agent. Freeze-dried samples of cyst fluid showed a broad ESR signal at g = 2.005. Relative signal intensity of samples from jaw cysts with inflammation was higher than jaw cysts without inflammation. SOD activity of cyst fluid with high viscosity showed higher values than that of cyst fluid with low viscosity. We suggest that free radicals produced in jaw cyst damage tissues while higher SOD activity of cyst fluid play a role in a self-defense mechanism against free radicals.

  16. ESR Studies on the Micellization Behaviors of a Series of Novel Asymmetric Gemini Surfactants

    Institute of Scientific and Technical Information of China (English)

    WU,Yi-Tian(吴一天); WANG,Jin-Ben(王金本); LIU,Ming-Hua(刘鸣华); LIANG,Wen-Ping(梁文平)

    2002-01-01

    The synthesis of a new series of asymmetric cationic gemini surfactant and the investigation of their miccellization behaviors by electronic spin resonance (ESR) as well as the surface tension measurements were reported. 4-Oxo-2,2,6,6-tetramethylpiperidine-N-oxyl (4-oxo-TEMPO) is used as the spin probe. The surfactants studied have the general formula [CnH2n+1 N+(CH3)2C6H12N+(CH3)2Cm H2m,1]Br2- , referred to as dimeric n-6-m surfactants, in which n and m are the numbers of carbon atoms in the asymmetric side alkyl chains. From the experimental data, rotational correlation time τc, surface tension and critical micelle concentration (cac) ,values, the physical properties of these new surfactants have preliminarily been evaluated. It is shown that this new series of asymmetric gmini surfactants has interesting micellization behaviors, and they are very different in aggregating tendency from their asymmetric analogues.

  17. ESR dosimetry study for the residents of Kazakhstan exposed to radioactive fallout on 24, August 1956

    Energy Technology Data Exchange (ETDEWEB)

    Zhumadilov, K., E-mail: kassym@hiroshima-u.ac.jp [Research Institute for Radiation Biology and Medicine, Hiroshima University, Kasumi 1-2-3, Minami-ku, Hiroshima 734-8553 (Japan); Ivannikov, A. [Medical Radiological Research Center, Obninsk 249036 (Russian Federation); Zharlyganova, D. [Astana Medical University, 51a, Beibitshilik str., Astana 010000 (Kazakhstan); Zhumadilov, Zh. [Nazarbayev University, Life Sciences Center, D. Kunayev str., Astana 010000 (Kazakhstan); Stepanenko, V. [Medical Radiological Research Center, Obninsk 249036 (Russian Federation); Abralina, Sh.; Sadvokasova, L. [Semey State Medical Academy, Semey 071400, Abay str. 103 (Kazakhstan); Zhumadilova, A. [Astana Medical University, 51a, Beibitshilik str., Astana 010000 (Kazakhstan); Toyoda, S. [Department of Applied Physics, Faculty of Science, Okayama University of Science, Okayama 700-0005 (Japan); Endo, S. [Department of Quantum Energy Applications, Graduated School of Engineering, Hiroshima University, 1-4-1 Kagamiyama, Higashi-Hiroshima 739-8527 (Japan); Okamoto, T. [Department of Molecular Oral Medicine and Maxillofacial Surgery, Division of Frontier Medical Science, Graduate School of Biomedical Sciences, Hiroshima University, Hiroshima 734-8553 (Japan); Hoshi, M. [Research Institute for Radiation Biology and Medicine, Hiroshima University, Kasumi 1-2-3, Minami-ku, Hiroshima 734-8553 (Japan)

    2011-09-15

    The method of electron spin resonance (ESR) dosimetry has been applied to human tooth enamel in order to obtain individual absorbed doses from the population of settlements within the vicinity of the central axis of the radioactive fallout trace from the contaminating nuclear surface test of 24, August 1956. Most of the settlements (Glubokoe, Tavriya, and Gagarino) are located near Ust-Kamenogorsk city, in Kazakhstan (about 400 km to the east from the epicenter of the explosion at the Semipalatinsk Nuclear Test Site (SNTS)). It was found that the excess doses obtained after the subtraction of natural background radiation ranged up to about 120 mGy for the residents of Ust-Kamenogorsk city, whose tooth enamel was formed before 1956. For the residents of Gagarino, excess doses do not exceed 47 mGy for all ages. For the residents of Tavriya, the maximum of excess dose was determined as 54 mGy and for the residents of Glubokoe, the maximum excess dose was about 83 mGy. For the population of the Shemonaikha settlements (about 70 km from the centerline of the radioactive fallout trace) the highest excess dose is 110 mGy. Also for this study, Znamenka village (about 130 km from the epicenter) was included. The Kokpekty settlement was chosen as a control and not subjected to any radioactive contamination and is located 400 km to the Southeast from SNTS.

  18. Photoinduced Electron Transfer (PET) between C60 and Amines in Micelle Solution - A Kinetic ESR Study

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    As indicated by kinetic ESR measurements, the key factor to affect electron recombination in the process of PET between C60 and amines is the space between donor and C60. To increase solubility of C60 in water, it was incorporated into micelle of surfactants.

  19. Quantification of Randomly-methylated-{beta}-cyclodextrin effect on liposome: An ESR study

    Energy Technology Data Exchange (ETDEWEB)

    Grammenos, A., E-mail: A.Grammenos@ulg.ac.be [Laboratory of Biomedical Spectroscopy, Department of Physics, Institute of Physics, B5, University of Liege, Sart-Tilman, B-4000 Liege (Belgium); Bahri, M.A.; Guelluy, P.H. [Laboratory of Biomedical Spectroscopy, Department of Physics, Institute of Physics, B5, University of Liege, Sart-Tilman, B-4000 Liege (Belgium); Piel, G. [Laboratory of Pharmaceutical Technology, Department of Pharmacy, CHU, B36, University of Liege, 1 Av. de l' Hopital, B-4000 Liege (Belgium); Hoebeke, M. [Laboratory of Biomedical Spectroscopy, Department of Physics, Institute of Physics, B5, University of Liege, Sart-Tilman, B-4000 Liege (Belgium)

    2009-12-04

    In the present work, the effect of Randomly-methylated-{beta}-cyclodextrin (Rameb) on the microviscosity of dimyristoyl-L-{alpha} phosphatidylcholine (DMPC) bilayer was investigated using the electron spin resonance (ESR) technique. The ability of Rameb to extract membrane cholesterol was demonstrated. For the first time, the percentage of cholesterol extracted by Rameb from cholesterol doped DMPC bilayer was monitored and quantified throughout a wide Rameb concentration range. The effect of cholesterol on the inner part of the membrane was also investigated using 16-doxyl stearic acid spin label (16-DSA). 16-DSA seems to explore two different membrane domains and report their respective microviscosities. ESR experiments also establish that the presence of 30% of cholesterol in DMPC liposomes suppresses the jump in membrane fluidity at lipids phase-transition temperature (23.9 {sup o}C).

  20. ESR study on radiation-induced radicals in carboxymethyl cellulose aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Saiki, Seiichi, E-mail: saiki.seiichi@jaea.go.j [Quantum Beam Science Directorate, Japan Atomic Energy Agency, 1233 Watanuki, Takasaki, Gunma 370-1292 (Japan); Nagasawa, Naotsugu; Hiroki, Akihiro; Morishita, Norio; Tamada, Masao [Quantum Beam Science Directorate, Japan Atomic Energy Agency, 1233 Watanuki, Takasaki, Gunma 370-1292 (Japan); Kudo, Hisaaki [Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Katsumura, Yosuke [Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Advanced Science Research Center, Japan Atomic Energy Agency, 2-4 Shirakata-Shirane, Tokai, Naka, Ibaraki 319-1195 (Japan)

    2011-02-15

    Carboxymethyl cellulose (CMC) at highly concentrated aqueous solution undergoes radiation crosslinking reaction by ionizing irradiation. It is assumed that this radiation-induced reaction takes place by the indirect effect of water radiolysis, especially through the OH radical. However, the reaction mechanism is not well known. In this topic, ESR spectra of CMC radicals formed by reaction with OH radicals were measured directly in aqueous solution to identify the initially formed radical site. The ESR spectra were observed successfully and were interpreted as the overlapping of two spectra; a TripletxDoublet spectrum and a Doublet spectrum. Each spectrum was assigned to radicals located on carboxymethyl groups linked to C6 and C2/C3.

  1. ESR study on radiation-induced radicals in carboxymethyl cellulose aqueous solution

    Science.gov (United States)

    Saiki, Seiichi; Nagasawa, Naotsugu; Hiroki, Akihiro; Morishita, Norio; Tamada, Masao; Kudo, Hisaaki; Katsumura, Yosuke

    2011-02-01

    Carboxymethyl cellulose (CMC) at highly concentrated aqueous solution undergoes radiation crosslinking reaction by ionizing irradiation. It is assumed that this radiation-induced reaction takes place by the indirect effect of water radiolysis, especially through the OH radical. However, the reaction mechanism is not well known. In this topic, ESR spectra of CMC radicals formed by reaction with OH radicals were measured directly in aqueous solution to identify the initially formed radical site. The ESR spectra were observed successfully and were interpreted as the overlapping of two spectra; a Triplet×Doublet spectrum and a Doublet spectrum. Each spectrum was assigned to radicals located on carboxymethyl groups linked to C6 and C2/C3.

  2. Regeneration of phenolic antioxidants from phenoxyl radicals: An ESR and electrochemical study of antioxidant hierarchy

    DEFF Research Database (Denmark)

    Jørgensen, Lars V.; Madsen, Helle L.; Thomsen, Marianne K.

    1999-01-01

    -trapping by 5,5-dimethyl-1-pyrroline-N-oxide (DMPO). Simulations of the ESR spectrum based on estimated coupling constants of the spin-trapped quercetin radical, confirmed that this antioxidant radical is oxygen-centered. The complex mixture of radicals, quinoid intermediates and stable two-electron oxidation...... products, were for each antioxidant allowed to react with each of the four other antioxidants, and the progression of reaction followed by ESR after addition of DMPO, and the product solution further analysed by HPLC. All-rac-alpha-tocopherol was found to be most efficient in regenerating each of the other...... antioxidants from their oxidation products with a regeneration index (defined as moles regenerated of the oxidised phenolic antioxidant divided with moles of all-rac-alpha-tucopherol consumed) of 0.90 +/- 0.16 for quercetin, 0.48 +/- 0.11 for (+)-catechin, 0.48 +/- 0.06 for (+/-)-taxifolin and 0.50 +/- 0...

  3. Study of one-dimensional electron hopping and its effects on ESR line shape

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Jau [Argonne National Lab., IL (United States); Dikshit, S.N. [Univ. of Chicago, IL (United States). Dept. of Chemistry; Norris, J.R. [Argonne National Lab., IL (United States)]|[Univ. of Chicago, IL (United States). Dept. of Chemistry

    1997-08-01

    Random hopping processes between discrete sites along a finite open chain or around a closed finite loop are examined. Closed form formulae are prescribed for the dependence of the ESR (electron spin resonance) line shape on the chain length and hopping rate. Significant differences between the closed loop and open chain are demonstrated. Deviation at short time from the results of diffusion in a continuum is presented.

  4. Investigations of the corrosion fatigue behaviour at a super pure martensitic stainless steel X5CrNiCuNb 17 4 PH in comparison to the soft martensitic stainless steel X4CrNiMo 16 5 1 ESR in chloride containing aqueous media. Pt. 2. Corrosion fatigue tests and crack initiation mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt-Thomas, K.G.; Happle, T.; Wunderlich, R.

    1989-07-01

    The following report concerns the study of the corrosion fatigue behaviour of the soft martensitic steel X4CrNiMo 16 5 1 ESR and the precipitation hardened X5CrNiCuNb 17 4 PH in sodium solution in the temperature range between 20/sup 0/ and 150/sup 0/C and the determination of their general corrosion properties and the mechanism of crack propagation. Their corrosion fatigue limits were compared with each other. A comparison was also made between an electro-slag-remelted soft martensitic steel and a charge without an ESR aftertreatment. Microfractographical fracture and crack path investigation were carried out for interpretation of the experimental results. It was observed that in both super pure steels (soft martensitic and precipitation hardened) the oxidic inclusions are not responsible for the crack initiation, as it was found in the non ESR treated steels. In the 17-4 PH steel copper containing inclusions in the crack initiation areas were observed. In concentrated sodium solution pitting corrosion was found at both steels. (orig.).

  5. Production of superoxide in chloroplast thylakoid membranes ESR study with cyclic hydroxylamines of different lipophilicity.

    Science.gov (United States)

    Kozuleva, Marina; Klenina, Irina; Proskuryakov, Ivan; Kirilyuk, Igor; Ivanov, Boris

    2011-04-06

    Accumulation of nitroxide radicals, DCP· or TMT·, under illumination of a thylakoid suspension containing either hydrophilic, DCP-H, or lipophilic, TMT-H, cyclic hydroxylamines that have high rate constants of the reaction with superoxide radicals, was measured using ESR. A slower accumulation of TMT· in contrast with DCP· accumulation was explained by re-reduction of TMT· by the carriers of the photosynthetic electron transport chain within the membrane. Superoxide dismutase suppressed TMT· accumulation to a lesser extent than DCP· accumulation. The data are interpreted as evidencing the production of intramembrane superoxide in thylakoids.

  6. ESR1/SYNE1 polymorphism and invasive epithelial ovarian cancer risk: an Ovarian Cancer Association Consortium study

    DEFF Research Database (Denmark)

    Doherty, Jennifer A; Rossing, Mary Anne; Cushing-Haugen, Kara L

    2010-01-01

    We genotyped 13 single nucleotide polymorphisms (SNPs) in the estrogen receptor alpha gene (ESR1) region in three population-based case-control studies of epithelial ovarian cancer conducted in the United States, comprising a total of 1,128 and 1,866 non-Hispanic white invasive cases and controls...... was not associated with risk. These data provide suggestive evidence that the rs2295190 T allele, or another allele in linkage disequilibrium with it, may be associated with increased risk of invasive ovarian cancer....

  7. A study of optical and ESR radiation-induced absorptions in TeO2 single crystals

    Science.gov (United States)

    Kappers, L. A.; Gilliam, O. R.; Bartram, R. H.; Földv&Ári, I.; Watterich, A.

    Gamma-ray and 1.5-MeV electron irradiations are employed in the temperature range 25-175°C to produce radiation effects in undoped paratellurite (α-TeO2) single crystals. Optical absorption and ESR techniques are used to study the growth and annealing of point defects, and spectroscopic observations by these two methods are compared. Pulseannealing experiments are reported over the range 100-500°C. The TeO2 crystal shows much more susceptibility to radiation damage at the higher irradiation temperatures.

  8. Photochemical synthesis of simple organic free radicals on simulated planetary surfaces - An ESR study

    Science.gov (United States)

    Tseng, S.-S.; Chang, S.

    1975-01-01

    Electron spin resonance (ESR) spectroscopy provided evidence for formation of hydroxyl radicals during ultraviolet photolysis (254 nm) at -170 C of H2O adsorbed on silica gel or of silica gel alone. The carboxyl radical was observed when CO or CO2 or a mixture of CO and CO2 adsorbed on silica gel at -170 C was irradiated. The ESR signals of these radicals slowly disappeared when the irradiated samples were warmed to room temperature. However, reirradiation of CO or CO2, or the mixture CO and CO2 on silica gel at room temperature then produced a new species, the carbon dioxide anion radical, which slowly decayed and was identical with that produced by direct photolysis of formic acid adsorbed on silica gel. The primary photochemical process may involve formation of hydrogen and hydroxyl radicals. Subsequent reactions of these radicals with adsorbed CO or CO2 or both yield carboxyl radicals, CO2H, the precursors of formic acid. These results confirm the formation of formic acid under simulated Martian conditions and provide a mechanistic basis for gauging the potential importance of gas-solid photochemistry for chemical evolution on other extraterrestrial bodies, on the primitive earth, and on dust grains in the interstellar medium.

  9. ESR dosimetry: achievements and challenges

    Energy Technology Data Exchange (ETDEWEB)

    Baffa, O., E-mail: baffa@usp.br [Universidade de Sao Paulo, Departamento de Fisica, Av. Bandeirantes 3900, 14040-901 Ribeirao Preto, Sao Paulo (Brazil)

    2015-10-15

    Full text: Electron Spin Resonance (ESR), also known as Electron Paramagnetic Resonance (EPR) and more recently as Electron Magnetic Resonance (Emr), is a spectroscopy technique able to detect unpaired electrons such as those created by the interaction ionizing radiation with matter. When the unpaired electrons created by ionizing radiation are stable over some reasonable time, ESR can be used to measure the radiation dose deposited in the material under study. In principle, any insulating material that satisfies this requisite can be used as a dosimeter. ESR has been used in retrospective dosimetry in case of radiological accidents using natural constituents of human body such as teeth, bones and nails as well as fortuitous materials as sugar, sweeteners and plastics. When using teeth the typical detected dose is 0.5 Gy for, for X-Band spectrometers (9 GHz) and even lower doses if higher frequency spectrometers are used. Clinical dosimetry is another area of potential use of this dosimetric modality. In this application the amino acid alanine has been proposed and being used. Alanine dosimeters are very easy to prepare and require no complicated treatments for use. Alanine/ESR dosimetry satisfies many of the required properties for clinical applications such as water equivalent composition, independence of response for the energy range used in therapy and high precision. Other organic materials such as ammonium tartrate are being investigated to increase the sensitivity of ESR for clinical applications. Finally, industrial applications can also benefit from this dosimetry. The challenges to expand applications, the number of users and research groups of ESR dosimetry will be discussed. (Author)

  10. ESR study of free radicals in UHMW-PE fiber irradiated by gamma rays

    Energy Technology Data Exchange (ETDEWEB)

    Zhao Yanning [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800 (China); College of Chemistry, Jilin Normal University, Jilin 136000 (China); Graduate University of the Chinese Academy of Sciences, Beijing 100049 (China); Wang Mouhua [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800 (China); Tang Zhongfeng [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800 (China); Graduate University of the Chinese Academy of Sciences, Beijing 100049 (China); Wu Guozhong, E-mail: wuguozhong@sinap.ac.c [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800 (China)

    2010-04-15

    ESR spectra of the trapped radicals in an ultra-high molecular weight polyethylene (UHMW-PE) fiber irradiated by gamma rays showed well-resolved hyperfine splitting at room temperature since the c-axis of the crystallites is aligned with the fiber direction and the radicals are trapped in crystallites. The alkyl radical (-CH{sub 2}-{sup c}entre dotCH-CH{sub 2}-) was the major product after irradiation in vacuum and in air at room temperature. Some of the alkyl radicals converted to allyl radicals (-CH{sub 2}-{sup c}entre dotCH-CH=CH-) and polyenyl radicals (-CH{sub 2}-{sup c}entre dotCH-(CH=CH){sub n}-CH{sub 2}-) during storage in vacuum. Upon storage in air atmosphere, the alkyl radicals decayed by reaction with oxygen. Of particular interest is the very slow decay rate of the alkyl radical trapped in UHMW-PE fiber, the half-life is 26 days in vacuum, and 13 days in air at room temperature, which is about 1/30 and 1/100 of that reported for high density polyethylene (HDPE), respectively. The extremely long lifetime of the alkyl radical is supposed to be caused by the large size of crystallites in UHMW-PE fiber. The rate of radical decay was accelerated by annealing at elevated temperature.

  11. An ESR study of the gamma radiolysis of aromatic polyesters containing isomeric naphthalene links

    Science.gov (United States)

    Hill, David J. T.; Choi, Bong-Ku; Ahn, Hung-Kun; Choi, E.-Joon

    2001-07-01

    Six polyesters were synthesised from 4,4'-oxy-bis(benzoyl chloride) and 1,4-, 1,5-, 1,6-, 2,3-, 2,6-, and 2,7-naphthalenediol isomers. The structures of the polyesters were characterised by means of IR, inherent viscosities in tetrachloroethane (TCE), solutions at 303 K and thermal analysis. The glass transition temperatures were in the range of 425-494 K by DSC thermal analysis. All of the polyesters were irradiated in an AECL Gammacell 220 unit at a dose rate of approximately 6.7 kGy/h to doses in the range of 0-15 kGy at 77 and 300 K. ESR spectroscopy was used to examine the radicals formed during radiolysis and to measure their yields. The G-values for radical formation in the polyesters were found to be in the range 0.18-1.41 at 77 K and 0.19-0.78 at 300 K. At 77 K, up to 15% of the radicals formed on radiolysis were found to be photo-bleachable anion radicals. Annealing experiments were carried out in order to identify the neutral radicals, which were assigned to naphthyl- or phenyl- and phenoxyl-type radicals.

  12. ESR dosimetry using inorganic materials: a case study of Li{sub 2}CO{sub 3} and CaSO{sub 4}:Dy as prospective dosimeters

    Energy Technology Data Exchange (ETDEWEB)

    Murali, S. E-mail: rssdrhcs@magnum.barc.ernet.in; Natarajan, V.; Venkataramani, R.; Pushparaja; Sastry, M.D

    2001-08-01

    The CO{sub 2}{sup -} radical ion, detected by ESR technique in bones and teeth enamel, was proved to be invaluable in high level and retrospective dosimetry. In these matrices, impurity carbonate (at phosphate sites) was the precursor to CO{sub 2}{sup -} With a view to investigate the possibility of using inorganic materials such as lithium carbonate as ESR dosimeters, studies were carried out on gamma-irradiated Li{sub 2}CO{sub 3} . The intensity of radiation-induced ESR signals of Li{sub 2}CO{sub 3} at g=2.0036 (CO{sub 3}{sup -}) and g=2.0006 (CO{sub 2}{sup -}) was followed as a function of gamma dose in the low dose range of 1- 1350 Gy. It was observed that the intensity of the ESR signal at g=2.0036 (CO{sub 3}{sup -}) was in a linear relation with the radiation dose in the dose range 10- 800 Gy and the signal at g=2.0006 (CO{sub 2}{sup -}) showed linear response in the dose range 5- 800 Gy. The lowest dose that could be detected in the present studies using the signal of CO{sub 2}{sup -} in Li{sub 2}CO{sub 3} powder samples ({approx}50 mg) is 3.2 Gy. ESR studies were also carried out on the widely used TL dosimetric material CaSO{sub 4} : Dy and in pure CaSO{sub 4} after gamma irradiation. The TL materials were used in powder as well as pellet forms. The linearity of ESR response with dose for powder and pellet forms of CaSO{sub 4} : Dy was also studied using the signals at g=2.0030 (SO{sub 3}{sup -}) and at g=2.0139 (SO{sub 4}{sup -}). It was observed that the range of linearity of dose response extended between 20 and 1200 Gy, for SO{sub 3}{sup -} signals. The results of dosimetric study indicate that the ESR-Li{sub 2}CO{sub 3} system could be used in dosimetric applications in radiotherapy. However, for the actual applications further advancement is needed to lower the detection limit. The TL phosphor, CaSO{sub 4}:Dy in powder and pellet forms, could be used as ESR dosimeter in the dose range 20-600 Gy.

  13. Electron spin resonance (ESR) study of VO{sup 2+} doped germanium dioxide synthesized via the sol-gel process

    Energy Technology Data Exchange (ETDEWEB)

    Mendez-Vivar, J.; Arroyo, R. [Univ. Autonoma Metropolitana-Iztapalapa (Mexico). Dept. de Quimica

    1994-12-31

    VOSO{sub 4}{center_dot}3H{sub 2}O was used as doping agent to prepare GeO{sub 2} xerogels, via the sol-gel process. Samples were analyzed by Thermal Gravimetric Analysis (TGA), Differential Thermal Analysis, (DTA), Diffuse reflectance (UV-Vis) spectroscopy and electron spin resonance (ESR). Study of thermally treated samples was performed. VO{sup 2+} were found in V{sub 2}O{sub 5} at 350 C. VO{sup 2+} ions were incorporated in the GeO{sub 2} network after thermal treatment at 700 C. From the results the authors propose that VO{sup 2+} acts as crystal former in these samples.

  14. Photochemical synthesis of simple organic free radicals on simulated planteary surfaces-an ESR study.

    Science.gov (United States)

    Tseng, S S; Chang, S

    1975-01-01

    Electron spin resonance spectroscopy provided evidence for formation of hydroxyl radicals during ultraviolet photolysis (254 nm) at -170C of H2O adsorbed on silica gel or of silica gel alone. The carboxyl radical was observed when CO or CO2 or a mixture of CO and CO2 absorbed on silica gel at -170C was irradiated. The ESR signals of these radicals slowly disappeared when the irradiated samples were warmed to room temperature. However, re-irradiation of CO or CO2, or the mixture CO and CO2 on silica gel at room temperature then produced a new species, the carbon dioxide anion radical, which slowly decayed and which was identical with that produced by direct photolysis of formic acid adsorbed on silica gel. The primary photochemical process may involve formation of hydrogen and hydroxyl radicals by means of (1) photodissociation of H2O physically adsorbed on the silica gel, or (2) absorption of the excitation energy by the silica gel surface with subsequent cleavage of the silanol bonds, or (3) dissociation of H2O molecules throug photosensitization by the surfaces or a combination of (1) to (3). Subsequent reactions of these radicals with adsorbed CO or CO2 or both yield carboxyl radicals, CO2H, the precsursors of formic acid. Our results confirm the formation of formic acid under simulated Martian conditions and provide a mechanistic basis for gauging the potential importance of gas-solid photochemistry for chemical evolution on other extraterrestrial bodies, on the primitive earth and on dust grains in the interstellar medium.

  15. Synthesis and ESR studies of 2'-deoxyuridines tethered with alkynyl, rod-like linkages#

    OpenAIRE

    Sniady, Adam; Sevilla, Michael D.; Meneni, Srinivasarao; Lis, Tadeusz; Szafert, Slawomir; Khanduri, Deepthi; Finke, John M.; Dembinski, Roman

    2009-01-01

    Sonogashira coupling of diacetyl 5-ethynyl-2'-deoxyuridine with diacetyl 5-iodo-2'-deoxyuridine gave the acylated ethynediyl-linked 2'-deoxyuridine dimer (3b) (63%) that was deprotected with ammonia/methanol to ethynediyl-linked 2'-deoxyuridines (3a) (79%). Reaction of 5-ethynyl-2'-deoxyuridine (1a) with 5-iodo-2'-deoxyuridine gave the furopyrimidine linked to 2'-deoxyuridine (78%). Catalytic oxidative coupling of 1a (O2, CuI, Pd/C, DMF) gave the butadiynediyl-linked 2'-deoxyuridines (4) (84%...

  16. Magnetic, electronic and electrochemical studies of mono and binuclear Cu(II) complexes using novel macrocyclic ligands.

    Science.gov (United States)

    Gupta, Nidhi; Gupta, Rachna; Chandra, Sulekh; Bawa, S S

    2005-04-01

    A series of new mono and binuclear copper (II) complexes [Cul]X(2)and [Cu(2)lX(2)] where 1 = L(1), L(2) and L(3) are the macrocyclic ligands. In mononuclear complexes the geometry of Cu(II) ion is distorted squareplanar and in binuclear complexes the geometry of Cu(II) is tetragonal. The synthesized complexes were characterized by spectroscopic (IR,UV-vis and ESR) techniques. Electrochemical studies of the complexes reveals that all the mononuclear Cu(II) complexes show a single quasireversible one-electron transfer reduction wave (E(pc) = -0.76 to -0.84V) and the binuclear complexes show two quasireversible one electron transfer reduction waves (E(pc)(1) = -0.86 to -1.01V, E(pc)(2) = -1.11 to -1.43V) in cathodic region. The ESR spectra of mononuclear complexes show four lines with nuclear hyperfine splittings with the observed g(11) values in the ranges 2.20-2.28, g( perpendicular) = 2.01-2.06 and A(11) = 125-273. The binuclear complexes show a broad ESR spectra with g = 2.10-2.11. The room temperature magnetic moment values for the mononuclear complexes are in the range [mu(eff) = 1.70-1.72BM] and for the binuclear complexes the range is [mu(eff) = 1.46-1.59BM].

  17. Hepatic reduction of carbamoyl-PROXYL in ferric nitrilotriacetate induced iron overloaded mice: an in vivo ESR study.

    Science.gov (United States)

    Morales, Noppawan Phumala; Yamaguchi, Yumiko; Murakami, Kimiyo; Kosem, Nuttavut; Utsumi, Hideo

    2012-01-01

    Reduction of a nitroxyl radical, carbamoyl-PROXYL in association of free radical production and hepatic glutathione (GSH) was investigated in iron overloaded mice using an in vivo L-band electron spin resonance (ESR) spectrometer. Significant increases in hepatic iron, lipid peroxidation and decrease in hepatic GSH were observed in mice intraperitoneally (i.p.) administrated with ferric nitrilotriacetate (Fe(III)-NTA, a total 45 µmol/mouse over a period of 3 weeks). Free radical production in iron overloaded mice was evidenced by significantly enhanced rate constant of ESR signal decay of carbamoyl-PROXYL, which was slightly reduced by treatment with iron chelator, deferoxamine. Moreover, the rate constant of ESR signal decay was negatively correlated with hepatic GSH level (r=-0.586, p80%) in mice through daily i.p. injection and drinking water supplementation of L-buthionine-[S,R]-sulfoximine (BSO) significantly retarded ESR signal decay, while there were no changes in serum aspartate aminotransferase and liver thiobarbituric acid-reactive substances levels. In conclusion, GSH plays two distinguish roles on ESR signal decay of carbamoyl-PROXYL, as an antioxidant and as a reducing agent, dependently on its concentration. Therefore, it should be taken into account in the interpretation of free radical production in each specific experimental setting.

  18. ESR powder line shape calculations

    Energy Technology Data Exchange (ETDEWEB)

    Vitko, J. Jr.; Huddleston, R.E.

    1976-05-01

    A program has been developed for computing the ESR spectrum of a collection of randomly oriented spins subject only to an electronic Zeeman interaction and having a Lorentzian single crystal line shape. Other single crystal line shapes, including numerical solutions of the Bloch equations, can be accommodated with minor modifications. The program differs in several features from those existing elsewhere, thus enabling one to study saturation effects, over-modulation effects, both absorptive and dispersive signals, and second and higher order derivative signals.

  19. Formation of Reactive Sulfite-Derived Free Radicals by the Activation of Human Neutrophils: An ESR Study

    Science.gov (United States)

    Ranguelova, Kalina; Rice, Annette B.; Khajo, Abdelahad; Triquigneaux, Mathilde; Garantziotis, Stavros; Magliozzo, Richard S.; Mason, Ronald P.

    2012-01-01

    The objective of the present study is to determine the effect of (bi)sulfite (hydrated sulfur dioxide) on human neutrophils and the ability of these immune cells to produce reactive free radicals due to (bi)sulfite oxidation. Myeloperoxidase (MPO) is an abundant heme protein in neutrophils that catalyzes the formation of cytotoxic oxidants implicated in asthma and inflammatory disorders. In the present study sulfite (•SO3−) and sulfate (SO4•−) anion radicals are characterized with the ESR spin-trapping technique using 5,5-dimethyl-1-pyrroline N-oxide (DMPO) in the reaction of (bi)sulfite oxidation by human MPO and human neutrophils via sulfite radical chain reaction chemistry. After treatment with (bi)sulfite, PMA-stimulated neutrophils produced DMPO-sulfite anion radical, -superoxide, and -hydroxyl radical adducts. The latter adduct probably resulted, in part, from the conversion of DMPO-sulfate to DMPO-hydroxyl radical adduct via a nucleophilic substitution reaction of the radical adduct. This anion radical (SO4•−) is highly reactive and, presumably, can oxidize target proteins to protein radicals, thereby initiating protein oxidation. Therefore, we propose that the potential toxicity of (bi)sulfite during pulmonary inflammation or lung-associated diseases such as asthma may be related to free radical formation. PMID:22326772

  20. Study on the Effect of ESR and FSH β Genes on Litter Size in Local Northeast Three Pig Breeds

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The method of PCR-RFLP was used to analyze the effects of ESR and FSH β genotypes on the litter size,especially the corresponding changes with the difference of genotype distributions in the Min,Sanjiang and Junmu I pigs.The results show that the ESR and FSH β genes are the major genes of litter size;the heterozygous genotype for ESR as well as for FSH β locus has a more litter size than others.However,the combined genotype ABDD means a more litter size than other genotypes,the frequencies of the heterozygous genotypes in Sanjiang and Junmu I are lower than in Min which maybe one of the most important reasons for the little litter sizes of those two breeds.

  1. ESR study of atomic hydrogen and tritium in solid T$_{2}$ and T$_{2}$:H$_{2}$ matrices below 1K

    CERN Document Server

    Sheludiakov, S; Järvinen, J; Vainio, O; Lehtonen, L; Zvezdov, D; Vasiliev, S; Lee, D M; Khmelenko, V V

    2016-01-01

    We report on the first ESR study of atomic hydrogen and tritium stabilized in a solid T$_{2}$ and T$_{2}$:H$_{2}$ matrices down to 70$\\,$mK. The concentrations of T atoms in pure T$_{2}$ approached $2\\times10^{20}$cm$^{-3}$ and record-high concentrations of H atoms $\\sim1\\times10^{20}$cm$^{-3}$ were reached in T$_{2}$:H$_{2}$ solid mixtures where a fraction of T atoms became converted into H due to the isotopic exchange reaction T+H$_2\\rightarrow$TH+H. The maximum concentrations of unpaired T and H atoms was limited by their recombination which becomes enforced by efficient atomic diffusion due to a presence of a large number of vacancies and phonons generated in the matrices by $\\beta$-particles. Recombination also appeared in an explosive manner both being stimulated and spontaneously in thick films where sample cooling was insufficient. We suggest that the main mechanism for H and T migration is physical diffusion related to tunneling or hopping to vacant sites in contrast to isotopic chemical reactions wh...

  2. Negative effect of Ni on PtHY in n-pentane isomerization evidenced by IR and ESR studies

    Institute of Scientific and Technical Information of China (English)

    Muhammad Afif Ab Aziz; Nur Hidayatul Nazirah Kamarudin; Herma Dina Setiabudi; Halimaton Hamdan; Aishah Abdul Jalil; Sugeng Triwahyono

    2012-01-01

    Ni/PtHY with different Ni loadings was prepared by impregnating HY with hexachloroplatinic acid solution and Ni2+/N,N-dimethylformamide solution.An increase in the Ni loading decreased the crystallinity,specific surface area and meso-micropores of the catalysts.Ni interacted with hydroxyl groups to produce IR absorption bands at 3740-3500 cm-1.Increasing Ni loadings resulted in a decrease in the intensities of the broad bands at 3730-3500 cm-1 and the sharp band at 3740 cm-1 with simultaneous development of new absorbance band at 3700 cm-1 that was attributed to (-OH)Ni.The acidity of the samples did not significantly change with Ni loadings up to 1.0 wt%,which indicated that Ni mostly interacts with non-acidic silanol groups (terminal-and structural-defect OH groups).The presence of Ni decreased the activity of PtHY toward the isomerization of n-pentane because of a decrease in the number of active protonic-acid sites that formed from molecular hydrogen.IR and ESR studies confirmed that Pt facilitated the formation of protonic-acid sites from molecular hydrogen,whereas Ni,even when combined with Pt,didn't exhibit such ability.The absence of protonic-acid sites from molecular hydrogen significantly decreased the yield of iso-pentane and markedly increased the cracking products.

  3. ESR investigations on ion beam irradiated polycarbonate

    Energy Technology Data Exchange (ETDEWEB)

    Chipara, M.I. (Institute for Physics and Technology of Materials, P.O. Box MG-7, Magurele, Bucharest, R-76900 (Romania)); Grecu, V.V. (University of Bucharest, Faculty of Physics, P.O. Box MG-11, Magurele, Bucharest, R-76900 (Romania)); Notingher, P.V. (University Politehnica of Bucharest, Electrotechnical Faculty, 313, Splaiul Independentei, Str., 77206 Bucharest (Romania)); Romero, J.R. (Universidad Central de Venezuela, Facultad de Ingineria, Dept. de Fisica Aplicada, Ciudad Universitaria, Chaguaramos, Caracas (Venezuela)); Chipara, M.D. (Research Institute for Electrotechnics, 45-47 Tudor Vladimirescu, Bd., Bucharest, R-79623 (Romania))

    1994-06-01

    Electron spin resonance (ESR) investigations with a polycarbonate solid state nuclear detector, irradiated with oxygen ions, are reported. The nature of the paramagnetic defects induced by irradiation is discussed. The temperature dependence of resonance line parameters is studied. From the experimental data, obtained by ESR, spectroscopy, the activation energy for defect recombination, the average isotropic exchange integral between paramagnetic defects as well as the average distance between defects, are estimated. Correlations with latent tracks structure are discussed. ((orig.))

  4. Direct observation of hexamethylbenzenium radical cations generated during zeolite methanol-to-olefin catalysis: an ESR study.

    Science.gov (United States)

    Kim, Sun Jung; Jang, Hoi-Gu; Lee, Jun Kyu; Min, Hyung-Ki; Hong, Suk Bong; Seo, Gon

    2011-09-07

    The generation of hexamethylbenzenium radical cations as the key reaction intermediate in chabazite-type molecular sieve acids (i.e., H-SAPO-34 and H-SSZ-13) during the methanol-to-olefin process has been directly evidenced by ESR spectroscopy.

  5. Validation of ESR analyzer using Westergren ESR method.

    Science.gov (United States)

    Sikka, Meera; Tandon, Rajesh; Rusia, Usha; Madan, Nishi

    2007-07-01

    Erythrocyte sedimentation rate (ESR) is one of the most frequently ordered laboratory test. ESR analyzers were developed to provide a quick and efficient measure of ESR. We compared the results of ESR obtained by an ESR analyzer with those by the Westergren method in a group of 75 patients Linear regression analysis showed a good correlation between the two results (r = 0.818, p < 0.01). The intra class correlation was 0.82. The analyzer method had the advantages of safety, decreased technician time and improved patient care by providing quick results.

  6. Implications of surface charge and curvature for the binding orientation of Thermomyces lanuginosus lipase on negatively charged or zwitterionic phospholipid vesicles as studied by ESR spectroscopy

    DEFF Research Database (Denmark)

    Hedin, E.M.K.; Høyrup, Lise Pernille Kristine; Patkar, S.A.;

    2005-01-01

    , Y., et al. (2000) Biochemistry 39, 413-423]. The productive-mode binding orientation of TLL at the lipid-water interface of small unilamellar vesicles (SUV) consisting of 1-palmitoyl-2-oleoyi-sn-glycero-3-phosphati-dylglycerol (POPG) was previously determined using electron spin resonance (ESR......) spectroscopy in combination with site-directed spin-labeling [Hedin, E. M. K., et al. (2002) Biochemistry 41, 1418514196]. In our investigation, we have studied the interfacial orientation of TLL when bound to large unilamellar vesicles (LUV) consisting of POPG, and bound to SUV consisting of 1-palmitoyl-2...... fluorescence quenching efficiency between each spin-label positioned on TLL, and the lipid membrane. ESR exposure and fluorescence quenching data show that TILL associates closer to the negatively charged PG surface than the zwitterionic PC surface, and binds to both POPG LUV and POPC SUV predominantly through...

  7. ESR Dating Research of Glacial Tills in Tibetan Plateau

    Science.gov (United States)

    Bi, W.; Yi, C.

    2016-12-01

    In recent years, Quaternary Glacial-chronology has been made remarkable progress in the Tibetan Platean(TP) with the development of several numeric dating techniques, such as cosmogenic nuclides(NC), optically stimulated luminescence(OSL) and 14C. In constrast, the dating of Quaternary glacial tills in 100,000 years even more than million-year has been a challenge, just because the techniques has defects themselves and the sediments were stransformed during the geological and geomorphology progress later. Electron Spin Resonance(ESR) has been becoming one of the key methods of Quaternary Glacial-chronology with wide range of dating, expecially for the sample older than 100,000 years up to million-year scale. The accurate measurement of equivalent dose significantly impacts on accuracy and reliability of ESR dating method. Therefore, the study of the mechanisms of resetting processes is fundamental for accurate and reliable ESR dating. To understand the mechanism and characteristics of quartz ESR signal resetting of different samples, a series of laboratory simulation and field observation studies were carried out, which made lots of important breakthrough. But the research in quartz ESR signal of moraines is less and the test of ESR dating method is still in the qualitative investigation. Therefor, we use ESR dating and study on the mechanism and characteristics of quartz ESR signals in tills in the Tibetan Platean. In the adjust method of Modern, the quartz ESR signals in Modern glacial tills represent residual values which can be adjusted signals in the older glacial tills. As a consequence, ESR dating of the quartz in moraines needs to be explored in deep with building models to adjust ages which are measured by ESR dating. Therefore, ESR dating will become the trusted one of the cross dating methods in Quaternary Glacial-chronology with the adjust mothod improving the accuracy of ESR dating ages.

  8. ESR ST study of hydroxyl radical generation in wet peroxide system catalyzed by heterogeneous ruthenium

    NARCIS (Netherlands)

    Rokhina, E.V.; Golovina, E.A.; As, van H.; Virkutyte, J.

    2009-01-01

    Ru-based catalysts gained popularity because of their applicability for a variety of processes, including carbon monoxide oxidation, wet air catalytic oxidation and wastewater treatment. The focus of a current study was generation of hydroxyl radicals in the wet peroxide system catalyzed by heteroge

  9. Efficiency and rate capability studies of the time-of-flight detector for isochronous mass measurements of stored short-lived nuclei with the FRS-ESR facility

    Energy Technology Data Exchange (ETDEWEB)

    Kuzminchuk-Feuerstein, Natalia; Fabian, Benjamin [II. Physikalisches Institut, Justus-Liebig-Universität, 35392 Gießen (Germany); GSI Helmholtzzentrum für Schwerionenforschung, 64291 Darmstadt (Germany); Diwisch, Marcel [II. Physikalisches Institut, Justus-Liebig-Universität, 35392 Gießen (Germany); Plaß, Wolfgang R., E-mail: Wolfgang.R.Plass@exp2.physik.uni-giessen.de [II. Physikalisches Institut, Justus-Liebig-Universität, 35392 Gießen (Germany); GSI Helmholtzzentrum für Schwerionenforschung, 64291 Darmstadt (Germany); Geissel, Hans; Ayet San Andrés, Samuel; Dickel, Timo; Knöbel, Ronja; Scheidenberger, Christoph [II. Physikalisches Institut, Justus-Liebig-Universität, 35392 Gießen (Germany); GSI Helmholtzzentrum für Schwerionenforschung, 64291 Darmstadt (Germany); Sun, Baohua [II. Physikalisches Institut, Justus-Liebig-Universität, 35392 Gießen (Germany); Weick, Helmut [GSI Helmholtzzentrum für Schwerionenforschung, 64291 Darmstadt (Germany)

    2016-06-11

    A time-of-flight (TOF) detector is used for Isochronous Mass Spectrometry (IMS) with the projectile fragment separator FRS and the heavy-ion storage ring ESR. Exotic nuclei are spatially separated in flight with the FRS at about 70% of the speed of light and are injected into the ESR. The revolution times of the stored ions circulating in the ESR are measured with a thin transmission foil detector. When the ions penetrate the thin detector foil, secondary electrons (SEs) are emitted from the surface and provide the timing information in combination with microchannel plate (MCP) detectors. The isochronous transport of the SEs is performed by perpendicular superimposed electric and magnetic fields. The detection efficiency and the rate capability of the TOF detector have been studied in simulations and experiments. As a result the performance of the TOF detector has been improved substantially: (i) The SE collection efficiency was doubled by use of an optimized set of electric and magnetic field values; now SEs from almost the full area of the foil are transmitted to the MCP detectors. (ii) The rate capability of the TOF detector was improved by a factor of four by the use of MCPs with 5 μm pore size. (iii) With these MCPs and a carbon foil with a reduced thickness of 10 μg/cm{sup 2} the number of recorded revolutions in the ESR has been increased by nearly a factor of 10. The number of recorded revolutions determine the precision of the IMS experiments. Heavy-ion measurements were performed with neon ions at 322 MeV/u and uranium fission fragments at about 370 MeV/u. In addition, measurements with an alpha source were performed in the laboratory with a duplicate of the TOF detector.

  10. Time resolved ESR spectroscopy. ESR pulse radiolysis equipment with microsecond time resolution

    Energy Technology Data Exchange (ETDEWEB)

    Beckert, D.; Mehler, K. (Akademie der Wissenschaften der DDR, Leipzig. Zentralinstitut fuer Isotopen- und Strahlenforschung)

    1983-01-01

    Time resolved ESR experiments allow the study of the chemical kinetics as well as spin dynamics of free radicals in the liquid phase. Starting from the physical and chemical requirements the experimental parameters of a universal time resolved ESR spectrometer are derived. The main components of the ESR pulse radiolysis equipment are described and their technical parameters are discussed. By two experimental examples it is shown that at a time resolution of 0.3 ..mu..s a sensitivity of c/sub min/ = 10/sup -6/ mol dm/sup -3/ for simple radical spectra can be achieved.

  11. Use of meta-analysis to combine candidate gene association studies: application to study the relationship between the ESR PvuII polymorphism and sow litter size

    Directory of Open Access Journals (Sweden)

    Alfonso Leopoldo

    2005-07-01

    Full Text Available Abstract This article investigates the application of meta-analysis on livestock candidate gene effects. The PvuII polymorphism of the ESR gene is used as an example. The association among ESR PvuII alleles with the number of piglets born alive and total born in the first (NBA1, TNB1 and later parities (NBA, TNB is reviewed by conducting a meta-analysis of 15 published studies including 9329 sows. Under a fixed effects model, litter size values were significantly lower in the "AA" genotype groups when compared with "AB" and "BB" homozygotes. Under the random effects model, the results were similar although differences between "AA" and "AB" genotype groups were not clearly significant for NBA and TNB. Nevertheless, the most noticeable result was the high and significant heterogeneity estimated among studies. This heterogeneity could be assigned to error sampling, genotype by environment interaction, linkage or epistasis, as referred to in the literature, but also to the hypothesis of population admixture/stratification. It is concluded that meta-analysis can be considered as a helpful analytical tool to synthesise and discuss livestock candidate gene effects. The main difficulty found was the insufficient information on the standard errors of the estimated genotype effects in several publications. Consequently, the convenience of publishing the standard errors or the concrete P-values instead of the test significance level should be recommended to guarantee the quality of candidate gene effect meta-analyses.

  12. Generation and characterization of alkali metal clusters in Y-FAU zeolites. An ESR and MAS NMR spectroscopic study

    Science.gov (United States)

    Hannus, István; Béres, Attila; Nagy, János B.; Halász, János; Kiricsi, Imre

    1997-06-01

    Charged and neutral metal clusters of various compositions and sizes can be prepared by controlling the alkali metal content by the decomposition of alkali azides and the composition of the host zeolite by ion-exchange. ESR signals show that electron transfer from alkali metal atoms to alkali metal cations does occur, but in a direction opposite to that predicted by the gas-phase thermochemistry. Alkali metal clusters proved to be very active basic catalytic centers.

  13. ESR Study on calcineurin

    Institute of Scientific and Technical Information of China (English)

    魏群; 肖方祥; 卢景芬; 周捷

    1995-01-01

    X-band electron spin resonance spectroscopy was used to investigate the binding of Mn2+tothe apo-forms of calcineurin and its A and B subunits.The results indicated the presence of 2Mn2+binding sites of different affinities(20μmol/L and 60μmol/L)in the calcineurin A subunit and 4Mn2+binding sites in the calcineurin subunit B,2 high affinity and 2 low affinity binding sites withKd’s of 4μmol/L and 90μmol/L,respectively.Interestingly and quite surprisingly,Mn2+binding to theholoenzyme was characterized by only 2 binding sites with Kd’s of 7μmol/L and 33μmol/L.However,inthe presence of calmodulin about 10 Mn2+sites were detected,and the Mn2+calmodulin-calcineurin complexexhibited enzymatic activity.These results,based on direct spectral measurements of the metal ligand,demonstrate that Mn2+binds to both free subunits of calcineurin in a manner distinct from binding to theholoenzyme.Also,the data suggest that conformational changes occur upon heterodimer formation andassociation of the holoenzyme with the regulatory protein calmodulin.

  14. ESR studies on the thermal decomposition of trimethylamine oxide to formaldehyde and dimethylamine in jumbo squid (Dosidicus gigas) extract.

    Science.gov (United States)

    Zhu, Junli; Jia, Jia; Li, Xuepeng; Dong, Liangliang; Li, Jianrong

    2013-12-15

    The effects of ferrous iron, heating temperature and different additives on the decomposition of trimethylamine oxide (TMAO) to formaldehyde (FA) and dimethylamine (DMA) and generation of free radicals in jumbo squid (Dosidicus gigas) extract during heating were evaluated by electron spin resonance (ESR). The thermal decomposition of TMAO to TMA, DMA and FA and free radical signals was observed in squid extract, whereas no DMA, FA and free radical signals were detected in cod extract or in aqueous TMAO solution in vitro at high temperatures. Significant increase in levels of DMA, FA and radicals intensity were observed in squid extract and TMAO solution in the presence of ferrous iron with increasing temperature. Hydrogen peroxide stimulated the production of DMA, FA and ESR signals in squid extract, while citric acid, trisodium citrate, calcium chloride, tea polyphenols and resveratrol had the opposite effect. Similar ESR spectra of six peaks regarded as amminium radical were detected in the squid extract and TMAO-iron(II) solution, suggesting that the amminium radical was involved in the decomposition of TMAO. Copyright © 2013 Elsevier Ltd. All rights reserved.

  15. Current topics in ESR dating

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, Anne R., E-mail: Anne.R.Skinner@williams.edu [Williams College, Williamstown, MA (United States)

    2011-09-15

    After over 25 years, the use of electron spin resonance (ESR) is well-established in dating sites of geological, paleontological and archaeological interest. Like any scientific technique, there have been changes in understanding and in methodology. Improvements have not, however, changed the observation that external dose calculations are still a significant source of uncertainty in ages. Examples from Europe, Africa and the Americans illustrate this point. For Pradayrol Cave (France), the occupation age, 330 ka, is unchallenged, making this the oldest known Neanderthal site in France. For Roc de Marsal, also in France, on the other hand, discrepancies between TL and sedimentary dose rates imply substantial differences in interpretation. In the Western Egyptian Desert, where artifacts and datable material are not well-correlated, the dating results show consistency with expectations based on global climate change, even in deflated sites. Climate change is also the question in geological studies in the Bahamas where, despite concerns about cosmic dose history, ESR dates confirm other evidence for sea level changes. We show that an uncertain age is not the same as an impossible one.

  16. Mn doping effect on optical and ESR studies of Zn{sub 1-x}Mn{sub x}O compound sintered at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Mahule, T.; Srinivasu, V. V. [Department of Physics, CSET, University of South Africa, Johannesburg, 1710 (South Africa); Das, J., E-mail: jayashree304@gmail.com [Department of Physics, CSET, University of South Africa, Johannesburg, 1710 (South Africa); Department of Physics, Silicon Institute of Technology, Bhubaneswar, 751024, Odisha (India)

    2016-05-06

    Polycrystalline bulk samples of Zn{sub 1-x}Mn{sub x}O with x=0.02, 0.04, 0.05 and sintered at different temperatures (500 °C & 800 °C) were studied to investigate the doping effect on the structural, optical properties and spin dynamics in ZnO system. The crystallite size was seen to decrease with no significant change in other structural parameters. FTIR study showed a small effect on the Zn-O stretching bond and other bonds due to presence of Mn. Calculation from UV-Vis spectra showed increase in the optical band gap in the low temperature sintered samples due to Mn doping. In the PL spectra, the UV emission seen to dominate for the 500 °C sintered sample, for 800 °C sample the visible emission dominate indicating increase in non-radiative emission. ESR signals obtained from the microwave absorption shows ferromagnetic signal for the low temperature sintered sample only with a g value of 2.004 for the 2% Mn doped sample. The number of spin participation for resonance is calculated from the ESR signal, which supports the magnetic behaviour of this particular sample.

  17. NMR AND ESR STUDIES ON ANNEALING EFFECTS IN a-Si : F : H AND a-Si : H

    OpenAIRE

    1981-01-01

    Measurements of NMR of F in a-Si :F : H and a-Si : F have been carried out and the results are compared with those of H in a-Si : F : H and a-Si : H. Effects of motional narrowing on the linewidth of F NMR in a-Si : F : H show that some fraction of F is incorporated in the form of SiF4 or (SiF2)n which tends to move easily. When samples are annealed, the increase in the ESR center density is remarkable in a-Si : F : H and a-Si : H corresponding to the decrease in the H content, but the increa...

  18. Persistent free radical ESR signals in marine bivalve tissues. [Electron Spin Resonance (ESR)

    Energy Technology Data Exchange (ETDEWEB)

    Mehlorn, R.J. (California Univ., Berkeley, CA (United States). Dept. of Materials Science and Mineral Engineering); Mendez, A.T. (Fundacion Educativa Ana G. Mendez, Rio Piedras (Puerto Rico)); Higashi, R. (California Univ., Bodega Bay, CA (United States). Bodega Marine Lab.); Fan, T. (California Univ., Davis, CA (United States))

    1992-08-01

    Freeze-dried homogenates of the oyster Crassostrea rhizophorae collected from waters in Puerto Rico near urban and industrial sites as well as at relatively pristine locations yielded electron spin resonance (ESR) spectra characteristic of free radicals as well as spectral components of transition metal ions, dominated by manganese. The magnitudes of these ESR signals and the concentrations of trace elements (determined by X-ray fluorescence) varied considerably among oyster samples, masking any potential correlation with polluted waters. Laboratory studies were initiated to identify the factors controlling the magnitudes of the tissue free radical ESR signals. Another mollusc, Mytilus californianus collected at the Bodega Marine laboratory in northern California, was fractionated into goneds and remaining tissue. Freeze-dried homogenates of both fractions exhibited ESR signals that increased gradually with time. ESR signals were observed in freeze-dried perchloric acid (PCA) precipitates of the homogenates, delipidated PCA precipitates, and in chloroform extracts of these precipitates. Acid hydrolysis to degrade proteins to amino acids produced a residue, which yielded much larger ESR free radical signals after freeze-drying. Freshly thawed homogenates of Crassostrea rhizophorae also exhibited ESR signals. A laboratory model of copper stress in Crassostrea rhizophorae was developed to study the effect of this transition metal on dssue free radicals. Preliminary results suggested that sublethal copper exposure had little effect on tissue fire radicals, except possibly for a signal enhancement in an oyster fraction that was enriched in kidney granules. Since kidney granules are known to accumulate heavy metals in mussels and probably other marine bivalves, this signal enhancement may prove to be an indicator of free radical processes associated with heavy metal deposition in molluscs.

  19. Radiation Effect on Polytetrafluoroethylene Studied by ESR%聚四氟乙烯的辐射效应及其ESR研究

    Institute of Scientific and Technical Information of China (English)

    沈光来; 苏吉虎; 陈家富

    2011-01-01

    This review introduces some of the pioneering works on radiolysis of polytetrafluoroethylene (PTFE), which started in the mid 1950s. The electron spin resonance (ESR) studies on radiation-induced radicals and their corresponding peroxy radicals in PTFE were reviewed, with respect to experimental conditions, irradiation dose, structures of PTFE powders (I. E. , crystallinity and crosslinking).%该文回顾了从上世纪50年代中期至近年来人们在聚四氟乙烯(PTFE)辐射效应方面的研究工作,初步总结了辐射PTFE产生的自由基及其相应的过氧化自由基的电子自旋共振(ESR)波谱学应用研究,总结并讨论了实验温度、辐射剂量、PTFE粉末形式、结晶度和交联等因素对辐射PTFE自由基ESR信号的影响.同时还简要介绍了辐射PTFE后的自由基反应以及辐射交联的进展情况.

  20. Radiation dosimetry by ESR in bone

    Energy Technology Data Exchange (ETDEWEB)

    Gallegos, R. (Universidad de San Agustin de Arequipa (Peru)); Marticorena, B. (Instituto Peruano de Energia Nuclear, Lima)

    1983-05-01

    The absorption speed in bovine bone samples irradiated with a /sup 90/Sr ..beta..-source of 45 mCi is studied with ESR. The signal changes linearly with the absorbed quantity of radiation to a maximum dose of 1.5 x 10/sup 6/ rads. This positive result allows to foresee the use of bone as a radiation dosimeter.

  1. An FT-IR study of NO adsorption over Cu-exchanged MFI catalysts. Effect of Si/Al ratio, copper loading and catalyst pre-treatment

    Energy Technology Data Exchange (ETDEWEB)

    Henriques, C.; Ribeiro, M.F.; Abreu, C. [Grupo de Zeolitos, Departamento de Engenharia Quimica, Instituto Superior Tecnico, Lisbon (Portugal); Murphy, D.M. [Department of Chemistry, University of Wales Cardiff, Cardiff (United Kingdom); Poignant, F.; Saussey, J.; Lavalley, J.C. [Laboratoire de Catalyse et Spectrochimie - ISMRA, Universite de Caen, URA 414, Caen (France)

    1998-03-06

    NO adsorption, at room temperature, has been studied by infrared spectroscopy on copper MFI catalysts with different Si/Al ratios and copper loadings. The relative amount of the overall Cu{sup 2+}-NO and Cu{sup +}-NO complexes has been evaluated for each catalyst, as well as that of the different Cu{sup 2+}-NO components. ESR spectra have also been recorded in order to check the different Cu{sup 2+} coordinations. It clearly appears that square planar copper sites predominate for high Cu/Al catalysts. A comparison with reactivity data, relative to SCR of NO by propene, under an excess of oxygen, strongly suggests that these sites are involved in the considered reaction

  2. Prognostic significance of ESR1 gene amplification, mRNA/protein expression and functional profiles in high-risk early breast cancer: a translational study of the Hellenic Cooperative Oncology Group (HeCOG.

    Directory of Open Access Journals (Sweden)

    George Pentheroudakis

    Full Text Available BACKGROUND: Discrepant data have been published on the incidence and prognostic significance of ESR1 gene amplification in early breast cancer. PATIENTS AND METHODS: Formalin-fixed paraffin-embedded tumor blocks were collected from women with early breast cancer participating in two HeCOG adjuvant trials. Messenger RNA was studied by quantitative PCR, ER protein expression was centrally assessed using immunohistochemistry (IHC and ESR1 gene copy number by dual fluorescent in situ hybridization probes. RESULTS: In a total of 1010 women with resected node-positive early breast adenocarcinoma, the tumoral ESR1/CEP6 gene ratio was suggestive of deletion in 159 (15.7%, gene gain in 551 (54.6% and amplification in 42 cases (4.2%, with only 30 tumors (3% harboring five or more ESR1 copies. Gene copy number ratio showed a significant, though weak correlation to mRNA and protein expression (Spearman's Rho <0.23, p = 0.01. ESR1 clusters were observed in 9.5% (57 gain, 38 amplification of cases. In contrast to mRNA and protein expression, which were favorable prognosticators, gene copy number changes did not obtain prognostic significance. When ESR1/CEP6 gene ratio was combined with function (as defined by ER protein and mRNA expression in a molecular classifier, the Gene Functional profile, it was functional status that impacted on prognosis. In univariate analysis, patients with functional tumors (positive ER protein expression and gene ratio normal or gain/amplification fared better than those with non-functional tumors with ESR1 gain (HR for relapse or death 0.49-0.64, p = 0.003. Significant interactions were observed between gene gain/amplification and paclitaxel therapy (trend for DFS benefit from paclitaxel only in patients with ESR1 gain/amplification, p = 0.066 and Gene Functional profile with HER2 amplification (Gene Functional profile prognostic only in HER2-normal cases, p = 0.029. CONCLUSIONS: ESR1 gene deletion and

  3. Guest inclusion in cucurbiturils studied by ESR and DFT: the case of nitroxide radicals and spin adducts of DMPO and MNP.

    Science.gov (United States)

    Spulber, Mariana; Schlick, Shulamith; Villamena, Frederick A

    2012-08-23

    We present an ESR and DFT study of the interaction of cucurbiturils CB[6], CB[7], and CB[8] with di-tert-butyl nitroxide ((CH(3))(3)C)(2)NO (DTBN) and with spin adducts of 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) and 2-methyl-2-nitrosopropane (MNP). The primary goal was to understand the structural parameters that determine the inclusion mechanism in the CBs using DTBN, a nitroxide with great sensitivity to the local environment. In addition, we focused on the interactions with CBs of the spin adducts DMPO/OH and MNP/CH(2)COOH generated in aqueous CH(3)COOH. A range of interactions between DTBN and CBs was identified for pH 3.2, 7, and 10. No complexation of DTBN with CB[6] was deduced in this pH range. The interaction between DTBN and CB[7] is evident at all pH values: "in" and "out" nitroxides, with (14)N hyperfine splitting, a(N), values of 15.5 and 17.1 G, respectively, were detected by ESR. Interaction of DTBN with CB[8] was also detected for all pH values, and the only species had a(N) = 16.4 G, a result that can be rationalized by an "in" nitroxide in a less hydrophobic environment compared to CB[7]. Computational studies indicated that the DTBN complex with CB[7] is thermodynamically favored compared to that in CB[8]; the orientations of the NO group are parallel to the CB[7] plane and perpendicular to the CB[8] plane (pointing toward the annulus). Addition of sodium ions led to the ESR detection of a three-component complex between CB[7], DTBN, and the cations; the ternary complex was not detected for CB[8]. The DMPO/OH spin adduct was stabilized in the presence of CB[7], but the effect on a(N) was negligible, indicating that the N-O group is located outside the CB cavity. Computational studies indicated more favorable energetics of complexation for DMPO/OH in CB[7] compared to DTBN. An increase of a(N) was detected in the presence of CB[7] for the MNP/CH(2)COOH adduct generated in CH(3)COOH, a result that was assigned to the generation of the three

  4. Dynamics of CO2- radiation defects in natural calcite studied by ESR, electron spin echo and electron spin relaxation

    Science.gov (United States)

    Wencka, M.; Lijewski, S.; Hoffmann, S. K.

    2008-06-01

    ESR spectra were recorded in the X-band (9.6 GHz) and in the W-band (94 GHz) and electron spin relaxation was measured by electron spin echo (ESE) in the temperature range 4.2-300 K for radicals in natural calcite samples obtained from a cave stalactite and a dripstone layer. Four types of carbonate radical spectra and two sulfate radical spectra were identified and high accuracy g-factors were derived. Time and temperature behaviour of the spectra show that the dominating CO2- radicals are rigidly bonded or undergo free reorientations, whereas CO3-, SO2- and SO3- only undergo free reorientations. Below 200 K the free reorientations of CO2- are suppressed and a hindered rotation around single local axis appears. The ESE detected spectrum proves that the lines of free rotating radicals are homogeneously broadened, thus they cannot participate in electron spin echo formation. Spin-lattice relaxation data show that CO2- radicals are decoupled from lattice phonons and relax via local mode tunnelling motion between inequivalent oxygen positions of CO2- molecules. The tunnelling appears in two excited vibrational states of energy 71 and 138 cm-1. Librational motions of CO2- molecules were detected by electron spin echo decay (phase relaxation) with energy 153 cm-1. Two kinds of impurity hydrogen atoms were distinguished from ESEEM: in-water inclusions and water coordinated to the calcium ions.

  5. ESR phase competition study of Pr{sub 0.5}(Ca{sub 0.85}Sr{sub 0.15}){sub 0.5}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Winkler, E. [Centro Atomico Bariloche, CNEA, 8400 S. C. de Bariloche, RN (Argentina)]. E-mail: winkler@cab.cnea.gov.ar; Causa, M.T. [Centro Atomico Bariloche, CNEA, 8400 S. C. de Bariloche, RN (Argentina); Ramos, C.A. [Centro Atomico Bariloche, CNEA, 8400 S. C. de Bariloche, RN (Argentina); De Biasi, E. [Centro Atomico Bariloche, CNEA, 8400 S. C. de Bariloche, RN (Argentina)

    2004-12-31

    We report an electron spin resonance (ESR) study of the competing phases at the crossover from localized to itinerant behaviour on the polycrystalline Pr{sub 0.5}(Ca{sub 0.85}Sr{sub 0.15}){sub 0.5}MnO{sub 3} compounds. From the temperature dependence of the ESR intensity, we derived the transition temperatures to charge order (T{sub CO}=230 K), and antiferromagnetic (T{sub N}=150 K) states. In addition, at T<200 K, a ferromagnetic minority phase was found, that coexists with the paramagnetic and antiferromagnetic phases. We perform simulations of the ESR spectra that reproduce the behaviour found at different temperatures.

  6. ESR dating of fault rocks

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hee Kwon [Kangwon National Univ., Chuncheon (Korea, Republic of)

    2002-03-15

    Past movement on faults can be dated by measurement of the intensity of ESR signals in quartz. These signals are reset by local lattice deformation and local frictional heating on grain contacts at the time of fault movement. The ESR signals then trow back as a result of bombardment by ionizing radiation from surrounding rocks. The age is obtained from the ratio of the equivalent dose, needed to produce the observed signal, to the dose rate. Fine grains are more completely reset during faulting, and a plot of age vs grain size shows a plateau for grains below critical size : these grains are presumed to have been completely zeroed by the last fault activity. We carried out ESR dating of fault rocks collected from the Yangsan fault system. ESR dates from the this fault system range from 870 to 240 ka. Results of this research suggest that long-term cyclic fault activity continued into the pleistocene.

  7. Metabolic stability of superoxide and hydroxyl radical adducts of a cyclic nitrone toward rat liver microsomes and cytosol: A stopped-flow ESR spectroscopy study.

    Science.gov (United States)

    Bézière, Nicolas; Frapart, Yves; Rockenbauer, Antal; Boucher, Jean-Luc; Mansuy, Daniel; Peyrot, Fabienne

    2010-08-01

    The metabolic stability of the spin adducts derived from the reaction of superoxide and hydroxyl radicals with 5-tert-butoxycarbonyl-5-methyl-1-pyrroline N-oxide (BocMPO) in the presence of rat liver microsomes (RLM) and rat liver cytosol (RLC) was studied by using a stopped-flow device coupled to an electron spin resonance (ESR) spectrometer. The kinetics of the disappearance of the BocMPO-OH and BocMPO-OOH radicals could be followed by ESR spectroscopy with treatment of the ESR data by an appropriate computer program. The presence of cytosol led to a 60-fold decrease of the half-life of BocMPO-OOH with the intermediate formation of BocMPO-OH. This effect of cytosol was due to an ascorbate- and thiol-dependent reduction of BocMPO-OOH. RLC only led to a 5-fold decrease of the half-life of BocMPO-OH that was predominantly due to cytosolic ascorbate. RLM led to a 10-fold decrease of the BocMPO-OOH half-life that was mainly related to a direct reaction of the hydroperoxide function of BocMPO-OOH with cytochrome P450 Fe(III) (P450). Other ferric heme proteins, such as methemoglobin (metHb) and horseradish peroxidase (HRP), as well as hemin itself, exhibited a similar behavior. RLM and metHb showed a much weaker effect on BocMPO-OH half-life (2-fold decrease), whereas RLM in the presence of NADPH caused a greater decrease of the BocMPO-OH half-life ( approximately 5-fold). The effect of RLM without NADPH was mainly due to a direct reaction with microsomal P450, whereas the RLM- and NADPH-dependent effect was mainly due to flavin-containing reductases such as cytochrome P450 reductase. These data on the effects of liver subcellular fractions on the half-life of the BocMPO-OOH and the BocMPO-OH spin adducts highlight the role of heme as a biological cofactor involved in the disappearance of such spin adducts. They should be helpful for the design of new spin traps that would form more metabolically stable spin adducts in vitro and in vivo.

  8. Isotope Effects in ESR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Werner Herrmann

    2013-06-01

    Full Text Available In order to present the relationship between ESR spectroscopy and isotope effects three levels are considered: (i ESR spectroscopy is described on a general level up to the models for interpretation of the experimental spectra, which go beyond the usually used time and mass independent spin-Hamilton operator, (ii the main characteristics of the generalized isotope effects are worked out, and finally (iii the basic, mainly quantum mechanical effects are used to describe the coupling of electron spins with the degrees of freedom, which are accessible under the selected conditions, of the respective paramagnetic object under investigation. The ESR parameters and the respective models are formalized so far, that they include the time and mass depending influences and reflect the specific isotope effects. Relations will be established between the effects in ESR spectra to spin relaxation, to spin exchange, to the magnetic isotope effect, to the Jahn-Teller effects, as well as to the influence of zero-point vibrations. Examples will be presented which demonstrate the influence of isotopes as well as the kind of accessible information. It will be differentiated with respect to isotope effects in paramagnetic centres itself and in the respective matrices up to the technique of ESR imaging. It is shown that the use of isotope effects is indispensable in ESR spectroscopy.

  9. In vivo dosimetry in the urethra using alanine/ESR during (192)Ir HDR brachytherapy of prostate cancer--a phantom study.

    Science.gov (United States)

    Anton, Mathias; Wagner, Daniela; Selbach, Hans-Joachim; Hackel, Thomas; Hermann, Robert Michael; Hess, Clemens Friedrich; Vorwerk, Hilke

    2009-05-07

    A phantom study for dosimetry in the urethra using alanine/ESR during (192)Ir HDR brachytherapy of prostate cancer is presented. The measurement method of the secondary standard of the Physikalisch-Technische Bundesanstalt had to be slightly modified in order to be able to measure inside a Foley catheter. The absorbed dose to water response of the alanine dosimetry system to (192)Ir was determined with a reproducibility of 1.8% relative to (60)Co. The resulting uncertainty for measurements inside the urethra was estimated to be 3.6%, excluding the uncertainty of the dose rate constant Lambda. The applied dose calculated by a treatment planning system is compared to the measured dose for a small series of (192)Ir HDR irradiations in a gel phantom. The differences between the measured and applied dose are well within the limits of uncertainty. Therefore, the method is considered to be suitable for measurements in vivo.

  10. In vivo dosimetry in the urethra using alanine/ESR during 192Ir HDR brachytherapy of prostate cancer—a phantom study

    Science.gov (United States)

    Anton, Mathias; Wagner, Daniela; Selbach, Hans-Joachim; Hackel, Thomas; Hermann, Robert Michael; Hess, Clemens Friedrich; Vorwerk, Hilke

    2009-05-01

    A phantom study for dosimetry in the urethra using alanine/ESR during 192Ir HDR brachytherapy of prostate cancer is presented. The measurement method of the secondary standard of the Physikalisch-Technische Bundesanstalt had to be slightly modified in order to be able to measure inside a Foley catheter. The absorbed dose to water response of the alanine dosimetry system to 192Ir was determined with a reproducibility of 1.8% relative to 60Co. The resulting uncertainty for measurements inside the urethra was estimated to be 3.6%, excluding the uncertainty of the dose rate constant Λ. The applied dose calculated by a treatment planning system is compared to the measured dose for a small series of 192Ir HDR irradiations in a gel phantom. The differences between the measured and applied dose are well within the limits of uncertainty. Therefore, the method is considered to be suitable for measurements in vivo.

  11. In vivo dosimetry in the urethra using alanine/ESR during {sup 192}Ir HDR brachytherapy of prostate cancer-a phantom study

    Energy Technology Data Exchange (ETDEWEB)

    Anton, Mathias; Selbach, Hans-Joachim; Hackel, Thomas [Physikalisch-Technische Bundesanstalt, Braunschweig (Germany); Wagner, Daniela; Hess, Clemens Friedrich; Vorwerk, Hilke [Department of Radiotherapy and Radiooncology, University Hospital Goettingen, Goettingen (Germany); Hermann, Robert Michael [Zentrum fuer Strahlentherapie und Radioonkologie, Bremen (Germany)], E-mail: mathias.anton@ptb.de

    2009-05-07

    A phantom study for dosimetry in the urethra using alanine/ESR during {sup 192}Ir HDR brachytherapy of prostate cancer is presented. The measurement method of the secondary standard of the Physikalisch-Technische Bundesanstalt had to be slightly modified in order to be able to measure inside a Foley catheter. The absorbed dose to water response of the alanine dosimetry system to {sup 192}Ir was determined with a reproducibility of 1.8% relative to {sup 60}Co. The resulting uncertainty for measurements inside the urethra was estimated to be 3.6%, excluding the uncertainty of the dose rate constant {lambda}. The applied dose calculated by a treatment planning system is compared to the measured dose for a small series of {sup 192}Ir HDR irradiations in a gel phantom. The differences between the measured and applied dose are well within the limits of uncertainty. Therefore, the method is considered to be suitable for measurements in vivo.

  12. Ribavirin restores ESR1 gene expression and tamoxifen sensitivity in ESR1 negative breast cancer cell lines

    Directory of Open Access Journals (Sweden)

    Sappok Anne

    2011-12-01

    Full Text Available Abstract Tumor growth is estrogen independent in approximately one-third of all breast cancers, which makes these patients unresponsive to hormonal treatment. This unresponsiveness to hormonal treatment may be explained through the absence of the estrogen receptor alpha (ESR1. The ESR1 gene re-expression through epigenetic modulators such as DNA methyltransferase inhibitors and/or histone deacetylase inhibitors restores tamoxifen sensitivity in ESR1 negative breast cancer cell lines and opens new treatment horizons in patients who were previously associated with a poor prognosis. In the study presented herein, we tested the ability of ribavirin, which shares some structural similarities with the DNA-methyltransferase inhibitor 5-azacytidine and which is widely known as an anti-viral agent in the treatment of hepatitis C, to restore ESR1 gene re-expression in ESR1 negative breast cancer cell lines. In our study we identified ribavirin to restore ESR1 gene re-expression alone and even more in combination with suberoylanilide hydroxamic acid (SAHA - up to 276 fold induction. Ribavirin and analogs could pave the way to novel translational research projects that aim to restore ESR1 gene re-expression and thus the susceptibility to tamoxifen-based endocrine treatment strategies.

  13. ESR dating of fault rocks

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hee Kwon [Kangwon National Univ., Chuncheon (Korea, Republic of)

    2003-02-15

    Past movement on faults can be dated by measurement of the intensity of ESR signals in quartz. These signals are reset by local lattice deformation and local frictional heating on grain contacts at the time of fault movement. The ESR signals then grow back as a result of bombardment by ionizing radiation from surrounding rocks. The age is obtained from the ratio of the equivalent dose, needed to produce the observed signal, to the dose rate. Fine grains are more completely reset during faulting, and a plot of age vs. grain size shows a plateau for grains below critical size; these grains are presumed to have been completely zeroed by the last fault activity. We carried out ESR dating of fault rocks collected near the Gori nuclear reactor. Most of the ESR signals of fault rocks collected from the basement are saturated. This indicates that the last movement of the faults had occurred before the Quaternary period. However, ESR dates from the Oyong fault zone range from 370 to 310 ka. Results of this research suggest that long-term cyclic fault activity of the Oyong fault zone continued into the Pleistocene.

  14. The ESR Characterization of Oligomeric Thiophene Materials

    Science.gov (United States)

    1994-06-28

    1955). 16 Table 1. Summary of cyclic voltametry results. Table 2. Summary of ESR results. 17 Figure 1. Structures of molecules studied. Figure 2...H20 removal system). The cyclic voltammetry experiments were performed with a potentiostat/galvanostat EG&G model 273 and recorded on an X-Y IBM...Results of cyclic voltammetry measurements are given in Table 1 and representative voltammograms are shown in Figures 2-3. The cyclic voltammetry of 7

  15. Spectroscopic, thermal, catalytic and biological studies of Cu(II) azo dye complexes

    Science.gov (United States)

    El-Sonbati, A. Z.; Diab, M. A.; El-Bindary, A. A.; Shoair, A. F.; Hussein, M. A.; El-Boz, R. A.

    2017-08-01

    New complexes of copper(II) with azo compounds of 5-amino-2-(aryl diazenyl)phenol (HLn) are prepared and investigated by elemental analyses, molar conductance, IR, 1H NMR, UV-Visible, mass, ESR spectra, magnetic susceptibility measurements and thermal analyses. The complexes have a square planar structure and general formula [Cu(Ln)(OAc)]H2O. Study the catalytic activities of Cu(II) complexes toward oxidation of benzyl alcohol derivatives to carbonyl compounds were tested using H2O2 as the oxidant. The intrinsic binding constants (Kb) of the ligands (HLn) and Cu(II) complexes (1-4) with CT-DNA are determined. The formed compounds have been tested for biological activity of antioxidants, antibacterial against Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria and yeast Candida albicans. Antibiotic (Ampicillin) and antifungal against (Colitrimazole) and cytotoxic compounds HL1, HL2, HL3 and complex (1) showed moderate to good activity against S. aureus, E. coli and Candida albicans, and also to be moderate on antioxidants and toxic substances. Molecular docking is used to predict the binding between the ligands with the receptor of breast cancer (2a91).

  16. Physics book: CRYRING@ESR

    Science.gov (United States)

    Lestinsky, M.; Andrianov, V.; Aurand, B.; Bagnoud, V.; Bernhardt, D.; Beyer, H.; Bishop, S.; Blaum, K.; Bleile, A.; Borovik, At.; Bosch, F.; Bostock, C. J.; Brandau, C.; Bräuning-Demian, A.; Bray, I.; Davinson, T.; Ebinger, B.; Echler, A.; Egelhof, P.; Ehresmann, A.; Engström, M.; Enss, C.; Ferreira, N.; Fischer, D.; Fleischmann, A.; Förster, E.; Fritzsche, S.; Geithner, R.; Geyer, S.; Glorius, J.; Göbel, K.; Gorda, O.; Goullon, J.; Grabitz, P.; Grisenti, R.; Gumberidze, A.; Hagmann, S.; Heil, M.; Heinz, A.; Herfurth, F.; Heß, R.; Hillenbrand, P.-M.; Hubele, R.; Indelicato, P.; Källberg, A.; Kester, O.; Kiselev, O.; Knie, A.; Kozhuharov, C.; Kraft-Bermuth, S.; Kühl, T.; Lane, G.; Litvinov, Yu. A.; Liesen, D.; Ma, X. W.; Märtin, R.; Moshammer, R.; Müller, A.; Namba, S.; Neumeyer, P.; Nilsson, T.; Nörtershäuser, W.; Paulus, G.; Petridis, N.; Reed, M.; Reifarth, R.; Reiß, P.; Rothhardt, J.; Sanchez, R.; Sanjari, M. S.; Schippers, S.; Schmidt, H. T.; Schneider, D.; Scholz, P.; Schuch, R.; Schulz, M.; Shabaev, V.; Simonsson, A.; Sjöholm, J.; Skeppstedt, Ö.; Sonnabend, K.; Spillmann, U.; Stiebing, K.; Steck, M.; Stöhlker, T.; Surzhykov, A.; Torilov, S.; Träbert, E.; Trassinelli, M.; Trotsenko, S.; Tu, X. L.; Uschmann, I.; Walker, P. M.; Weber, G.; Winters, D. F. A.; Woods, P. J.; Zhao, H. Y.; Zhang, Y. H.

    2016-09-01

    The exploration of the unique properties of stored and cooled beams of highly-charged ions as provided by heavy-ion storage rings has opened novel and fascinating research opportunities in the realm of atomic and nuclear physics research. Since the late 1980s, pioneering work has been performed at the CRYRING at Stockholm (Abrahamsson et al. 1993) and at the Test Storage Ring (TSR) at Heidelberg (Baumann et al. 1988). For the heaviest ions in the highest charge-states, a real quantum jump was achieved in the early 1990s by the commissioning of the Experimental Storage Ring (ESR) at GSI Helmholtzzentrum für Schwerionenforschung (GSI) in Darmstadt (Franzke 1987) where challenging experiments on the electron dynamics in the strong field regime as well as nuclear physics studies on exotic nuclei and at the borderline to atomic physics were performed. Meanwhile also at Lanzhou a heavy-ion storage ring has been taken in operation, exploiting the unique research opportunities in particular for medium-heavy ions and exotic nuclei (Xia et al. 2002).

  17. Irradiation detection of coffee mate by electron spin resonance (ESR)

    Science.gov (United States)

    Özsayin, Fulya; Polat, Mustafa

    2011-06-01

    Un-irradiated coffee mate samples do not exhibit any ESR signal. However, the samples exposed to UV and gamma radiation exhibit an ESR singlet and a large unresolved ESR signal, respectively. The dose-response curves of the samples exposed to UV and gamma radiations were found to be described well by an exponential and linear functions, respectively. Variable temperature and fading studies at room temperature showed that the radiation-induced radicals in coffee mate sample are very sensitive to temperature. The discrimination between un-irradiated and irradiated coffee mate samples can be done just comparing their ESR spectra. However, determination of the radiation dose received by the sample cannot be possible because of the fast decay of signal intensity at room temperature.

  18. ESR identification of gamma-irradiated albendazole

    Science.gov (United States)

    Çolak, Seyda

    2010-01-01

    The use of ionizing radiation for sterilization of pharmaceuticals is a well-established technology. In the present work, the spectroscopic and kinetic features of the radicals induced in gamma-irradiated solid albendazole samples is investigated at different temperatures in the dose range of 3-34 kGy by electron spin resonance (ESR) spectroscopy. Irradiation with gamma radiation produced two different radical species in albendazole. They were fairly stable at room temperature but relatively unstable above room temperature, giving rise to an unresolved ESR spectrum consisting of three resonance peaks centered at g=2.0057. Decay activation energies of the contributing radical species were calculated to be 47.8 (±13.5) and 50.5 (±9.7) kJ/mol using the signal intensity decay data derived from annealing studies performed at high temperatures. A linear function of the applied dose was found to best describe the experimental dose-response data. Albendazole does not present the characteristics of good dosimetric materials. However, the discrimination of irradiated albendazole from its unirradiated form was possible even 6 months after storage in normal conditions. Based on these findings, it is concluded that albendazole and albendazole-containing drugs can be safely sterilized by gamma radiation and that ESR spectroscopy could be successfully used as a potential technique for monitoring their radiosterilization.

  19. Anisotropic magnetic interactions and spin dynamics in the spin-chain compound Cu (py) 2Br2 : An experimental and theoretical study

    Science.gov (United States)

    Zeisner, J.; Brockmann, M.; Zimmermann, S.; Weiße, A.; Thede, M.; Ressouche, E.; Povarov, K. Yu.; Zheludev, A.; Klümper, A.; Büchner, B.; Kataev, V.; Göhmann, F.

    2017-07-01

    We compare theoretical results for electron spin resonance (ESR) properties of the Heisenberg-Ising Hamiltonian with ESR experiments on the quasi-one-dimensional magnet Cu (py) 2Br2 (CPB). Our measurements were performed over a wide frequency and temperature range giving insight into the spin dynamics, spin structure, and magnetic anisotropy of this compound. By analyzing the angular dependence of ESR parameters (resonance shift and linewidth) at room temperature, we show that the two weakly coupled inequivalent spin-chain types inside the compound are well described by Heisenberg-Ising chains with their magnetic anisotropy axes perpendicular to the chain direction and almost perpendicular to each other. We further determine the full g tensor from these data. In addition, the angular dependence of the linewidth at high temperatures gives us access to the exponent of the algebraic decay of a dynamical correlation function of the isotropic Heisenberg chain. From the temperature dependence of static susceptibilities, we extract the strength of the exchange coupling (J /kB=52.0 K ) and the anisotropy parameter (δ ≈-0.02 ) of the model Hamiltonian. An independent compatible value of δ is obtained by comparing the exact prediction for the resonance shift at low temperatures with high-frequency ESR data recorded at 4 K . The spin structure in the ordered state implied by the two (almost) perpendicular anisotropy axes is in accordance with the propagation vector determined from neutron scattering experiments. In addition to undoped samples, we study the impact of partial substitution of Br by Cl ions on spin dynamics. From the dependence of the ESR linewidth on the doping level, we infer an effective decoupling of the anisotropic component J δ from the isotropic exchange J in these systems.

  20. Spectroscopic Evidence for Covalent Binding of Sulfadiazine to Natural Soils via 1,4-nucleophilic addition (Michael Type Addition) studied by Spin Labeling ESR

    Science.gov (United States)

    Aleksandrova, Olga

    2015-04-01

    Among different classes of veterinary pharmaceuticals, Sulfadiazine (SDZ) is widely used in animal husbandry. Its residues were detected in different environmental compartments. However, soil is a hot spot for SDZ as it receives a large portion of excreted compounds through the application of manure during soil fertilization. Ample studies on the fate of SDZ in soils showed that a large portion forms nonextractable residues (NER) along with transformation products and a low mineralization (Mueller et al., 2013). A common observation was an initially fast formation of NER up to 10% of the applied amount promptly after the application of SDZ to soil, and this portion increased up to 50% within a few days (Mueller et al., 2013; Nowak et al., 2011). A common finding for SDZ, as for other sulfonamides, was biphasic kinetics of the formation of NER, which was attributed to the occurrence of two reaction processes: a rapid, often reversible process and a slower, irreversible process (Weber et al., 1996). A single-phase reaction process was also established under anaerobic treatment (Gulkowska et al., 2014). A major focus of this work is to elucidate a reaction mechanism of covalent binding of SDZ to soil that is currently required to estimate a risk of NER formed by SDZ in soils for human health. Taking into account a key role of the amine functional groups of SDZ on its reactivity in soil, nitroxide radicals with the sewed aromatic or aliphatic amines labeled soil samples and then, were investigated by means of ESR spectroscopy. 2,5,5-Trimethyl-2-(3-aminophenyl)pyrrolidin-1-yloxy and 4-amino-2,2,6,6-Tetramethylpiperidin-1-oxyl modeled decomposition products of SDZ with the aromatic and aliphatic amines, respectively. The application of the defined combination of both spin labels (SL) to different soils well simulated a change of a paramagnetic signal of soil organic radicals interacted with SDZ. After their application to soil, SL were found in soil sites characterized

  1. Alloying effect via comparative studies of ethanol dehydrogenation on Cu(1 1 1), Cu3Pd(1 1 1), and Cu3Pt(1 1 1)

    Science.gov (United States)

    Wu, Ruitao; Wang, Lichang

    2017-06-01

    Ethanol dehydrogenations on Cu(1 1 1), Cu3Pd(1 1 1), and Cu3Pt(1 1 1) were studied using density functional theory with a PBE functional. The α-C-H and β-C-H scissions are endothermic on all surfaces while the O-H scission is exothermic on Cu(1 1 1) and Cu3Pt(1 1 1) but endothermic on Cu3Pd(1 1 1). The ethanol dehydrogenation occurs on Cu(1 1 1) through both α-C-H and O-H scissions but on Cu3Pd(1 1 1) and Cu3Pt(1 1 1) through only α-C-H scission. Furthermore, alloying Pt or Pd with Cu shows an increase in reaction rate at 493 K by more than 3 orders of magnitude, thus illustrating the promise of alloying Pt or Pd in Cu catalysts for ethanol dehydrogenation.

  2. Synthesis, structural characterization, thermal and electrochemical studies of mixed ligand Cu(II) complexes containing 2-phenyl-3-(benzylamino)-1,2-dihydroquinazoline-4-(3H)-one and bidentate N-donor ligands.

    Science.gov (United States)

    Sawant, V A; Yamgar, B A; Sawant, S K; Chavan, S S

    2009-12-01

    Some mixed ligand Cu(II) complexes of the type [Cu(L)(en)X(2)] (1a-3a), [Cu(L)(en)](ClO(4))(2) (4a), [Cu(L)(phen)X(2)] (1b-3b) and [Cu(L)(phen)](ClO(4))(2) (4b) [where L = 2-phenyl-3-(benzylamino)-1,2-dihydroquinazoline-4-(3H)-one; en = ethylenediamine; phen = 1,10-phenanthroline; X = Cl(-), N(3)(-) and NCS(-)] have been prepared. The complexes were characterized on the basis of elemental analysis, molar conductance, magnetic moment, IR, UV-vis, mass, ESR and thermal studies. On the basis of electronic spectral data and magnetic susceptibility measurement octahedral geometry has been proposed for 1a-3a and 1b-3b and square-planer geometry for 4a and 4b. The ESR spectral data of complexes provided information about their structure on the basis of Hamiltonian parameters and degree of covalency. The electrochemical behaviour of mixed ligand Cu(II) complexes was studied which showed that complexes of phen appear at more positive potential as compared to those for corresponding en complexes.

  3. Preparation and characterization studies of metaborates, Cu1–MB2O4 (M = Ni, Co and Mn; = 0, 0.1 and 0.5)

    Indian Academy of Sciences (India)

    N Anantharamulu; B Vijaya Kumar; V Rama Devi; T Sarojini; Ch Anjaneyulu; M Vithal

    2009-08-01

    Copper metaborates of Cu1–MB2O4 (M = Ni, Co and Mn; = 0, 0.1 and 0.5) compositions are prepared using B2O3 flux. Powder XRD studies showed them all to belong to the tetragonal system with space group $I\\bar{4}2$. Their infrared spectra exhibit characteristic vibrational bands of BO4 tetrahedron. The room temperature powder electron spin resonance (ESR) spectrum of copper metaborate gave a single peak at g ≈ 2.15. The diffuse reflectance spectra (DRS) of Cu1–MB2O4 (M = Ni, Co and Mn; = 0, 0.1 and 0.5) are consistent with ligand to metal ion charge transfer and square planar symmetry of Cu2+ ion. The ligand field parameters xy, s and t are obtained.

  4. Persistent free radical ESR signals in marine bivalve tissues

    Energy Technology Data Exchange (ETDEWEB)

    Mehlorn, R.J. [California Univ., Berkeley, CA (United States). Dept. of Materials Science and Mineral Engineering; Mendez, A.T. [Fundacion Educativa Ana G. Mendez, Rio Piedras (Puerto Rico); Higashi, R. [California Univ., Bodega Bay, CA (United States). Bodega Marine Lab.; Fan, T. [California Univ., Davis, CA (United States)

    1992-08-01

    Freeze-dried homogenates of the oyster Crassostrea rhizophorae collected from waters in Puerto Rico near urban and industrial sites as well as at relatively pristine locations yielded electron spin resonance (ESR) spectra characteristic of free radicals as well as spectral components of transition metal ions, dominated by manganese. The magnitudes of these ESR signals and the concentrations of trace elements (determined by X-ray fluorescence) varied considerably among oyster samples, masking any potential correlation with polluted waters. Laboratory studies were initiated to identify the factors controlling the magnitudes of the tissue free radical ESR signals. Another mollusc, Mytilus californianus collected at the Bodega Marine laboratory in northern California, was fractionated into goneds and remaining tissue. Freeze-dried homogenates of both fractions exhibited ESR signals that increased gradually with time. ESR signals were observed in freeze-dried perchloric acid (PCA) precipitates of the homogenates, delipidated PCA precipitates, and in chloroform extracts of these precipitates. Acid hydrolysis to degrade proteins to amino acids produced a residue, which yielded much larger ESR free radical signals after freeze-drying. Freshly thawed homogenates of Crassostrea rhizophorae also exhibited ESR signals. A laboratory model of copper stress in Crassostrea rhizophorae was developed to study the effect of this transition metal on dssue free radicals. Preliminary results suggested that sublethal copper exposure had little effect on tissue fire radicals, except possibly for a signal enhancement in an oyster fraction that was enriched in kidney granules. Since kidney granules are known to accumulate heavy metals in mussels and probably other marine bivalves, this signal enhancement may prove to be an indicator of free radical processes associated with heavy metal deposition in molluscs.

  5. Synthesis, structural characterization, fluorescence, antimicrobial, antioxidant and DNA cleavage studies of Cu(II) complexes of formyl chromone Schiff bases.

    Science.gov (United States)

    Kavitha, P; Saritha, M; Laxma Reddy, K

    2013-02-01

    Cu(II) complexes have been synthesized from different Schiff bases, such as 3-((2-hydroxy phenylimino)methyl)-4H-chromen-4-one (HL(1)), 2-((4-oxo-4H-chromen-3-yl)methylneamino) benzoicacid (HL(2)), 3-((3-hydroxypyridin-2-ylimino)methyl)-4H-chromen-4-one (HL(3)) and 3-((2-mercaptophenylimino)methyl)-4H-chromen-4-one (HL(4)). The complexes were characterized by analytical, molar conductance, IR, electronic, magnetic, ESR, thermal, powder XRD and SEM studies. The analytical data reveal that metal to ligand molar ratio is 1:2 in all the complexes. Molar conductivity data indicates that all the Cu(II) complexes are neutral. On the basis of magnetic and electronic spectral data, distorted octahedral geometry is proposed for all the Cu(II) complexes. Thermal behaviour of the synthesized complexes illustrates the presence of lattice water molecules in the complexes. X-ray diffraction studies reveal that all the ligands and their Cu(II) complexes have triclinic system with different unit cell parameters. Antimicrobial, antioxidant and DNA cleavage activities indicate that metal complexes exhibited greater activity as compared with ligands.

  6. Synthesis, structural characterization, fluorescence, antimicrobial, antioxidant and DNA cleavage studies of Cu(II) complexes of formyl chromone Schiff bases

    Science.gov (United States)

    Kavitha, P.; Saritha, M.; Laxma Reddy, K.

    2013-02-01

    Cu(II) complexes have been synthesized from different Schiff bases, such as 3-((2-hydroxy phenylimino)methyl)-4H-chromen-4-one (HL1), 2-((4-oxo-4H-chromen-3-yl)methylneamino) benzoicacid (HL2), 3-((3-hydroxypyridin-2-ylimino)methyl)-4H-chromen-4-one (HL3) and 3-((2-mercaptophenylimino)methyl)-4H-chromen-4-one (HL4). The complexes were characterized by analytical, molar conductance, IR, electronic, magnetic, ESR, thermal, powder XRD and SEM studies. The analytical data reveal that metal to ligand molar ratio is 1:2 in all the complexes. Molar conductivity data indicates that all the Cu(II) complexes are neutral. On the basis of magnetic and electronic spectral data, distorted octahedral geometry is proposed for all the Cu(II) complexes. Thermal behaviour of the synthesized complexes illustrates the presence of lattice water molecules in the complexes. X-ray diffraction studies reveal that all the ligands and their Cu(II) complexes have triclinic system with different unit cell parameters. Antimicrobial, antioxidant and DNA cleavage activities indicate that metal complexes exhibited greater activity as compared with ligands.

  7. Optically detected ESR and low magnetic field signals from spin triads: 2-imidazoline-1-oxyl derivatives in X-irradiated alkane liquids as a method to study three-spin systems.

    Science.gov (United States)

    Sviridenko, Fyodor B; Stass, Dmitri V; Kobzeva, Tatyana V; Tretyakov, Evgeny V; Klyatskaya, Svetlana V; Mshvidobadze, Elena V; Vasilevsky, Sergey F; Molin, Yuri N

    2004-03-10

    This contribution reports the design and synthesis of a series of spin-labeled charge acceptors to produce three-spin systems of "radical ion/biradical ion" type in X-irradiated alkane liquids. This opens the way to study spin triads in experimental conditions, in which short-lived radical ion pairs are conventionally studied, thus offering optically detected techniques such as magneto-resonance OD ESR and level-crossing MARY spectroscopy. The structure of the synthesized 2-imidazoline-1-oxyl derivatives is A-Sp-R, where A is a positive or negative charge acceptor, R is a stable radical, and Sp is a hydrocarbon bridge. The set of 20+ compounds represent a convenient tool to construct experimental three-spin systems with various properties, e.g. with the "third" spin introduced into one or the other partner of the radical ion pair. The degree of exchange coupling between the two paramagnetic fragments in the biradical ion has been demonstrated to strongly depend on the type of the radical fragment R and the structure of the bridge Sp. As a result, a series of acceptors with systematically reduced exchange interaction has been synthesized, and optimal systems for the observation of low magnetic field effect have been found. In the most favorable case, an OD ESR signal from a spin triad living as short as ca. 100 ns has been registered as a single unresolved line. The exchange integral for this biradical anion (9) was estimated from OD ESR and ESR experiments to be ca. 10(3) G by the order of magnitude, which is much greater than the hyperfine couplings in the biradical ion but much smaller than the thermal energy kT.

  8. Charge ordering in Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3}: ESR and magnetometry study

    Energy Technology Data Exchange (ETDEWEB)

    Polishchuk, D.M.; Tovstolytkin, A.I. [Institute of Magnetism of NASU, 36b Vernadsky Boulevard, Kyiv 03680 (Ukraine); Fertman, E.L.; Desnenko, V.A.; Kravchyna, O. [B. Verkin Institute for Low Temperature Physics and Engineering of NASU, 47 Lenin Ave., Kharkov 61103 (Ukraine); Khalyavin, D.D. [ISIS Facility, STFC, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom); Salak, A.N. [Department of Materials and Ceramic Engineering/CICECO, University of Aveiro, Aveiro 3810-193 (Portugal); Anders, A.G. [V. N. Karazin Kharkiv National University, 4 Svobody sq., Kharkiv 61000 (Ukraine); Feher, A. [Institute of Physics, Faculty of Science, P. J. Šafárik University in Košice, Park Angelinum 9, Košice 04154 (Slovakia)

    2016-07-15

    The evolution of magnetic and electric properties of the narrow-band manganite Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3} was studied by the electron-spin resonance (ESR), static magnetic field (dc) and resistivity techniques in the temperature range of 100–380 K. It was found that below the charge ordering temperature, T{sub CO}≈212 K, the compound is a mixture of the charge ordered and charge disordered phases in varying proportions depending on the temperature. The exchange phase process, when the amount of the charge ordered phase increases under cooling, while the amount of the charge disordered phase decreases is the most intense between ∼220 K and 180 K. At low temperatures, T<160 K, the charge ordered to the charge disordered phase ratio is about 4:1, which is in excellent agreement with previous neutron diffraction data. Both a sharp decrease of the magnetic susceptibility and a huge resistivity increase are evident of the weakening of ferromagnetic correlations and suppression of the double exchange interaction across the charge ordering due to the localization of the charge carriers. - Highlights: • The electron spin resonance and magnetometry study of Nd{sub 2/3}Ca{sub 1/3}MnO{sub 3} compound has been done. • Phase segregated state of the compound below the charge ordering temperature was revealed. • Charge ordered and charge disordered phases in varying proportions depending on the temperature are coexistent. • The exchange phase process is the most intense between ~220 K and 180 K. • At low temperatures the charge ordered to the charge disordered phase ratio is about 4:1.

  9. Magnetic order and electronic properties of Li{sub 2}Mn{sub 2}(MoO{sub 4}){sub 3} material for lithium-ion batteries: ESR and magnetic susceptibility studies

    Energy Technology Data Exchange (ETDEWEB)

    Suleimanov, N.M. [E. K. Zavoisky Physical-Technical Institute of Russian Academy of Sciences, Kazan (Russian Federation); Kazan State Power Engineering University, Kazan (Russian Federation); Prabaharan, S.R.S. [VIT University, School of Electronics Engineering, Chennai (India); Khantimerov, S.M.; Nizamov, F.A. [E. K. Zavoisky Physical-Technical Institute of Russian Academy of Sciences, Kazan (Russian Federation); Michael, M.S. [SSN College of Engineering, Department of Chemistry, Chennai (India); Drulis, H.; Wisniewski, P. [Institute of Low Temperature and Structure Research of Polish Academy of Sciences, Wroclaw (Poland)

    2016-08-15

    We describe the application of electron spin resonance (ESR) and magnetic susceptibility methods to study the magnetic properties and valence state of transition metal ions in Li{sub 2}Mn{sub 2}(MoO4){sub 3} polyanion compound previously studied for its cathode-active properties in lithium containing batteries. ESR measurements of Li{sub 2}Mn{sub 2}(MoO{sub 4}){sub 3} have shown the presence of Mn{sup 2+} ions in the octahedral environment of oxygen ions. It is found that the part of manganese ions occupy the anti-site positions in lithium sublattice. The absence of the ESR signal from molybdenum ions indicates that they are non-magnetic and adopt the 6{sup +} valence state. Considerable overlapping between 3d orbitals of transition metal and 2p oxygen orbitals has been experimentally established. This leads to the indirect exchange interaction and antiferromagnetic ordering of manganese ions at 1.4 K. (orig.)

  10. ESR1/SYNE1 polymorphism and invasive epithelial ovarian cancer risk: an Ovarian Cancer Association Consortium study

    DEFF Research Database (Denmark)

    Doherty, Jennifer A; Rossing, Mary Anne; Cushing-Haugen, Kara L

    2010-01-01

    containing, nuclear envelope 1 (SYNE1), which is involved in nuclear organization and structural integrity, function of the Golgi apparatus, and cytokinesis. An isoform encoded by SYNE1 has been reported to be downregulated in ovarian and other cancers. rs2295190 was genotyped in an additional 12 studies...

  11. Effect of base stacking on the acid-base properties of the adenine cation radical [A*+] in solution: ESR and DFT studies.

    Science.gov (United States)

    Adhikary, Amitava; Kumar, Anil; Khanduri, Deepti; Sevilla, Michael D

    2008-08-06

    In this study, the acid-base properties of the adenine cation radical are investigated by means of experiment and theory. Adenine cation radical (A*(+)) is produced by one-electron oxidation of dAdo and of the stacked DNA-oligomer (dA)6 by Cl2*(-) in aqueous glass (7.5 M LiCl in H2O and in D2O) and investigated by ESR spectroscopy. Theoretical calculations and deuterium substitution at C8-H and N6-H in dAdo aid in our assignments of structure. We find the pKa value of A*(+) in this system to be ca. 8 at 150 K in seeming contradiction to the accepted value of or = 160 K, complete deprotonation of A*(+) occurs in dAdo in these glassy systems even at pH ca. 3. A*(+) found in (dA)6 at 150 K also deprotonates on thermal annealing. The stability of A*(+) at 150 K in these systems is attributed to charge delocalization between stacked bases. Theoretical calculations at various levels (DFT B3LYP/6-31G*, MPWB95, and HF-MP2) predict binding energies for the adenine stacked dimer cation radical of 12 to 16 kcal/mol. Further DFT B3LYP/6-31G* calculations predict that, in aqueous solution, monomeric A*(+) should deprotonate spontaneously (a predicted pKa of ca. -0.3 for A*(+)). However, the charge resonance stabilized dimer AA*(+) is predicted to result in a significant barrier to deprotonation and a calculated pKa of ca. 7 for the AA*(+) dimer which is 7 pH units higher than the monomer. These theoretical and experimental results suggest that A*(+) isolated in solution and A*(+) in adenine stacks have highly differing acid-base properties resulting from the stabilization induced by hole delocalization within adenine stacks.

  12. Dzyaloshinsky-Moriya Interaction and the Ground State in S = 3/2 Perfect Kagome Lattice Antiferromagnet KCr3(OH)6(SO4)2 (Cr-Jarosite) Studied by X-Band and High-Frequency ESR

    Science.gov (United States)

    Okubo, Susumu; Nakata, Ryohei; Ikeda, Shohei; Takahashi, Naoki; Sakurai, Takahiro; Zhang, Wei-Min; Ohta, Hitoshi; Shimokawa, Tokuro; Sakai, Tôru; Okuta, Koji; Hara, Shigeo; Sato, Hirohiko

    2017-02-01

    A single-crystal S = 3/2 perfect kagome lattice antiferromagnet, KCr3(OH)6(SO4)2 (Cr-jarosite), has been studied by X-band and high-frequency electron spin resonance (ESR). The g-values perpendicular to the kagome plane (c-axis) and in the plane were determined to be gc = 1.9704 ± 0.0002 and gξ = 1.9720 ± 0.0003, respectively, by high-frequency ESR observed at 265 K. Antiferromagnetic resonances (AFMRs) with an antiferromagnetic gap of 120 GHz were observed at 1.9 K, which is below TN = 4.5 K. The analysis of AFMR modes using the conventional molecular field theory gave dp = 0.27 K and dz = 0.07 K, where dp and dz are in-plane and out-of-plane components of d vector of the Dzyaloshinsky-Moriya (DM) interaction, respectively. On the basis of these results and the exchange interaction of J = 6.15 K estimated by Okuta et al., the ground state of Cr-jarosite was discussed in connection with the Monte Carlo simulation results with classical Heisenberg spins on the kagome lattice by Elhajal et al. Finally, the angular dependence of the linewidth and lineshape observed at 296 K by X-band ESR showed the typical behavior of a two-dimensional Heisenberg antiferromagnet, suggesting the good two-dimensionality of Cr-jarosite.

  13. Magnetization and ESR studies of La{sub 0.67}(Ca{sub 1−x}Mg{sub x}){sub 0.33}MnO{sub 3} systems

    Energy Technology Data Exchange (ETDEWEB)

    Sendil Kumar, A., E-mail: sendilphy@gmail.com [School of Physics, University of Hyderabad, Hyderabad, Telangana, 500 046 (India); Ravinder Reddy, K [School of Engineering Sciences & Technology, University of Hyderabad, Hyderabad, Telangana, 500 046 (India); Bhatnagar, Anil K. [School of Physics, University of Hyderabad, Hyderabad, Telangana, 500 046 (India); School of Engineering Sciences & Technology, University of Hyderabad, Hyderabad, Telangana, 500 046 (India)

    2015-08-05

    Highlights: • Mg substitution reduces the ferromagnetic strength. • Inhomogeneous broadening is due to phase separation. • Griffiths phase existence is probed. - Abstract: Magnetization studies and line shape analysis on Electron Spin Resonance (ESR) spectra of La{sub 0.67}(Ca{sub 1−x}Mg{sub x}){sub 0.33}MnO{sub 3} are carried out. In paramagnetic phase well above T{sub c}, the ESR spectra are single Lorentzian but below and near T{sup ∗}{sub ΔHPP}, (T{sup ∗}{sub ΔHPP} is temperature at which line width is minimum) inhomogeneous broadening with asymmetry in the signal is observed due to phase separation. The resonance field below T{sup ∗}{sub ΔHPP} decreases with decreasing temperature. Above T{sub c} the intensity of the ESR spectra obeys the thermally activated model (Arrhenius behavior). Substitution of Mg weakens the ferromagnetic interaction and evolution of change in lineshape near T{sub c} is an evidence of Griffiths phase (coexistence of paramagnetic and ferromagnetic) in Mg doped LCMO system.

  14. On Cu(II) Cu(II) distance measurements using pulsed electron electron double resonance

    Science.gov (United States)

    Yang, Zhongyu; Becker, James; Saxena, Sunil

    2007-10-01

    The effects of orientational selectivity on the 4-pulse electron electron double resonance (PELDOR) ESR spectra of coupled Cu(II)-Cu(II) spins are presented. The data were collected at four magnetic fields on a poly-proline peptide containing two Cu(II) centers. The Cu(II)-PELDOR spectra of this peptide do not change appreciably with magnetic field at X-band. The data were analyzed by adapting the theory of Maryasov, Tsvetkov, and Raap [A.G. Maryasov, Y.D. Tsvetkov, J. Raap, Weakly coupled radical pairs in solids:ELDOR in ESE structure studies, Appl. Magn. Reson. 14 (1998) 101-113]. Simulations indicate that orientational effects are important for Cu(II)-PELDOR. Based on simulations, the field-independence of the PELDOR data for this peptide is likely due to two effects. First, for this peptide, the Cu(II) g-tensor(s) are in a very specific orientation with respect to the interspin vector. Second, the flexibility of the peptide washes out the orientation effects. These effects reduce the suitability of the poly-proline based peptide as a good model system to experimentally probe orientational effects in such experiments. An average Cu(II)-Cu(II) distance of 2.1-2.2 nm was determined, which is consistent with earlier double quantum coherence ESR results.

  15. Comparison of the DAS28-CRP and DAS28-ESR in patients with rheumatoid arthritis.

    Science.gov (United States)

    Sengul, Ilker; Akcay-Yalbuzdag, Seniz; Ince, Bugra; Goksel-Karatepe, Altinay; Kaya, Taciser

    2015-07-01

    To compare the Disease Activity Score with 28 joint (DAS28) using erythrocyte sedimentation rate (ESR) (DAS28-ESR) and DAS28 using C-reactive protein (CRP) (DAS28-CRP) with thresholds validated for DAS28-ESR in Turkish patients with rheumatoid arthritis. The DAS28 data of 112 patients with rheumatoid arthritis followed in a local outpatient clinic were used. First, the correlation between DAS28-CRP and DAS28-ESR and the correlation between their unique components ([0.36 × In (CRP + 1) + 0.96] and [0.70 × In (ESR)]) were analyzed. Second, a Bland-Altman plot was constructed for the evaluation of the level of agreement between DAS28-CRP and DAS28-ESR. Lastly, the agreement between these two methods was analyzed by κ coefficient. Although there was a strong correlation between DAS28-CRP and DAS28-ESR, the correlation between their unique components was fair. Although more than 95% of the point data fall between the upper and lower bounds of the limit of agreement, the percentage error (46%) was higher than the acceptable proportion of 30%. The κ coefficient of agreement between DAS28- ESR and DAS28-CRP with validated thresholds for DAS28-ESR was 0.42, which was close to the lower boundary for moderate agreement. The results of this study demonstrated that there is discordance between DAS28-ESR and DAS28-CRP with the validated thresholds for DAS28-ESR. Using the DAS28-CRP with threshold values validated for DAS28-ESR may lead to errors in the determination of disease activity and therefore may lead to errors in the management of patients with rheumatoid arthritis. © 2015 Asia Pacific League of Associations for Rheumatology and Wiley Publishing Asia Pty Ltd.

  16. Interaction of Copper in CuZn-Superoxide Dismutase With Histidine

    Institute of Scientific and Technical Information of China (English)

    胡皆汉; 舒占永

    1994-01-01

    The interaction of CuZn-superoxide dismutase ( CuZn-SOD ) with the external histidine in aqueous solution has been studied in this work by ESR and NMR. It is found that the Cu(Ⅱ) of CuZn-SOD makes an exchanging interaction with the external substance in aqueous solution. Unlike in solid state, the Cu(Ⅱ) forms complex with external histidine, and keeps a motional equilibrium between the active centers and the complexes. Enzyme activity is also affected by this interaction. Some other amino acids are also discussed in this paper.

  17. CH{sub 3} and CD{sub 3} radicals isolated in argon: high resolution ESR spectra and analysis by three-dimensional quantum rotor model. A case study of low temperature quantum effects on radicals

    Energy Technology Data Exchange (ETDEWEB)

    Shiotani, Masaru; Yamada, Tomoya; Komaguchi, Kenji [Hiroshima Univ., Higashi-Hiroshima (Japan). Faculty of Engineering; Benetis, N.P.; Lund, A.; Soernes, A.R.

    1998-10-01

    The present study deals with high resolution isotropic ESR spectra of the CH{sub 3} and CD{sub 3} radicals isolated in solid argon matrix at low temperature from 4 K to 40 K. Argon gases mixed with methane (Ar/methane {approx_equal} 500 mole ratio) were condensed at the end of Suprasile ESR tube at 4.2 K. Methyl radicals were generated by X-ray irradiation at 4 K and subjected to an ESR study. The 6.0 K ESR spectrum of the CH{sub 4}/Ar system is shown in Fig. 1. For CH{sub 3} radical the {sup 1}H hyperfine (hf) quartet was observed with an equal intensity (A-lines). The E-lines were absent at 4 K, but became visible at m{sub F} = {+-}1/2 positions above 12 K increased with temperature. The CD{sub 3} gave a peculiar spectrum at 4 K with an abnormally strong central singlet superimposed on a much weaker seven line spectrum of a freely rotating CD{sub 3}. The temperature dependent spectra showed clear quantum effects due to three-dimensional spin-rotation couplings. The spectra were analyzed with the following assumptions: (a) a planar D{sub 3} geometry, (b) a free and three-dimensional quantum rotation and (c) a thermally isolated radical. Application of the Pauli principle in combination to the D{sub 3} point group resulted in interesting selections for ESR-transitions for both the CH{sub 3} and CD{sub 3} spectra. That is, the {sup 1}H hf quartet of CH{sub 3} radical (A-lines) was attributed to the rotational ground state, J=0, with totally symmetric A{sub 1} nuclear states. The central strong singlet of CD{sub 3} was attributed to one spin-rotation state with A{sub 2} antisymmetric nuclear states at the lowest rotational level of J=0. (author)

  18. Intronic SNP in ESR1 encoding human estrogen receptor alpha is associated with brain ESR1 mRNA isoform expression and behavioral traits.

    Science.gov (United States)

    Pinsonneault, Julia K; Frater, John T; Kompa, Benjamin; Mascarenhas, Roshan; Wang, Danxin; Sadee, Wolfgang

    2017-01-01

    Genetic variants of ESR1 have been implicated in multiple diseases, including behavioral disorders, but causative variants remain uncertain. We have searched for regulatory variants affecting ESR1 expression in human brain, measuring allelic ESR1 mRNA expression in human brain tissues with marker SNPs in exon4 representing ESR1-008 (or ESRα-36), and in the 3'UTR of ESR1-203, two main ESR1 isoforms in brain. In prefrontal cortex from subjects with bipolar disorder, schizophrenia, and controls (n = 35 each; Stanley Foundation brain bank), allelic ESR1 mRNA ratios deviated from unity up to tenfold at the exon4 marker SNP, with large allelic ratios observed primarily in bipolar and schizophrenic subjects. SNP scanning and targeted sequencing identified rs2144025, associated with large allelic mRNA ratios (p = 1.6E10-6). Moreover, rs2144025 was significantly associated with ESR1 mRNA levels in the Brain eQTL Almanac and in brain regions in the Genotype-Tissue Expression project. In four GWAS cohorts, rs2104425 was significantly associated with behavioral traits, including: hypomanic episodes in female bipolar disorder subjects (GAIN bipolar disorder study; p = 0.0004), comorbid psychological symptoms in both males and females with attention deficit hyperactivity disorder (GAIN ADHD, p = 0.00002), psychological diagnoses in female children (eMERGE study of childhood health, subject age ≥9, p = 0.0009), and traits in schizophrenia (e.g., grandiose delusions, GAIN schizophrenia, p = 0.0004). The first common ESR1 variant (MAF 12-33% across races) linked to regulatory functions, rs2144025 appears conditionally to affect ESR1 mRNA expression in the brain and modulate traits in behavioral disorders.

  19. ESR and iron status in pregnancy.

    Science.gov (United States)

    Madan, N; Kapoor, S; Rusia, U; Sharma, S; Nayyar, V L; Sundaram, K R; Sood, S K

    1997-10-01

    ESR (Westergen) correlated significantly with the iron status (as measured by Hb concentration, haematocrit, red cell count, MCH, P/H ratio, serum iron, TIBC and percent saturation of transferrin) in a group of pregnant women (PW) at term. Serum ferritin correlated negatively with the ESR but the correlation was not statistically significant. Serum ferritin levels of or = 50 mm 1st hour and 5 (19.2%) PW with ESR or = 50 mm 1st hour in 50% and 50 micrograms/L had ESR > or = 50 mm 1st hour, suggesting the possible effect of chronic infection in raising ferritin levels in these PW.

  20. Molecular dynamics study of Cu-Pd ordered alloys

    Directory of Open Access Journals (Sweden)

    S. Özdemir Kart

    2008-11-01

    Full Text Available Purpose: The goal of the paper is to study the molecular dynamics of Cu-Pd ordered alloys.Design/methodology/approach: The thermal and mechanical properties of Cu, Pd pure metals and their ordered intermetallic alloys of Cu3Pd(L12 and CuPd3(L12 are studied by using the molecular dynamics simulation. The melting behavior of the metals considered in this work is studied by utilizing quantum Sutton-Chen (Q-SC many-body potential. The effects of temperature and concentration on the physical properties of Cu-Pd system are analyzed.Findings: A wide range of properties of Cu, Pd pure metals and their Cu3Pd and CuPd3 ordered intermetallics is presented. It was found that this potential is suitable to give the general characteristics of the melting process in these systems. Practical implications: The simulation results such as cohesive energy, density, elastic constants, bulk modulus, heat capacity, thermal expansion and melting points are in good agreement with the available experimental data and other theoretical calculations.Originality/value: To the best our knowledge this work presents, for the first time, a wide range of physical properties of alloys focusing on Cu-Pd ordered compounds.

  1. ESR1 mutations: Moving towards guiding treatment decision-making in metastatic breast cancer patients

    NARCIS (Netherlands)

    L. Angus (Lindsay); N. Beije (Nick); A. Jäger (A.); J.W.M. Martens (John W. M.); S. Sleijfer (Stefan)

    2017-01-01

    textabstractMutations in the gene coding for the estrogen receptor (ER), ESR1, have been associated with acquired endocrine resistance in patients with ER-positive metastatic breast cancer (MBC). Functional studies revealed that these ESR1 mutations lead to constitutive activity of the ER, meaning t

  2. ESR1 mutations: Moving towards guiding treatment decision-making in metastatic breast cancer patients.

    Science.gov (United States)

    Angus, Lindsay; Beije, Nick; Jager, Agnes; Martens, John W M; Sleijfer, Stefan

    2017-01-01

    Mutations in the gene coding for the estrogen receptor (ER), ESR1, have been associated with acquired endocrine resistance in patients with ER-positive metastatic breast cancer (MBC). Functional studies revealed that these ESR1 mutations lead to constitutive activity of the ER, meaning that the receptor is active in absence of its ligand estrogen, conferring resistance against several endocrine agents. While recent clinical studies reported that the occurrence of ESR1 mutations is rare in primary breast cancer tumors, these mutations are more frequently observed in metastatic tissue and circulating cell-free DNA of MBC patients pretreated with endocrine therapy. Given the assumed impact that the presence of ESR1 mutations has on outcome to endocrine therapy, assessing ESR1 mutations in MBC patients is likely to be of significant interest to further individualize treatment for MBC patients. Here, ESR1 mutation detection methods and the most relevant pre-clinical and clinical studies on ESR1 mutations regarding endocrine resistance are reviewed, with particular interest in the ultimate goal of guiding treatment decision-making based on ESR1 mutations. Copyright © 2016 The Author(s). Published by Elsevier Ltd.. All rights reserved.

  3. 中压低ESR液体钽电容器电解质的研究%Study on the Electrolyte of Moderate Voltage Low ESR Wet Tantalum Capacitors

    Institute of Scientific and Technical Information of China (English)

    刘仲娥; 陈晓静; 宋金荣

    2003-01-01

    研究了两种去极化剂对液体钽电容器在高频电路中电性能的影响.实验表明对于100 V/100 μF的液体钽电容器的电解质中加入2#去极化剂可以在50 kHz频率下获得较低的等效串联电阻(ESR)和较高的电容量C.

  4. Association with litter size of new polymorphisms on ESR1 and ESR2 genes in a Chinese-European pig line

    Directory of Open Access Journals (Sweden)

    Rodriguez Carmen

    2007-02-01

    Full Text Available Abstract The objective of this study was to search for polymorphisms in the coding region of the estrogen receptors 1 and 2 (ESR1 and ESR2 and to analyze the effects of these variants and the well known intronic ESR1 Pvu II polymorphism on litter size in a Chinese-European pig line. We identified five silent single nucleotide polymorphisms (SNP in the ESR1 cDNA: c.669T > C (exon 3, c.1227C > T (exon 5, c.1452C > T (exon 7, c.1665T > C and c.1755A > G (exon 8. One pair of these SNP (c.1665T > C and c.1755A > G co-segregated in the analyzed line, and the SNP c.669T > C showed the same segregation pattern as the Pvu II polymorphism. These polymorphisms were tested in this study, although the c.1452C > T SNP within exon 7 was not analyzed due to its low informativeness. In the ESR2 cDNA, one missense SNP was found within exon 5, which caused an amino acid substitution in the coded protein: "c.949G > A (p.Val317Met" and was tested on sow litter size. Information on 1622 litter records from 408 genotyped sows was analyzed to determine whether these SNP influenced the total number of piglets born (TNB or the number of born alive (NBA. The polymorphisms ESR1: [Pvu II; c.669T > C], ESR1: [c.1665T > C; c.1755A > G] and ESR2: c.949G > A showed no statistically significant association with litter size. However, the ESR1: c.1227T allele was significantly associated with TNB. The additive substitution effect was estimated to be 0.40 piglets born per litter (P

  5. Effect of Cu Content on TiN-Cu Nanocomposite Film Properties: Structural and Hardness Studies

    Directory of Open Access Journals (Sweden)

    M. M. Larijani

    2013-06-01

    Full Text Available Titanium nitride-Copper (TiN-Cu nanocomposite films were deposited onto stainless steel substrate using hollow cathode discharge ion plating technique. The influence of Cu content in the range of 2-7 at.% on the microstructure, morphology and mechanical properties of deposited films were investigated. Structural properties of the films were studied by X-ray diffraction pattern. Topography of the deposited films was studied using atomic force microscopy. Film hardness was estimated by a triboscope nanoindentation system. However, X-ray photoelectron spectroscopy analysis was performed to study the surface chemical bonding states. It was found that addition of soft Cu phase above 2 at.% to TiN film drastically decreased the film hardness from 30 to 2.8 Gpa due to lubricant effect of segregated copper particles. X-ray photoelectron spectroscopy results showed that Cu and TiN phases grew separately. In our case,the formation of a solid solution or chemical bonding between Cu and Ti was rejected.

  6. Oxidation-stability studies of CuInSe2

    Science.gov (United States)

    Kazmerski, L. L.; Ireland, P. J.; Jamjoum, O.; Deb, S. K.; Sheldon, P.; Mickelsen, R. A.; Chen, W.; Bachmann, K.

    The oxidation of p-type single-crystal and thin-film polycrystalline CuInSe2 is investigated using complementary Auger electron spectroscopy (AES), secondary ion mass spectroscopy (SIMS) and X-ray photoelectron spectroscopy (XPS). The compositions of the thermally-grown oxides over the 150-300 C temperature range are found to be primarily In2O3, with some SeO2, estimated to be less than 10% by quantitative AES and XPS. The interface between the oxide and CuInSe2 is examined using AES and SIMS depth-compositional profiling in conjunction with XPS. Cu(x)Se is found to form at the interface. Angular-resolved XPS with an in-situ oxidation process is utilized to evaluate the initial oxidation of this Cu-ternary semiconductor. These studies confirm that Cu(x)Se forms during oxide growth.

  7. In-situ STM study of phosphate adsorption on Cu(111), Au(111) and Cu/Au(111) electrodes

    DEFF Research Database (Denmark)

    Schlaup, Christian; Horch, Sebastian

    2013-01-01

    The interaction of Cu(111), Au(111) and Cu-covered Au(111) electrodes with a neutral phosphate buffer solution has been studied by means of cyclic voltammetry (CV) and in situ electrochemical scanning tunneling microscopy (EC-STM). Under low potential conditions, both the Cu(111) and the Au(111...

  8. 玉山黑猪 ESR 和 FSH -β基因多态性及相关性状的研究%Study on Polymorphism of Genes ESR and FSH-βand Related Traits in Yushan Black Pig

    Institute of Scientific and Technical Information of China (English)

    万明春; 周泉勇; 霍俊宏; 李小光

    2014-01-01

    In this study , PCR-RFLP method was used to detect the polymorphisms of genes ESR and FSH-βin Yushan black pigs , and the relationship between the genic polymorphism and reproductive performance was analyzed .The results indicated that the genotypes AA , AB and BB of ESR gene in Yushan black pigs had the frequency of 0.417, 0.300 and 0.017 respectively;the litter size of various genotypes was different , and generally revealed the following sequence:BB>AB>AA.The number of pri-miparous piglets of genotype BB was 1.21 heads more than that of genotype AA , and 0.91 heads more than that of genotype AB . The number of multiparous piglets of BB was also more than that of AB and AA , but there were no significant differences in this a-mong 3 genotypes.The frequency of genotypes AA , AB and BB of FSH-βgene in Yushan black pigs was 0.567, 0.333 and 0. 100 respectively;there were differences in litter size among 3 genotypes, showing the trend of BB >AB>AA in general.The num-ber of primiparous piglets of BB was 0.80 heads more than that of AA (P0. 05).The genotype BB also had the highest multiparous piglets , but there were no significant differences among 3 genotypes.Both ESR gene and FSH-βgene had obvious additive genetic effect in the number of primiparous piglets and number of multiparous pig -lets (P<0.05).%采用PCR-RFLP方法对玉山黑猪的ESR基因和FSH-β基因多态性进行检测,并分析其与繁殖性能间的关系。结果表明,ESR基因的3种基因型AA、AB、BB在玉山黑猪中的频率分别为0.417、0.300、0.017,各基因型对应的产仔数存在差异,总体表现BB>AB>AA,其中初产仔猪数BB型多于AA型1.21头,多于AB型0.91头;BB型经产仔猪数也高于AB型和AA型,但3种基因型之间差异不显著。 FSH-β基因的3种基因型AA、AB、BB在玉山黑猪中的频率分别为0.567、0.333、0.100,各基因型对应的产仔数存在差异,总体表现BB>AB>AA

  9. UV-visible, Raman and E.S.R. studies of gamma-irradiated NiO-doped sodium metaphosphate glasses.

    Science.gov (United States)

    ElBatal, Fatma H; Morsi, Reham M; Ouis, Mona A; Marzouk, Samir Y

    2010-11-01

    UV-visible spectroscopic measurements of Ni-doped sodium phosphate glasses were carried out before and after successive gamma irradiation. The undoped glass reveals strong UV absorption originating from trace iron impurities. NiO-doped glasses show characteristic absorption bands due mainly to octahedral coordination of Ni(2+) ions. Gamma irradiation produces induced bands generated from intrinsic defects and extrinsic defects. The changes in the spectroscopic data are discussed in relation to the structural evolution caused by the changes in composition and coordination state of nickel ions. The change in the growth behaviour of the induced bands is related to the annihilation or approach saturation of these characteristic induced bands. Raman and E.S.R. spectroscopic measurements confirm the presence of nickel as Ni(2+) ions in octahedral state. Copyright © 2010 Elsevier B.V. All rights reserved.

  10. ESR technique for noninvasive way to quantify cyclodextrins effect on cell membranes

    Energy Technology Data Exchange (ETDEWEB)

    Grammenos, A., E-mail: A.Grammenos@ulg.ac.be [Laboratory of Biomedical Spectroscopy, Department of Physics, B5, University of Liege, Sart-Tilman (Belgium); Mouithys-Mickalad, A. [Center of Oxygen, Research and Development (CORD), Department of Chemistry, B6a, University of Liege, Sart-Tilman (Belgium); Guelluy, P.H.; Lismont, M. [Laboratory of Biomedical Spectroscopy, Department of Physics, B5, University of Liege, Sart-Tilman (Belgium); Piel, G. [Laboratory of Pharmaceutical Technology, Department of Pharmacy, CHU, B36, University of Liege, 1 Av. de l' Hopital (Belgium); Hoebeke, M. [Laboratory of Biomedical Spectroscopy, Department of Physics, B5, University of Liege, Sart-Tilman (Belgium)

    2010-07-30

    Research highlights: {yields} ESR: a new tool for cyclodextrins study on living cells. {yields} Cholesterol and phospholipid extraction by Rameb in a dose- and time-dependent way. {yields} Extracted phospholipids and cholesterol form stable aggregates. {yields} ESR spectra show that lipid rafts are damaged by Rameb. {yields} Quantification of the cholesterol extraction on cell membranes in a noninvasive way. -- Abstract: A new way to study the action of cyclodextrin was developed to quantify the damage caused on cell membrane and lipid bilayer. The Electron Spin Resonance (ESR) spectroscopy was used to study the action of Randomly methylated-beta-cyclodextrin (Rameb) on living cells (HCT-116). The relative anisotropy observed in ESR spectrum of nitroxide spin probe (5-DSA and cholestane) is directly related to the rotational mobility of the probe, which can be further correlated with the microviscosity. The use of ESR probes clearly shows a close correlation between cholesterol contained in cells and cellular membrane microviscosity. This study also demonstrates the Rameb ability to extract cholesterol and phospholipids in time- and dose-dependent ways. In addition, ESR spectra enabled to establish that cholesterol is extracted from lipid rafts to form stable aggregates. The present work supports that ESR is an easy, reproducible and noninvasive technique to study the effect of cyclodextrins on cell membranes.

  11. Synergic effects of NO and oxygen free radicals in the injury of ischemia-reperfused myocardium——ESR studies on NO free radicals generated from ischemia-reperfused myocardium

    Institute of Scientific and Technical Information of China (English)

    赵保路; 沈剑刚; 呼俊改; 万谦; 忻文娟

    1996-01-01

    The ESR signal of NO bound to hemoglobin was detected during the ischemia-reperfusion of myocardium with low temperature ESR technique, and the synergic effects of NO and oxygen free radicals in the injury of the process were studied with this technique. Oxygen free radicals and NO bound to β-subunit of hemoglobin (β-NO complex) could be detected simultaneously in the ischemia-reperfused myocardium. Those signals could not be detected from the normal myocardium even in the presence of L-arginme. However, those signals could be detected and were dose-dependent with L-arginine in the ischemia-reperfused myocardiums and the signal could be suppressed with the inhibitor of NO synthetase, NG-nitro-L-arginine methylester (NAME). Measurement of the activities of lactate dehydrogenase (LDH) and creatine kinase (CK) in the coronary artery effluent of ischemia-reperfused heart showed that L-arginine at lower concentration (<1 mmol/L) could protect the heart from the ischemia-reperfusion injury but at higher con

  12. Targeting ESR1-Mutant Breast Cancer

    Science.gov (United States)

    2015-09-01

    AWARD NUMBER: W81XWH-14-1-0359 TITLE: Targeting ESR1-Mutant Breast Cancer PRINCIPAL INVESTIGATOR: Dr. Sarat Chandarlapaty CONTRACTING...31 Aug 2015 4. TITLE AND SUBTITLE Targeting ESR1-Mutant Breast Cancer 5a. CONTRACT NUMBER 5b. GRANT NUMBER W81XWH-14-1-0359 5c. PROGRAM ELEMENT...mutations found in breast cancer using both structural and cell based assays. We have now have evidence for the effects of the most recurrent

  13. Study of Cu-Inhibitor State for Post-Chemical Mechanical Polishing Cleaning

    Science.gov (United States)

    Harada, Ken; Ito, Atsushi; Kawase, Yasuhiro; Suzuki, Toshiyuki; Hara, Makoto; Sakae, Rina; Kimura, Chiharu; Aoki, Hidemitsu

    2011-05-01

    In order to reduce corrosion on the Cu surface in post-chemical mechanical polishing (CMP) cleaning, controlling the state of inhibitor layers is indispensable. In this study, to investigate the behavior of inhibitor layers in the cleaning process, Cu-benzotriazole (BTA) layers on CuOX were analyzed by electrochemical measurements and surface analysis. Electrochemical measurements revealed that Cu(I)-BTA can prevent corrosion more efficiently than Cu(II)-BTA, and surface analysis revealed that the Cu(I)-BTA layer is thin, whereas the Cu(II)-BTA layer is bulky. The Cu(I)-BTA layer is effective in preventing corrosion of the Cu surface.

  14. ESR dating of the fault rocks

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hee Kwon [Kangwon National Univ., Chuncheon (Korea, Republic of)

    2004-01-15

    Past movement on faults can be dated by measurement of the intensity of ESR signals in quartz. These signals are reset by local lattice deformation and local frictional heating on grain contacts at the time of fault movement. The ESR signals then grow back as a result of bombardment by ionizing radiation from surrounding rocks. The age is obtained from the ratio of the equivalent dose, needed to produce the observed signal, to the dose rate. Fine grains are more completely reset during faulting, and a plot of age vs, grain size shows a plateau for grains below critical size : these grains are presumed to have been completely zeroed by the last fault activity. We carried out ESR dating of fault rocks collected near the Ulzin nuclear reactor. ESR signals of quartz grains separated from fault rocks collected from the E-W trend fault are saturated. This indicates that the last movement of these faults had occurred before the quaternary period. ESR dates from the NW trend faults range from 300ka to 700ka. On the other hand, ESR date of the NS trend fault is about 50ka. Results of this research suggest that long-term cyclic fault activity near the Ulzin nuclear reactor continued into the pleistocene.

  15. Determination of dosimetric and kinetic features of gamma irradiated solid calcium ascorbate dihydrate using ESR spectroscopy

    Science.gov (United States)

    Tuner, H.

    2013-01-01

    Effects of gamma radiation on solid calcium ascorbate dihydrate were studied using electron spin resonance (ESR) spectroscopy. Irradiated samples were found to present two specific ESR lines with shoulder at low and high magnetic field sides. Structural and kinetic features of the radicalic species responsible for experimental ESR spectrum were explored through the variations of the signal intensities with applied microwave power, variable temperature, high-temperature annealing and room temperature storage time studies. Dosimetric potential of the sample was also determined using spectrum area and measured signal intensity measurements. It was concluded that three radicals with different spectroscopic and kinetic features were produced upon gamma irradiation.

  16. Photoluminescence study of Cu diffusion in CdTe

    Energy Technology Data Exchange (ETDEWEB)

    Grecu, D.; Compaan, A.D. [Department of Physics, University of Toledo, Toledo, Ohio (United States)

    1999-03-01

    We report changes in the photoluminescence spectra associated with the diffusion of Cu in CdTe thin films used in CdTe/CdS solar cells. Films grown by vapor transport deposition and radio-frequency sputtering as well as single crystal CdTe were included in the study. The main effects of Cu diffusion appear to be the quenching of a donor-acceptor transition associated with Cd vacancies and the increase in intensity of a lower energy broad-band transition. The PL is subsequently used to explore the effects of electric fields on Cu diffusion. The role of Te as a diffusion barrier for Cu is investigated. {copyright} {ital 1999 American Institute of Physics.}

  17. ESR dating of Lymnaea baltica and Cerastoderma glaucum from low Ancylus level and transgressive Litorina Sea deposits

    Energy Technology Data Exchange (ETDEWEB)

    Molodkov, Anatoly [AN Ehstonskoj SSR, Tallin (Estonia). Inst. Geologii

    1996-11-01

    Freshwater gastropod (Lymnaea baltica) and brackish-water bivalve (Cerastoderma glaucum) shell samples from Ancylus Lake and Litorina Sea deposits on Hiiuma Island (north-west Estonia) were subjected to ESR measurements. All L. baltica shells studied were composed of calcite and displayed typical multicomponent ESR spectra. C. Glaucum shells normally show ESR spectra typical of aragonite with five radiation-induced lines. In the present work a C. glaucum with calcite-like spectra was encountered for the first time. The problem connected with accumulated palaeodose determination in shell fossils with unusual ESR spectra is highlighted. (author).

  18. Comparison of ESR1 Mutations in Tumor Tissue and Matched Plasma Samples from Metastatic Breast Cancer Patients

    Directory of Open Access Journals (Sweden)

    Takashi Takeshita

    2017-10-01

    Full Text Available BACKGROUND: ESR1 mutation in circulating cell-free DNA (cfDNA is emerging as a noninvasive biomarker of acquired resistance to endocrine therapy, but there is a paucity of data comparing the status of ESR1 gene in cfDNA with that in its corresponding tumor tissue. The objective of this study is to validate the degree of concordance of ESR1 mutations between plasma and tumor tissue. METHODS: ESR1 ligand-binding domain mutations Y537S, Y537N, Y537C, and D538G were analyzed using droplet digital PCR in 35 patients with metastatic breast cancer (MBC (35 tumor tissue samples and 67 plasma samples. RESULTS: Of the 35 paired samples, 26 (74.3% were concordant: one patient had detectable ESR1 mutations both plasma (ESR1 Y537S/Y537N and tumor tissue (ESR1 Y537S/Y537C, and 25 had WT ESR1 alleles in both. Nine (25.7% had discordance between the plasma and tissue results: five had mutations detected only in their tumor tissue (two Y537S, one Y537C, one D538G, and one Y537S/Y537N/D538G, and four had mutations detected only in their plasma (one Y537S, one Y537N, and two Y537S/Y537N/D538G. Furthermore, longitudinal plasma samples from 19 patients were used to assess changes in the presence of ESR1 mutations during treatment. Eleven patients had cfDNA ESR1 mutations over the course of treatment. A total of eight of 11 patients with MBC with cfDNA ESR1 mutations (72.7% had the polyclonal mutations. CONCLUSION: We have shown the independent distribution of ESR1 mutations between plasma and tumor tissue in 35 patients with MBC.

  19. ESR STUDY OF NEW TOCOPHEROXYL MODEL RADICAL%新生育酚氧模型自由基的ESR研究

    Institute of Scientific and Technical Information of China (English)

    冀亚飞; 魏贤勇

    1999-01-01

    对新生育酚(维生素E)模型化合物(生育酚1:2,2-二甲基-4-异丙基-7-特丁基-6-色满酚),在甲苯溶剂里以过氧化二叔丁基引发产生生育酚氧自由基进行电子自旋共振(ESR)波谱测试,获得质子超精细分裂(hfs)偶合常数和giso因子值.以获得的质子超精细分裂偶合常数进行了计算机图谱模拟.%Electron spin resonance measurement was performed for new tocopheroxyl model radical (7-t-butyl-4-isopropyl-2,2-dimethyl-6-chromanoxyl radical) obtained from a new tocopherol model compound initiated by di-t-butyl peroxide in toluene. The proton hyperfine coupling constants and giso-value were determined. The computer simulation spectrum was made by use of these hyperfine coupling constants.

  20. Light-Induced ESR Studies of Quadrimolecular Recombination Kinetics of Photogenerated Charge Carriers in Regioregular Poly(3-alkylthiophene)/C60 Composites: Alkyl Chain Dependence

    Science.gov (United States)

    Tanaka, Hisaaki; Hasegawa, Naoki; Sakamoto, Tomotaka; Marumoto, Kazuhiro; Kuroda, Shin-ichi

    2007-08-01

    Light-induced ESR (LESR) measurements have been performed on the composites of regioregular poly(3-alkylthiophene) (RR-P3AT) and C60 by using polymers having different alkyl chains (CmH2m+1 with m=6, 8, 10, 12). The quadrimolecular recombination (QR) kinetics of photogenerated charge carriers, previously reported, have been confirmed for all the composites from the excitation power (Iex) dependence of the LESR intensity showing an ˜Iex0.25 dependence. The time decay of LESR intensity is also consistent with the QR model. Considering that only bimolecular recombination is observed in regiorandom polymer composites, the occurrence of QR strongly suggests the formation of doubly charged states, either bipolarons or polaron pairs on the regioregular polymer chains. On the other hand, the QR rate constant γ has been found to exhibit weak alkyl chain dependence, contrary to the case of the field-effect mobility of pure regioregular polymers with systematic alkyl chain dependence. This implies the significant contribution of the polymer and fullerene interface in determining γ.

  1. In situ quantitative study of microstructural evolution at the interface of Sn3.0Ag0.5Cu/Cu solder joint during solid state aging

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hailong [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); An, Rong, E-mail: anr@hit.edu.cn [Key Laboratory of Micro-systems and Micro-structures Manufacturing, Harbin Institute of Technology, Ministry of Education, Harbin 150080 (China); Wang, Chunqing; Jiang, Zhi [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China)

    2015-06-15

    Highlights: • Cu dissolution during reflowing was mainly occurred under the gaps between scallops. • Though IMC growth was diffusion-controlled, consumption of Cu substrate was not. • Growth of Cu{sub 3}Sn layer in Sn3.0Ag0.5Cu/Cu solder joint was on the both sides. • Ag and Cu lead to a thinner Cu{sub 3}Sn layer due to inhibit the diffusion of Sn into Cu. - Abstract: In situ microstructural evolution at the interface of Sn3.0Ag0.5Cu/Cu solder joint during solid state aging was quantitatively studied by nanoindentation. The morphology of Cu{sub 6}Sn{sub 5} gradually altered from scallop type to layer type. Though the growth of IMCs was diffusion-controlled, the consumption of Cu substrate was not linear with the square root of aging time. At the initial stage of solid state aging, the Cu atoms essential to the growth of IMCs were mainly from the supersaturated solder matrix. When the Cu atoms from supersaturated solder matrix were exhausted, the Cu atoms for the growth of IMCs were primarily from the Cu substrate. In addition, the IMCs formed at this state were principally used to fill up the gaps between scallops. After the gaps disappeared, the consumption of Cu substrate slowed down. Furthermore, the growth of Cu{sub 3}Sn layer in Sn3.0Ag0.5Cu/Cu solder joint was on the both sides with layer type. Since the Sn atoms were inhibited to diffuse into the Cu substrate by the alloying elements of Ag and Cu, the thickness of Cu{sub 3}Sn layer in SnAgCu/Cu solder joint was much thinner than that in pure Sn/Cu solder joint.

  2. Synthesis, structural visualization, spectroscopic, and thermal studies of charge transfer Cu(II, Ni(II and Zn(II bromides-carbamide complexes at elevated temperature

    Directory of Open Access Journals (Sweden)

    Khlood Abou-Melha

    2015-09-01

    Full Text Available In the present study, the composition and structure of Cu(II, Ni(II and Zn(II compounds resulted from the chemical reactions of copper(II, nickel(II and zinc(II bromide salts with carbamide in aqueous media at 95 oC have been investigated, using IR, electron spin resonance ESR and x-ray powder diffraction spectroscopy as well as thermal analysis TG/DTG/DSC. The Cu2(OH3Br, [Ni2(NCO2(H2O2(Br2], and ZnCO3.xH2O compounds were achieved by a novel synthetic route through with a low cost precursor like carbamide. The infrared spectra of the results indicate absence of the individual bands of carbamide, but exhibited of the distinguished bands of hydroxyl, isocyanate, NCO, and ionic carbonate, CO32– for Cu(II, Ni(II and Zn(II compounds, respectively. Visualized investigations were performed to confirm crystal structure, validity and stability of the product compounds. A general reaction mechanisms describing the preparation of Cu(II, Ni(II, and Zn(II compounds were discussed.

  3. Estrogen Receptor Alpha (ESR1-Dependent Regulation of the Mouse Oviductal Transcriptome.

    Directory of Open Access Journals (Sweden)

    Katheryn L Cerny

    Full Text Available Estrogen receptor-α (ESR1 is an important transcriptional regulator in the mammalian oviduct, however ESR1-dependent regulation of the transcriptome of this organ is not well defined, especially at the genomic level. The objective of this study was therefore to investigate estradiol- and ESR1-dependent regulation of the transcriptome of the oviduct using transgenic mice, both with (ESR1KO and without (wild-type, WT a global deletion of ESR1. Oviducts were collected from ESR1KO and WT littermates at 23 days of age, or ESR1KO and WT mice were treated with 5 IU PMSG to stimulate follicular development and the production of ovarian estradiol, and the oviducts collected 48 h later. RNA extracted from whole oviducts was hybridized to Affymetrix Genechip Mouse Genome 430-2.0 arrays (n = 3 arrays per genotype and treatment or reverse transcribed to cDNA for analysis of the expression of selected mRNAs by real-time PCR. Following microarray analysis, a statistical two-way ANOVA and pairwise comparison (LSD test revealed 2428 differentially expressed transcripts (DEG's, P < 0.01. Genotype affected the expression of 2215 genes, treatment (PMSG affected the expression of 465 genes, and genotype x treatment affected the expression of 438 genes. With the goal of determining estradiol/ESR1-regulated function, gene ontology (GO and bioinformatic pathway analyses were performed on DEG's in the oviducts of PMSG-treated ESR1KO versus PMSG-treated WT mice. Significantly enriched GO molecular function categories included binding and catalytic activity. Significantly enriched GO cellular component categories indicated the extracellular region. Significantly enriched GO biological process categories involved a single organism, modulation of a measurable attribute and developmental processes. Bioinformatic analysis revealed ESR1-regulation of the immune response within the oviduct as the primary canonical pathway. In summary, a transcriptomal profile of estradiol- and

  4. Dynamics of CO{sub 2}{sup -} radiation defects in natural calcite studied by ESR, electron spin echo and electron spin relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Wencka, M; Lijewski, S; Hoffmann, S K [Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznan (Poland)], E-mail: mwencka@ifmpan.poznan.pl

    2008-06-25

    ESR spectra were recorded in the X-band (9.6 GHz) and in the W-band (94 GHz) and electron spin relaxation was measured by electron spin echo (ESE) in the temperature range 4.2-300 K for radicals in natural calcite samples obtained from a cave stalactite and a dripstone layer. Four types of carbonate radical spectra and two sulfate radical spectra were identified and high accuracy g-factors were derived. Time and temperature behaviour of the spectra show that the dominating CO{sub 2}{sup -} radicals are rigidly bonded or undergo free reorientations, whereas CO{sub 3}{sup -}, SO{sub 2}{sup -} and SO{sub 3}{sup -} only undergo free reorientations. Below 200 K the free reorientations of CO{sub 2}{sup -} are suppressed and a hindered rotation around single local axis appears. The ESE detected spectrum proves that the lines of free rotating radicals are homogeneously broadened, thus they cannot participate in electron spin echo formation. Spin-lattice relaxation data show that CO{sub 2}{sup -} radicals are decoupled from lattice phonons and relax via local mode tunnelling motion between inequivalent oxygen positions of CO{sub 2}{sup -} molecules. The tunnelling appears in two excited vibrational states of energy 71 and 138 cm{sup -1}. Librational motions of CO{sub 2}{sup -} molecules were detected by electron spin echo decay (phase relaxation) with energy 153 cm{sup -1}. Two kinds of impurity hydrogen atoms were distinguished from ESEEM: in-water inclusions and water coordinated to the calcium ions.

  5. Identification of irradiated sage tea (Salvia officinalis L.) by ESR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tepe Cam, Semra, E-mail: stepe06@gmail.co [Gazi University, Faculty of Medicine, Biophysics Department, 06500 Besevler, Ankara (Turkey); Engin, Birol [Turkish Atomic Energy Authority, Saraykoey Nuclear Research and Training Center, 06983 Ankara (Turkey)

    2010-04-15

    The use of electron spin resonance (ESR) spectroscopy to accurately distinguish irradiated from unirradiated sage tea was examined. Before irradiation, sage tea samples exhibit one asymmetric singlet ESR signal centered at g=2.0037. Besides this central signal, two weak satellite signals situated about 3 mT left and right to it in radiation-induced spectra. Irradiation with increasing doses caused a significant increase in radiation-induced ESR signal intensity at g=2.0265 (the left satellite signal) and this increase was found to be explained by a polynomial varying function. The stability of that radiation-induced ESR signal at room temperature was studied over a storage period of 9 months. Also, the kinetic of signal at g=2.0265 was studied in detail over a temperature range 313-353 K by annealing samples at different temperatures for various times.

  6. Identification of irradiated sage tea ( Salvia officinalis L.) by ESR spectroscopy

    Science.gov (United States)

    Tepe Çam, Semra; Engin, Birol

    2010-04-01

    The use of electron spin resonance (ESR) spectroscopy to accurately distinguish irradiated from unirradiated sage tea was examined. Before irradiation, sage tea samples exhibit one asymmetric singlet ESR signal centered at g=2.0037. Besides this central signal, two weak satellite signals situated about 3 mT left and right to it in radiation-induced spectra. Irradiation with increasing doses caused a significant increase in radiation-induced ESR signal intensity at g=2.0265 (the left satellite signal) and this increase was found to be explained by a polynomial varying function. The stability of that radiation-induced ESR signal at room temperature was studied over a storage period of 9 months. Also, the kinetic of signal at g=2.0265 was studied in detail over a temperature range 313-353 K by annealing samples at different temperatures for various times.

  7. ESR measurements of background doses in teeth of Japanese residents

    Energy Technology Data Exchange (ETDEWEB)

    Toyoda, S., E-mail: toyoda@dap.ous.ac.jp [Department of Applied Physics, Okayama University of Science, Okayama (Japan); Kondo, A. [Department of Applied Physics, Okayama University of Science, Okayama (Japan); Zumadilov, K.; Hoshi, M. [Research Institute of Radiation Biology and Medicine, Hiroshima University, Hiroshima (Japan); Miyazawa, C. [Deparment of Dentistry, Ohu University, Fukushima (Japan); Ivannikov, A. [Medical Radiological Research Center, Obninsk (Russian Federation)

    2011-09-15

    The background doses for the teeth of Japanese residents were obtained by electron spin resonance (ESR) method. The doses obtained from 77 of 92 samples are less than 100 mGy while the doses of the other samples are high up to 250 mGy. The doses for buccal part of the teeth are higher than lingual part possibly due to contributions from dental X ray examination. A positive correlation was found between the ages of the donors and the obtained doses. The averaged annual ESR dose was calculated to be 0.87 mGy/y. These doses have to be considered in actual retrospective dosimetry studies for possible radiation accidents. The statistically significant critical level for Japanese residents would be about 200 mGy for individual doses and about 100 mGy for averaged group doses for {alpha} = 5% for those with ages older than 50.

  8. Exponential stretch-rotation (ESR) formulation of general relativity

    CERN Document Server

    Khokhlov, A M

    2003-01-01

    We study a tensorial exponential transformation of a three-dimensional metric of space-like hypersurfaces embedded in a four-dimensional space-time, $\\gamma_{ij} = e^{\\epsilon_{ikm}\\theta_m} e^{\\phi_k} e^{-\\epsilon_{jkn}\\theta_n}$, where $\\phi_k$ are logarithms of the eigenvalues of $\\gamma_{ij}$, $\\theta_k$ are rotation angles, and $\\epsilon_{ijk}$ is a fully anti-symmetric symbol. Evolution part of Einstein's equations, formulated in terms of $\\phi_k$ and $\\theta_k$, describes time evolution of the metric at every point of a hyper-surface as a continuous stretch and rotation of a local coordinate system in a tangential space. The exponential stretch-rotation (ESR) transformation generalizes particular exponential transformations used previously in cases of spatial symmetry. The ESR 3+1 formulation of Einstein's equations may have certain advantages for long-term stable integration of these equations.

  9. Photoemission study of CuO and Cu sub 2 O single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Z. (Stanford Electronics Laboratory, Stanford University, Stanford, CA (USA)); List, R.S. (Los Alamos National Laboratory, Los Alamos, NM (USA)); Dessau, D.S. (Stanford Electronics Laboratory, Stanford University, Stanford, CA (USA)); Parmigiani, F. (IBM Almaden Research Center, San Jose, CA (USA)); Arko, A.J.; Bartlett, R. (Los Alamos National Laboratory, Los Alamos, NM (USA)); Wells, B.O.; Lindau, I.; Spicer, W.E. (Stanford Electronics Laboratory, Stanford University, Stanford, CA (USA))

    1990-11-01

    We present results of resonant-photoemission and high-resolution x-ray-photoemission-spectroscopy (XPS) studies on single-crystalline CuO, which confirms most of the earlier data obtained from polycrystalline samples. However, some minor differences with earlier results were also observed, which are concentrated on a mainly oxygen-related feature. The important first ionization state is much better resolved in our high-resolution XPS data, and is found to have both copper and oxygen orbital character. This is consistent (though not a proof) with the theoretical prediction that the first ionization state is a {sup 1}{ital A}{sub 1{ital g}} singlet with holes on both oxygen and copper sites. The 16-eV satellite is found to show a Cu antiresonance, and is assigned to a {sup 1}{ital A}{sub 1{ital g}} singlet with both holes on the copper sites.

  10. Surface studies by low energy ion beams: Cu/Ru(0001) and Cu/O/Ru(0001)

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Y.G.; O`Connor, D.J.; MacDonald, R.J. [Newcastle Univ., NSW (Australia). Dept. of Physics; Wandelt, H. [Institut fur Physikalische und Theoretische Chemie der Universitat Bonn, Bonn (Germany).; Zee, H. van [Eindhoven University of Technology, Eindhoven (Netherlands) Dept. of Physics

    1993-12-31

    The surface structure of Cu on Ru(OOO1) has been studied by low energy Li{sup +} ion scattering. It was found that Cu forms pseudomorphic islands for two layers. The effects of Cu on an O-precovered RU(OOO1) surface has also been investigated using keV He{sup +} ions. The results show that during the deposition of Cu, O is displaced from the Ru surface and migrated onto the top of the surface of the growing overlayer. The floated out O has been tested, showing a disordered overlayer. 5 refs., 3 figs.

  11. Targeting ESR1-Mutant Breast Cancer

    Science.gov (United States)

    2015-09-01

    cell line, biochemical and structural biology techniques to uncover the best candidate drugs for the clinical targeting of these mutants. Targeting...ESR1-­‐Mutant  Breast  Cancer   W81XWH-­‐14-­‐1-­‐0360   4   2. Keywords Estrogen Receptor Acquired Drug Resistance Metastatic Breast...preparations for publication: 1) “ESR1 Somatic Mutations Y537S and D538G Confer Breast Cancer Endocrine Resistance by Stabilizing the Active AF-2 conformation

  12. Synthesis, Spectral Characterization, DNA/ Protein Binding, DNA Cleavage, Cytotoxicity, Antioxidative and Molecular Docking Studies of Cu(II)Complexes Containing Schiff Base-bpy/Phen Ligands.

    Science.gov (United States)

    Anupama, Berelli; Aruna, Airva; Manga, Vijjulatha; Sivan, Sreekanth; Sagar, Madamsetty Vijay; Chandrashekar, Ravula

    2017-05-01

    Ternary Cu(II) complexes [Cu(II)(L)(bpy)Cl] 1, [Cu(II)(L)(Phen)Cl] 2 [L = 2,3-dimethyl-1-phenyl-4(2 hydroxy-5-methyl benzylideneamino)-pyrazol-5-one, bpy = 2,2(') bipyridine, phen =1,10 phenanthroline) were synthesized and characterized by elemental analyses, UV-Visible, FT-IR, ESR, Mass, thermogravimetric and SEM EDAX techniques. The complexes exhibit octahedral geometry. The interaction of the Cu(II) with cailf thymus DNA (CT-DNA) was explored by using absorption and fluorescence spectroscopic methods. The results revealed that the complexes have an affinity constant for DNA in the order of 10(4) M(-1) and mode of interaction is intercalative mode. The DNA cleavage study showed that the complexes cleaved DNA without any external agent. The interaction of Cu(II) complexes with bovine serum albumin (BSA) was also studied using absorption and fluorescence techniques. The cytotoxic activity of the Cu(II) complexes was probed in HeLa (human breast adenocarcinoma cell line), B16F10 (Murine melanoma cell line) and HEPA1-6 celllines, complex 1 has good cytotoxic activity which is comparable with the doxarubicin drug, with IC50 values ranging from 3 to 12.6 μM. A further molecular docking technique was employed to understand the binding of the complexes towards the molecular target DNA. Investigation of the antioxidative properties showed that the metal complexes have significant radical scavenging activity potency against DPPH radical.

  13. Synthesis, characterization, in vitro antimicrobial and DNA cleavage studies of Co(II), Ni(II) and Cu(II) complexes with ONOO donor coumarin Schiff bases

    Science.gov (United States)

    Patil, Sangamesh A.; Unki, Shrishila N.; Kulkarni, Ajaykumar D.; Naik, Vinod H.; Badami, Prema S.

    2011-01-01

    A series of Co(II), Ni(II) and Cu(II) complexes have been synthesized with Schiff bases derived from 2-hydroxy-1-naphthaldehyde and 2-oxo-2H-chromene-3-carbohydrazide/6-bromo-2-oxo-2H-chromene-3-carbohydrazide. The chelation of the complexes has been proposed in the light of analytical, spectral (IR, UV-Vis, 1H NMR, ESR, FAB-mass and fluorescence), magnetic and thermal studies. The measured molar conductance values indicate that, the complexes are non-electrolytic in nature. The redox behavior of the complexes was investigated with electrochemical method by using cyclic voltammetry. The Schiff bases and their metal complexes have been screened for their in vitro antibacterial ( Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Salmonella typhi) and antifungal activities ( Candida albicans, Cladosporium and Aspergillus niger) by MIC method. The DNA cleavage is studied by agarose gel electrophoresis method.

  14. Magnetic phase coexistence in CMR manganites: ESR evidence

    Energy Technology Data Exchange (ETDEWEB)

    Ccahuana, D. Laura [Instituto Balseiro, Universidad Nacional de Cuyo and Comision Nacional de Energia Atomica and Centro Atomico Bariloche, Comision Nacional de Eenrgia Atomica. Av. Ezequiel Bustillo 9500, 8400 San Carlos de Bariloche, Rio Negro (Argentina)]. E-mail: ccahuana@cab.cnea.gov.ar; Winkler, E. [Instituto Balseiro, Universidad Nacional de Cuyo and Comision Nacional de Energia Atomica and Centro Atomico Bariloche, Comision Nacional de Eenrgia Atomica. Av. Ezequiel Bustillo 9500, 8400 San Carlos de Bariloche, Rio Negro (Argentina); Prado, F. [Instituto Balseiro, Universidad Nacional de Cuyo and Comision Nacional de Energia Atomica and Centro Atomico Bariloche, Comision Nacional de Eenrgia Atomica. Av. Ezequiel Bustillo 9500, 8400 San Carlos de Bariloche, Rio Negro (Argentina); Butera, A. [Instituto Balseiro, Universidad Nacional de Cuyo and Comision Nacional de Energia Atomica and Centro Atomico Bariloche, Comision Nacional de Eenrgia Atomica. Av. Ezequiel Bustillo 9500, 8400 San Carlos de Bariloche, Rio Negro (Argentina); Ramos, C.A. [Instituto Balseiro, Universidad Nacional de Cuyo and Comision Nacional de Energia Atomica and Centro Atomico Bariloche, Comision Nacional de Eenrgia Atomica. Av. Ezequiel Bustillo 9500, 8400 San Carlos de Bariloche, Rio Negro (Argentina); Causa, M.T. [Instituto Balseiro, Universidad Nacional de Cuyo and Comision Nacional de Energia Atomica and Centro Atomico Bariloche, Comision Nacional de Eenrgia Atomica. Av. Ezequiel Bustillo 9500, 8400 San Carlos de Bariloche, Rio Negro (Argentina); Tovar, M. [Instituto Balseiro, Universidad Nacional de Cuyo and Comision Nacional de Energia Atomica and Centro Atomico Bariloche, Comision Nacional de Eenrgia Atomica. Av. Ezequiel Bustillo 9500, 8400 San Carlos de Bariloche, Rio Negro (Argentina)

    2004-12-31

    The coexistence of magnetic phases in colossal magnetoresistant (CMR) manganites is characteristic of this family of compounds. We studied this phenomenon in a hole doped sample of La{sub 0.75}Ca{sub 0.25}MnO{sub 3} by means of magnetization measurements and electron spin resonance (ESR) technique. The magnetic transition at T{sub c}=220 K was determined as the maximum slope in the M(T) curve. Above 250 K the ESR spectrum consists of a single lorentzian line centered at g=1.99(1). The ESR resonance splits below 250 K and a second resonance, of FM character, is present with a T dependent resonance field (H{sub r}). When T decreases, H{sub r} diminishes for the FM line while the PM line remains essentially centered at a constant H{sub r}. At the same time, a continuous transference of intensity takes place, from the PM line to the FM one. We observed the coexistence of both, PM and FM lines, down to 220 K. In this extended range of coexistence (250-220 K) the magnetization shows also a peculiar behavior.

  15. Study on dipole-dipole interaction in spin labelled hemoglobin molecule by means of ESR spectroscopy; Badanie oddzialywan dipol-dipolowych w znakowanej spinowo czasteczce hemoglobiny metoda impulsowej spektroskopii EPR

    Energy Technology Data Exchange (ETDEWEB)

    Kostrzewa, A.; Froncisz, W. [Inst. Biologii Molekularnej, Uniwersytet Jagiellonski, Cracow (Poland)

    1994-12-31

    Dipole-dipole interactions in spin labelled hemoglobin molecule have been investigated by means of ESR. The spectral differences at 77 K between oxy-hemoglobin and ferry hemoglobin have been discussed. 4 refs, 3 figs, 1 tab.

  16. Goethite (α-FeOOH) magnetic transition by ESR, Magnetometry and Mössbauer

    Energy Technology Data Exchange (ETDEWEB)

    Valezi, D.F., E-mail: dfvalezi@uel.br [Laboratory of Fluorescence and Electron Paramagnetic Resonance (LAFLURPE), Physics Department, CCE, State University of Londrina (UEL), 86057-970, Londrina, PR (Brazil); Piccinato, M.T. [Laboratory of Fluorescence and Electron Paramagnetic Resonance (LAFLURPE), Physics Department, CCE, State University of Londrina (UEL), 86057-970, Londrina, PR (Brazil); Sarvezuk, P.W.C.; Ivashita, F.F.; Paesano, A. [Physics Department, CCE, State University of Maringá (UEM), 87020-900, Maringá, PR (Brazil); Varalda, J.; Mosca, D.H. [Physics Department, Federal University of Paraná (UFPR), 81531-990, Curitiba, PR (Brazil); Urbano, A. [Laboratory of Thin Films and Materials, Physics Department, CCE, State University of Londrina (UEL), 86057-970, Londrina, PR (Brazil); Guedes, C.L.B. [Laboratory of Fluorescence and Electron Paramagnetic Resonance (LAFLURPE), Chemistry Department, CCE, State University of Londrina (UEL), 86057-970, Londrina, PR (Brazil); Di Mauro, E. [Laboratory of Fluorescence and Electron Paramagnetic Resonance (LAFLURPE), Physics Department, CCE, State University of Londrina (UEL), 86057-970, Londrina, PR (Brazil)

    2016-04-15

    A natural sample of the mineral goethite was characterized by X-band Electron Spin Resonance (ESR), vibrating sample Magnetometry and Mössbauer spectroscopy techniques, with the main objective of studying the magnetic transition from the antiferromagnetic to the paramagnetic state that this mineral undergoes upon reaching a certain critical temperature (Néel temperature). Although an ESR signal was not expected in goethite samples at room temperature, due to its antiferromagnetic arrangement, a resonance line was observed. This behavior was attributed to the existence of vacancies in the mineral structure. Increasing the temperature from RT to 352 K no significant change occurred in the ESR spectra. From 352 K, the goethite spectrum showed an additional ESR line, the intensity of this line grew until it stabilized at around 444 K. The appearance of this new resonance line, and its evolution with temperature, was attributed to two subsequent effects: firstly the spin flop effect from 352 to 372 K; and secondly, the transition to the paramagnetic state at T{sub N} = 372 K. Magnetometry and Mössbauer measurements corroborated this assumption and the transition temperature was identified by magnetometry as T{sub N} = 370 K. Simulations of the goethite ESR spectra in both antiferromagnetic and paramagnetic states were performed by deconvolution of the resonance lines into two contributions, one from species with vacancies in their vicinity, and another with complete vicinity. - Highlights: • We studied a magnetic transition of a natural goethite sample. • It was observed by ESR the spin flop effect and the transition to the PM state. • Spectra simulations showed ESR lines of different spins interactions with vicinity. • T{sub N} was determined as 372 and 370 K by ESR and Magnetometry respectively.

  17. MICROBIAL AND CLINICOCYTOLOGICAL STUDY IN COPPER - T (CU - T USERS

    Directory of Open Access Journals (Sweden)

    Alka

    2015-06-01

    Full Text Available AIMS AND OBJECTIVE: To study clinical , microbial and cytolopathological changes in Cu - T users in tertiary care hospital and to ascertain the safety of Cu - T with reference to cervical intraepithelial neoplasia. METHODOLOGY: We carried out a 2 month prospective analysis during a period of 02/06/2008 to 02/08/20 08 in Tertiary care hospital and medical college in department of Obstetrics and Gynaecology. We included Study subjects as all Cu - T users irrespective of duration of use and Control subjects as all women other than contraceptive users. Sample size was est imated. The detailed history was obtained. Each subject underwent per speculum examination to look for thread , or expulsion of Cu - T , condition of vagina and cervix and discharge. Vaginal discharge was collected and sent for PH testing , wet mount , KOH mount , Gram staining and culture on Mac Conkey and blood agar. Cervical scraping was taken and subjected to Papanicolaou staining. Reporting was done by cytologist according to Bethesda classification. Data was analysed by using appropriate software . RESULTS: M aximum study subjects were in the age group of 21 - 25 years (58%. 75% of subjects were para1. Majority of women had excessive vaginal discharge (41% and pain in lower abdomen (33% as chief complaints , followed by backache (18% and itching (15%. 27% wom en had menorrhagia which accounts for about 1/5 th of removal of Cu - bearing IUDs. Cervical erosions were significantly higher in Cu - T users (P=0.038. Cytological findings were predominantly inflammatory and comparable in both groups. There was insignifican t increase in Trichomonas and fungal infection but significant increase in bacterial infection. Benign reactive and reparative changes were seen with their increased incidence in longer duration of use. However the results were comparable to that in genera l population (P=0.917. Microbial findings showed insignificant qualitative alteration in vaginal flora with

  18. Analysis list: ESR1 [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available ESR1 Breast,Others,Prostate,Uterus + hg19 http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/target/ESR1....1.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/target/ESR1.5.tsv http://dbarchive....biosciencedbc.jp/kyushu-u/hg19/target/ESR1.10.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/ESR1....Breast.tsv,http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/ESR1.Others.tsv,h...ttp://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/ESR1.Prostate.tsv,http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/colo/ESR1

  19. EPR, IR and DC conductivity studies of CuO–(100–) Bi2O3 glasses

    Indian Academy of Sciences (India)

    D Sreenivasu; V Chandramouli

    2000-08-01

    Glass system CuO–(100–) Bi2O3 in the composition range 30–60 mol% of CuO is prepared by melt-quenching technique. The ESR spectra show no hyperfine splittings in parallel part but the peak to peak field width is found to vary with CuO content. The observed effective values are found to vary with copper oxide. The absence of hyperfine splittings is due to inhomogeneous broadening. The observed IR spectra suggest the presence of Bi–O bonds. The structure is changing from [BiO6] octahedral to [BiO3] pyramidal units with increasing CuO concentration. D.C. electrical conductivity results indicate that the conduction is electron in nature and arises out of adiabatic hopping of polarons. The activation energy is found to be concentration and temperature dependent.

  20. Investigation of the isochronous mode of the experimental storage ring (ESR) and the collector ring (CR). Decay spectroscopy of highly charged stored {sup 140}Pr ions at the FRS-ESR facility

    Energy Technology Data Exchange (ETDEWEB)

    Litvinov, Sergey A.

    2008-11-15

    The combination of the present fragment separator FRS and the cooler-storage ring ESR at GSI provides conditions for accurate mass and unique half-life measurements of exotic nuclei. A major part of this doctoral work has been devoted to investigations of the isochronous ion-optical operating mode of the present ESR facility and the planned Collector Ring (CR) facility at FAIR. A detailed ion-optical study of the isochronous storage ring with the emphasis on the main parameters has been done. For example, a simple scaling law providing a quantitative estimate for the mass resolving power as a function of the transverse acceptance has been derived. The ion-optical matching of the FRS-ESR has been calculated and experimentally verified for both the standard and the isochronous operating modes of the ESR. In addition, the dispersion function of a stored ion beam has been measured for both ion-optical modes at the straight section. The improved setting for higher transmission in the standard mode has been used in an experiment on the half-life measurements of highly-charged ions. Orbital electron capture (EC) and/or {beta}{sup +}-decay rates of {sup 140}Pr ions with zero-, one- and two- bound electrons have been measured. A complementary future study of EC-decay in highly-charged {sup 64}Cu ions is discussed. Based on the present experience, the ion-optical matching between the future in-flight fragment separator Super-FRS and the CR has been calculated. The isochronous mode of the CR has been calculated. A dedicated Monte-Carlo code (ISOCHRON) has been developed in order to investigate the influence of the transverse acceptance, the closed orbit distortions, the fringe fields of the quadrupoles, the magnetic field imperfections of the magnets on the mass resolving power. The influence of chromaticity on the isochronicity has been investigated. The correction of the chromaticity and of second-order isochronicity has been performed employing sextupole magnets in the

  1. Association with litter size of new polymorphisms on ESR1 and ESR2 genes in a Chinese-European pig line.

    Science.gov (United States)

    Muñoz, Gloria; Ovilo, Cristina; Estellé, Jordi; Silió, Luis; Fernández, Almudena; Rodriguez, Carmen

    2007-01-01

    The objective of this study was to search for polymorphisms in the coding region of the estrogen receptors 1 and 2 (ESR1 and ESR2) and to analyze the effects of these variants and the well known intronic ESR1 PvuII polymorphism on litter size in a Chinese-European pig line. We identified five silent single nucleotide polymorphisms (SNP) in the ESR1 cDNA: c.669T > C (exon 3), c.1227C > T (exon 5), c.1452C > T (exon 7), c.1665T > C and c.1755A > G (exon 8). One pair of these SNP (c.1665T > C and c.1755A > G) co-segregated in the analyzed line, and the SNP c.669T > C showed the same segregation pattern as the PvuII polymorphism. These polymorphisms were tested in this study, although the c.1452C > T SNP within exon 7 was not analyzed due to its low informativeness. In the ESR2 cDNA, one missense SNP was found within exon 5, which caused an amino acid substitution in the coded protein: "c.949G > A (p.Val317Met)" and was tested on sow litter size. Information on 1622 litter records from 408 genotyped sows was analyzed to determine whether these SNP influenced the total number of piglets born (TNB) or the number of born alive (NBA). The polymorphisms ESR1: [ PvuII; c.669T > C] , ESR1: [ c.1665T > C; c.1755A > G] and ESR2: c.949G > A showed no statistically significant association with litter size. However, the ESR1: c.1227T allele was significantly associated with TNB. The additive substitution effect was estimated to be 0.40 piglets born per litter (P < 0.03), and no dominance effects were observed. This SNP could be useful in assisted selection for litter size in some pig lines, as a new genetic marker in linkage disequilibrium with the causative mutation.

  2. Synthesis, characterization and in vitro antimicrobial studies of Co(II), Ni(II) and Cu(II) complexes derived from macrocyclic compartmental ligand

    Science.gov (United States)

    El-Gammal, O. A.; Bekheit, M. M.; El-Brashy, S. A.

    2015-02-01

    New Co(II), Ni(II) and Cu(II) complexes derived from tetradentate macrocyclic nitrogen ligand, (1E,4E,8E,12E)-5,8,13,16-tetramethyl-1,4,9,12-tetrazacyclohexadeca-4,8,12,16-tetraene (EDHDH) have been synthesized. The complexes have been characterized by elemental analysis, spectral (IR, UV-Vis, 1H NMR and ESR (for Cu(II) complex)) mass, and magnetic as well as thermal analysis measurements. The complexes afforded the formulae: [Cu(EDHDH)Cl2]·2EtOH and [M(EDHDH)X2]·nH2O where M = Co(II) and Ni(II), X = Cl- or OH-, n = 1,0, respectively. The data revealed an octahedral arrangement with N4 tetradentate donor sites in addition to two Cl atoms occupying the other two sites. ESR spectrum of Cu2+ complex confirmed the suggested geometry with values of a α2and β2 indicating that the in-plane σ-bonding and in-plane π-bonding are appreciably covalent, and are consistent with very strong σ-in-plane bonding in the complexes. The molecular modeling is drawn and showed the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all the title compounds using DFT method. Also, the thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. Moreover, the in vitro antibacterial studies of all compounds screened against pathogenic bacteria (two Gram +ve and two Gram -ve) to assess their inhibiting potential. The assay indicated that the inhibition potential is metal ion dependent. The ligand, EDHDH, Co(II) and Cu(II) complexes exhibited a remarkable antibacterial activity against Streptococcus Pyogenes as Gram +ve and Proteus vulgaris as Gram -ve bacterial strains. On the other hand, Ni(II) complex revealed a moderate antibacterial activity against both Gram +ve organisms and no activity against Gram -ve bacterial strain.

  3. Numerical study of the enhancement of heat transfer for hybrid CuO-Cu Nanofluids flowing in a circular pipe.

    Science.gov (United States)

    Balla, Hyder H; Abdullah, Shahrir; Mohdfaizal, Wan; Zulkifli, Rozli; Sopian, Kamaruzaman

    2013-01-01

    A numerical simulation model for laminar flow of nanofluids in a pipe with constant heat flux on the wall was built to study the effect of the Reynolds number on convective heat transfer and pressure loss. The investigation was performed for hybrid nanofluids consisting of CuO-Cu nanoparticles and compared with CuO and Cu in which the nanoparticles have a spherical shape with size 50, 50, 50nm respectively. The nanofluids were prepared, following which the thermal conductivity and dynamic viscosity were measured for a range of temperatures (10 -60°C). The numerical results obtained were compared with the existing well-established correlation. The prediction of the Nusselt number for nanofluids agrees well with the Shah correlation. The comparison of heat transfer coefficients for CuO, Cu and CuO-Cu presented an increase in thermal conductivity of the nanofluid as the convective heat transfer coefficient increased. It was found that the pressure loss increases with an increase in the Reynolds number, nanoparticle density and particle volume fraction. However, the flow demonstrates enhancement in heat transfer which becomes greater with an increase in the Reynolds number for the nanofluid flow.

  4. Atom probe study of Cu-poor to Cu-rich transition during Cu(In,Ga)Se2 growth

    Science.gov (United States)

    Couzinie-Devy, F.; Cadel, E.; Barreau, N.; Arzel, L.; Pareige, P.

    2011-12-01

    Atomic scale chemistry of polycrystalline Cu(In,Ga)Se2 (CIGSe) thin film has been characterized at key points of the 3-stage process using atom probe tomography. 3D atom distributions have been reconstructed when the layer is Cu-poor ([Cu]/([Ga] + [In]) 1), and at the end of the process. Particular attention has been devoted to grain boundary composition and Na atomic distribution within the CIGSe layer. Significant variation of composition is highlighted during the growing process, providing fundamental information helping the understanding of high efficiency CIGSe formation.

  5. Structural and Spectroscopic Studies on [Cu(DACH)2(H2O)]Cl2(DACH =1,4-Diazacycloheptane)

    Institute of Scientific and Technical Information of China (English)

    GUO,Ya-Mei(郭亚梅); DU,Miao(杜淼); BU,Xian-He(卜显和)

    2002-01-01

    A penta-coordinated Cu(Ⅱ) complex with 1,4-diazacycloheptane (DACH), [Cu(DACH)2(H2O)]Cl2(1), has been synthesized and characterized by X-ray diffraction, IR spectra,elemental analyses, thermal analyses, UV-Vis and ESR techniques. Complex 1 crystallizes in orthorhombic crystal system, Pbcn space group with a = 1.6075(4), b = 1.0539(3),c=0.9195(3) nm, V=1.5578(7) nm3, Mr=352.79, Z=4, Dc=1.487 g/cm3, final R=0.0451 and wR =0.1294.The structure of 1 indicates that the central Cu(Ⅱ) atom is penta-coordinated by four nitrogen atoms of two DACH moieties at the equatorial positions and a water molecule at the axis position. The coordination geometry of Cu(Ⅱ) could be considered as an approximately ideal square-pyramidal environment. Both DACH rings arrange in cis-form and are predominantly in the boat-boat conformation (80%) with some disorder to the chair-chair conformation (20%). The Cl- anions are hydrogen bonded with the nitrogen donors of the DACH rings and the oxygen donor of the coordinated H2O molecule to form a one-dimensional zigzag linear structure.The solution behaviors of 1 are also discussed in detail by Uvvis and ESR technique.

  6. Synthesis and studies on Cu(II), Co(II), Ni(II) complexes of Knoevenagel β-diketone ligands

    Science.gov (United States)

    Sumathi, S.; Tharmaraj, P.; Sheela, C. D.; Anitha, C.

    2012-11-01

    Transition metal complexes of various acetylacetone based ligands of the type ML [where M = Cu(II), Ni(II), Co(II); L = 3-(aryl)-pentane-2,4-dione] have been synthesized. The structural features have been derived from their elemental analysis, magnetic susceptibility, molar conductance, IR, UV-Vis, 1H NMR, Mass and ESR spectral studies. Conductivity measurements reveal that all the complexes are non-electrolytic in nature. Spectroscopic and other analytical data of the complexes suggest octahedral geometry for other metal(II) complexes. The redox behavior of the copper(II) complexes have been studied by cyclic voltammetry. The free ligands and their metal complexes have been screened for their in vitro biological activities against the bacteria Pseudomonas aeruginosa, Escherichia coli and Staphylococcus aureus as well as the fungus Candida albicans by well diffusion method. The zone of inhibition value indicates that the most of the metal(II) complexes are found to possess increased activities compared to those of the free ligands. All synthesized compounds may serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The second harmonic generation (SHG) efficiency of the ligands (L1-L3) was found to be considerable effect than that of urea and KDP (potassium dihydrogen phosphate).

  7. Fundamental Studies of Methanol Synthesis from CO2 Hydrogenation on Cu(111), Cu Clusters, and Cu/ZnO(000ī)

    Energy Technology Data Exchange (ETDEWEB)

    Liu, P.; Yang, Y.; Evans, J.; Rodriguez, J.A.; White, M.G.

    2010-06-21

    A combination of experimental and theoretical methods were employed to investigate the synthesis of methanolvia CO{sub 2}hydrogenation (CO{sub 2} + 3H{sub 2} {yields} CH{sub 3}OH + H{sub 2}O) on Cu(111) and Cunanoparticle surfaces. High pressure reactivity studies show that Cunanoparticles supported on a ZnO(000{bar 1}) single crystal exhibit a higher catalytic activity than the Cu(111) planar surface. Complementary density functional theory (DFT) calculations of methanol synthesis were also performed for a Cu(111) surface and unsupported Cu{sub 29} nanoparticles, and the results support a higher activity for Cu nanoparticles. The DFT calculations show that methanol synthesis on Cu surfaces proceeds through a formate intermediate and the overall reaction rate is limited by both formate and dioxomethylene hydrogenation. Moreover, the superior activity of the nanoparticle is associated with its fluxionality and the presence of low-coordinated Cu sites, which stabilize the key intermediates, e.g. formate and dioxomethylene, and lower the barrier for the rate-limiting hydrogenation process. The reverse water-gas-shift (RWGS) reaction (CO{sub 2} + H{sub 2} {yields} CO + H{sub 2}O) was experimentally observed to compete with methanol synthesis and was also considered in our DFT calculations. In agreement with experiment, the rate of the RWGS reaction on Cu nanoparticles is estimated to be 2 orders of magnitude faster than methanol synthesis at T = 573 K. The experiments and calculations also indicate that CO produced by the fast RWGS reaction does not undergo subsequent hydrogenation to methanol, but instead simply accumulates as a product. Methanol production from CO hydrogenation via the RWGS pathway is hindered by the first hydrogenation of CO to formyl, which is not stable and prefers to dissociate into CO and H atoms on Cu. Our calculated results suggest that the methanol yield over Cu-based catalysts could be improved by adding dopants or promoters which are able

  8. Synthesis, spectral, antitumor and antimicrobial studies on Cu(II) complexes of purine and triazole Schiff base derivatives

    Science.gov (United States)

    Amer, Said; El-Wakiel, Nadia; El-Ghamry, Hoda

    2013-10-01

    A series of copper (II) complexes of Schiff bases derived from 7H-2,6-diaminopurine and 4H-3,5-diamino-1,2,4-triazole with 2-pyridinecarbaldehyde, salicylaldehyde, 2,4-dihydroxybenzaldehyde and 2-hydroxy-1-naphthaldehyde have been prepared. The donor atoms and the possible geometry of the complexes were investigated by means of elemental and thermal analyses, molar conductance, magnetic moment, UV-Vis, IR, ESR and mass spectra. The ligands behaved as tetradentate, coordinating through the nitrogen atom of the azomethine group and the nearest nitrogen atom to it or oxygen atom of α-hydroxyl group. The results of simultaneous DTA & TGA analyses of the complexes showed the final degradation product for these complexes is CuO. The spectral studies confirmed a four coordinate environment around the metal ion. The obtained results were supported by 3D molecular modeling of complexes using molecular mechanics (MM+) and semiempirical molecular orbital calculations (PM3). These complexes were also tested for their in vitro antimicrobial activities against some bacterial and fungal strains. Complex 2 was investigated for its cyctotoxic effect against human breast cancer (MCF7), liver carcinoma (HEPG2) and colon carcinoma cell lines (HCT116). This compound exhibited a moderate activity against the tested cell lines with IC50 of 10.3, 9.8 and 8.7 μg/ml against MCF7, HCT116 and HEPG2, respectively.

  9. Targeting ESR1-Mutant Breast Cancer

    Science.gov (United States)

    2015-09-01

    Introduction Approximately 70% of ER+ breast cancers harbor expression of the estrogen receptor and are dependent upon its activity for various aspects of the...resistance to current FDA approved ER antagonists, but that more potent and selective estrogen receptor antagonists will be sufficiently active to...antagonists and their potency against ER mutants both in vitro and in vivo . Targeting ESR1-Mutant Breast Cancer W81XWH-14-1-0359 9 4. Impact A) Impact

  10. Retracted: Impact of polymorphisms in the oestrogen receptors alpha and beta (ESR1, ESR2) genes on risk of vasculogenic erectile dysfunction.

    Science.gov (United States)

    2014-01-01

    The above article from Andrology, 'Impact of polymorphisms in the oestrogen receptors alpha and beta (ESR1, ESR2) genes on risk of vasculogenic erectile dysfunction' by M. R. Safarinejad, A. Taghva, N. Shafiei and S. Safarinejad published online on 20 May 2013 in Wiley Online Library has been retracted by agreement between the journal Editors-in-Chief, Douglas Carrell and Ewa Rajpert-De Meyts and John Wiley and Sons Ltd. The retraction has been decided due to failure by the lead author to verify the data contained in the study, and to provide evidence of the role of co-authors and their institutional affiliations.

  11. Study on Bamboo Treatment Technology with CuAz Preservative

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    In order to research the effect of preservative penetrability, CuAz (copper azole) was used for the preservative, and pieces of Moso bamboo (Phyllostachys pubescens) were used for the experimental materials in this study. The vacuum pressure process was used to treat bamboo pieces. The results showed as follows: 1) Main treatment factors were preservative concentration and applied pressure; 2) In the same technology, both the retention and the weight proportion gain of the samples without node were less tha...

  12. Ab initio comparative study of the Cu-In and Cu-Sn intermetallic phases in Cu-In-Sn alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ramos de Debiaggi, S., E-mail: sbramos@yahoo.com [Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400, 8300 Neuquen (Argentina); CONICET (Argentina); Deluque Toro, C. [Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400, 8300 Neuquen (Argentina); Cabeza, G.F. [CONICET (Argentina); Dpto. de Fisica, Universidad Nacional del Sur, 8000 Bahia Blanca (Argentina); Fernandez Guillermet, A. [CONICET (Argentina); Centro Atomico Bariloche e Instituto Balseiro, Avda. Bustillo 9500, 8400 Bariloche (Argentina)

    2012-11-25

    Highlights: Black-Right-Pointing-Pointer A DFT study of Cu-In and Cu-Sn compounds in Cu-In-Sn soldering alloys is reported. Black-Right-Pointing-Pointer Structural, cohesive, electronic and thermodynamic trends are established. Black-Right-Pointing-Pointer Phase-stabilities at low T are well reproduced by the 0 K thermodynamic values. Black-Right-Pointing-Pointer Available structural and equation-of-state data are satisfactorily accounted for. Black-Right-Pointing-Pointer Experimental and CALPHAD-based relative-stability properties are well reproduced. - Abstract: The present paper reports a comparative account of the structural, cohesive and thermodynamic stability properties of the binary intermetallic phases (IPs) occurring in the Cu-In and the Cu-Sn phase diagrams, both at low and at high temperatures, based upon systematic density-functional-theory (DFT) calculations. Using the projector augmented wave method and the exchange and correlation functions of Perdew and Wang in the generalized gradient approximation (GGA), as well as the local-density-approximation (LDA) with the Ceperley and Alder exchange and correlation potentials, we determine the lattice-parameters, molar volume, bulk modulus and its pressure derivative, the electronic density of states (DOS) and the energy of formation (EOF) from the elements of the {delta}-Cu{sub 7}In{sub 3} (aP40), {gamma}-Cu{sub 9}In{sub 4} (cP52) and CuIn{sub 2} (tI12) compounds of the Cu-In system. Moreover, DFT-GGA calculations were performed for the compounds: {gamma}-Cu{sub 4}Sn (cF16), {xi}-Cu{sub 10}Sn{sub 3} (hP26), {epsilon}-Cu{sub 3}Sn both in the (oP8) structure and the (oP80) superstructure, {eta} Prime -Cu{sub 6}Sn{sub 5} (mC44) and {eta}-Cu{sub 5}Sn{sub 4} both in the {eta}{sub 1} (mP36) and {eta}{sub 2} (mC54) structural forms. In addition, the hypothetical structures obtained by replacing In (or Sn) by Sn (or In) are studied, because of their relevance in the CALPHAD modeling of the Cu-In-Sn phase diagram

  13. ESR dating at Mezmaiskaya Cave, Russia

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, A.R. [Department of Chemistry, Williams College, Williamstown, MA, 01267 (United States)]. E-mail: anne.r.skinner@williams.edu; Blackwell, B.A.B. [Department of Chemistry, Williams College, Williamstown, MA, 01267 (United States); Martin, Sara [Department of Chemistry, Williams College, Williamstown, MA, 01267 (United States); Ortega, A. [RFK Science Research Institute, Flushing, NY, 11366 (United States); Blickstein, J.I.B. [RFK Science Research Institute, Flushing, NY, 11366 (United States); Golovanova, L.V. [Laboratory of Prehistory, St. Petersburg (Russian Federation); Doronichev, V.B. [Laboratory of Prehistory, St. Petersburg (Russian Federation)

    2005-02-01

    Mezmaiskaya Cave has yielded more than 10,000 artifacts, thousands of very well preserved faunal remains, and hominin remains, found in seven Middle Paleolithic (Mousterian) and three Upper Paleolithic levels. A complete Neanderthal infant skeleton was preserved in anatomical juxtaposition lying on a large limestone block, overlain by the earliest Mousterian layer, Layer 3. Twenty-four skull fragments from a 1-2 year-old Neanderthal infant, showing post-mortem deformation, occurred in a pit originating in the Mousterian Layer 2 and penetrating into underlying layers 2A and 2B(1). Bone from Layer 2A was dated by AMS {sup 14}C at 35.8-36.3{+-}0.5 kyr BP. Direct dating of Neanderthal bone from Layer 3 gave an age of 29 kyr, but that is now considered to be due to contamination by modern carbon. Fourteen large mammal teeth from Layers 2 through 3 have been dated by standard electron spin resonance (ESR). Low U concentrations in both the enamel and dentine ensure that ESR ages do not depend significantly on the U uptake model, but do depend strongly on the sedimentary dose rates. Assuming a sedimentary water concentration equal to 20 wt%, ESR ages for the Mousterian layers range from 36.2 to 73.0{+-}5.0 ka.

  14. Dynamics of 4-oxo-TEMPO-d16-(15)N nitroxide-propylene glycol system studied by ESR and ESE in liquid and glassy state in temperature range 10-295K.

    Science.gov (United States)

    Goslar, Janina; Hoffmann, Stanislaw K; Lijewski, Stefan

    2016-08-01

    ESR spectra and electron spin relaxation of nitroxide radical in 4-oxo-TEMPO-d16-(15)N in propylene glycol were studied at X-band in the temperature range 10-295K. The spin-lattice relaxation in the liquid viscous state determined from the resonance line shape is governed by three mechanisms occurring during isotropic molecular reorientations. In the glassy state below 200K the spin-lattice relaxation, phase relaxation and electron spin echo envelope modulations (ESEEM) were studied by pulse spin echo technique using 2-pulse and 3-pulse induced signals. Electron spin-lattice relaxation is governed by a single non-phonon relaxation process produced by localized oscillators of energy 76cm(-1). Electron spin dephasing is dominated by a molecular motion producing a resonance-type peak in the temperature dependence of the dephasing rate around 120K. The origin of the peak is discussed and a simple method for the peak shape analysis is proposed, which gives the activation energy of a thermally activated motion Ea=7.8kJ/mol and correlation time τ0=10(-8)s. The spin echo amplitude is strongly modulated and FT spectrum contains a doublet of lines centered around the (2)D nuclei Zeeman frequency. The splitting into the doublet is discussed as due to a weak hyperfine coupling of nitroxide unpaired electron with deuterium of reorienting CD3 groups.

  15. Dynamics of 4-oxo-TEMPO-d16-15N nitroxide-propylene glycol system studied by ESR and ESE in liquid and glassy state in temperature range 10-295 K

    Science.gov (United States)

    Goslar, Janina; Hoffmann, Stanislaw K.; Lijewski, Stefan

    2016-08-01

    ESR spectra and electron spin relaxation of nitroxide radical in 4-oxo-TEMPO-d16-15N in propylene glycol were studied at X-band in the temperature range 10-295 K. The spin-lattice relaxation in the liquid viscous state determined from the resonance line shape is governed by three mechanisms occurring during isotropic molecular reorientations. In the glassy state below 200 K the spin-lattice relaxation, phase relaxation and electron spin echo envelope modulations (ESEEM) were studied by pulse spin echo technique using 2-pulse and 3-pulse induced signals. Electron spin-lattice relaxation is governed by a single non-phonon relaxation process produced by localized oscillators of energy 76 cm-1. Electron spin dephasing is dominated by a molecular motion producing a resonance-type peak in the temperature dependence of the dephasing rate around 120 K. The origin of the peak is discussed and a simple method for the peak shape analysis is proposed, which gives the activation energy of a thermally activated motion Ea = 7.8 kJ/mol and correlation time τ0 = 10-8 s. The spin echo amplitude is strongly modulated and FT spectrum contains a doublet of lines centered around the 2D nuclei Zeeman frequency. The splitting into the doublet is discussed as due to a weak hyperfine coupling of nitroxide unpaired electron with deuterium of reorienting CD3 groups.

  16. Spectroscopic Studies of a Three-dimensional, Five-coordinated Copper(Ⅱ) Complex via Hydrogen Bonds: [Cu(PDA)(H2O)2](H2PDA=Pyridine-2,6-dicarboxylic Acid)

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A new copper(Ⅱ) complex [Cu(PDA)(H2O)2] was synthesized and its structure was determined. Cu(Ⅱ) is five-coordinated in a tetragonal pyramid geometry. The two coordinating water molecules are different and the two Cu-O bond lengths differ by nearly 0.02 nm. The whole crystal is linked to form a three-dimensional network by means of hydrogen bonds. The X-band ESR spectrum shows three different g tensors with a well-resolved hyperfine structure in the gz signal, giving the ESR parameters gx=2.05, gy=2.065 and gz=2.29. The covalency of the coordinate bonds and the deviation from tetragonal pyramid geometry for the complex are discussed based on the ESR spectra.

  17. Expression of estrogen receptor α 36 (ESR36 in the hamster ovary throughout the estrous cycle: effects of gonadotropins.

    Directory of Open Access Journals (Sweden)

    Prabuddha Chakraborty

    Full Text Available Estradiol-17β (E plays an important role in ovarian follicular development. Evidence indicates that some of the effect of E is mediated by the transmembrane estrogen receptor. In this study, we examined the spatio-temporal expression of recently discovered ERα36 (ESR36, a splice variant of Esr1 and a receptor for non-genomic E signaling, in the hamster ovary during the estrous cycle and the role of gonadotropins and ovarian steroid hormones in ESR36 expression. ESR36 expression was high on estrus (D1:0900 h and declined precipitously by proestrus (D4:0900 h and remained low up to D4:1600 h. Immunofluorescence findings corroborated immunoblot findings and revealed that ESR36 was expressed only in the cell membrane of both follicular and non-follicular cells, except the oocytes. Ovarian ESR36 was capable of binding to the E-affinity matrix, and have different molecular weight than that of the ESR1 or GPER. Hypophysectomy (Hx resulted in a marked decline in ESR36 protein levels. FSH and LH, alone or combined, markedly upregulated ESR36 protein in Hx hamsters to the levels observed in D1 hamsters, but neither E nor P had any effect. Inhibition of the gonadotropin surge by phenobarbital treatment on D4:1100 h attenuated ESR36 expression in D1:0900 h ovaries, but the decline was restored by either FSH or LH replacement on D4 afternoon. This is the first report to show that ESR36, which is distinct from ESR1 or GPER is expressed in the plasma membrane of ovarian follicular and non-follicular cells, binds to E and its expression is regulated directly by the gonadotropins. In light of our previous findings, the results suggest that ovarian cells contain at least two distinct membrane estrogen receptors, such as GPER and ESR36, and strongly suggest for a non-genomic action of E regulating ovarian follicular functions.

  18. Study of the /sup 63/Cu(n,. gamma. )/sup 64/Cu reaction

    Energy Technology Data Exchange (ETDEWEB)

    Delfini, M.G.; Kopecky, J.; de Haas, J.B.M.; Liou, H.I.; Chrien, R.E.; Endt, P.M.

    1983-08-08

    The ..gamma..-radiation resulting from the capture of unpolarized thermal, 2 and 24 keV neutrons in enriched /sup 63/Cu, and of polarized thermal neutrons in /sup 63/Cu oriented at low temperature has been investigated. Of the 323 ..gamma..-rays observed 299 could be placed in a /sup 64/Cu level scheme containing 109 levels. The reaction Q-value amounts to 7916.09(12) keV. The Z/sup 2/ analysis of the ..gamma..-ray angular distributions obtained from capture of polarized neutrons in oriented /sup 63/Cu resulted in three unambiguous spin assignments for levels in /sup 64/Cu. The fraction of the Jsup(..pi..) = 1/sup -/ channel in the thermal capture was determined as (94 +- 2)%. For one level an unambiguous spin assignment has been obtained from the decay scheme.

  19. Electrical conductivity studies on CuBr containing Al2O3 particles

    Science.gov (United States)

    Dubec, P. M.; Wagner, J. B., Jr.

    1984-01-01

    The conductivity of CuBr was studied and the role of a second phase, Al2O3, dispersed in CuBr was tested. CuBr melts at 493 C and exhibits three phases in the solid state. CuBr is a good ionic conductor with a transport number for copper ions of virtually unity with weighed proportions of the appropriate chemicals used. The CuBr materials were heated above melting point of CuBr, and the samples were sandwiched between copper electrodes. The ac conductivity, was determined at 1 kHz between 25 and 440 C depending on the sample. It was shown that at low temperatures, the conductivity for CuBr (Al2O3) increased by as much as 100, whereas in the beta phase the conductivity of CuBr containing Al2O3 decreased. The electrical conductivity studies are in agreement with earlier data.

  20. Micro-Raman Study of Orientation Effects of CuxSe-Crystallites on Cu-rich CuGaSe2 Thin Films

    Science.gov (United States)

    Xue, C.; Papadimitriou, D.; Raptis, Y. S.; Richter, W.; Esser, N.; Siebentritt, S.; Lux-Steiner, M. Ch.

    2004-08-01

    The structural properties of copper selenide (CuxSe), formed as a secondary phase on the surface of CuGaSe2 films grown under Cu-rich conditions on GaAs (100) substrates, were studied by micro-Raman spectroscopy. Raman bands at 45 and 263cm-1, observed on crystallites dispersed on the CuGaSe2 film, are in agreement with the Raman modes of CuSe and Cu2Se. Polarization- and angular-dependent micro-Raman measurements reveal that the CuxSe-crystallites are grown with a preferential orientation on the CuGaSe2 surface.

  1. Development of multi-frequency ESR system for high-pressure measurements up to 2.5 GPa.

    Science.gov (United States)

    Sakurai, T; Fujimoto, K; Matsui, R; Kawasaki, K; Okubo, S; Ohta, H; Matsubayashi, K; Uwatoko, Y; Tanaka, H

    2015-10-01

    A new piston-cylinder pressure cell for electron spin resonance (ESR) has been developed. The pressure cell consists of a double-layer hybrid-type cylinder with internal components made of the ZrO2-based ceramics. It can generate a pressure of 2 GPa repeatedly and reaches a maximum pressure of around 2.5 GPa. A high-pressure ESR system using a cryogen-free superconducting magnet up 10T has also been developed for this hybrid-type pressure cell. The frequency region is from 50 GHz to 400 GHz. This is the first time a pressure above 2 GPa has been achieved in multi-frequency ESR system using a piston-cylinder pressure cell. We demonstrate its potential by showing the results of the high-pressure ESR of the S=1 system with the single ion anisotropy NiSnCl6·6H2O and the S=1/2 quantum spin system CsCuCl3. We performed ESR measurements of these systems above 2 GPa successfully. Copyright © 2015 Elsevier Inc. All rights reserved.

  2. Surface electrochemical study of the interaction between bovine serum albumin and Cu(Ⅱ),Cu(Ⅰ)%牛血清白蛋白与Cu(Ⅱ)、Cu(Ⅰ)相互作用的表面电化学研究

    Institute of Scientific and Technical Information of China (English)

    张辉; 李丽; 田燕妮

    2011-01-01

    A modified electrode of bovine serum albumin (BSA) adsorbed onto glassy carbon electrode was investigated by means of cyclic voltammetry. The electrochemical behavior of copper ion on BSA-modified electrode was studied. The results show that Cu( II ) and Cu( I ) could bind BSA via non-hydrophobic (electrostatic and/or covalent) interaction, and Cu2+interacts with the BSA on the BSA-modified electrode more strongly than Cu+ . It is a feasible method to probe the interaction of metalic ions and small molecules with albumin.%采用循环伏安法,研究了牛血清白蛋白(BSA)吸附到玻碳电极上构成的BSA修饰电极.考察了铜离子在BSA修饰电极上的电化学行为.结果表明,Cu(Ⅱ)、Cu(Ⅰ)通过非疏水(静电或者共价)作用与电极表面的BSA结合,Cu2+在BSA修饰电极上与BSA的结合能力比Cu+与BSA的结合能力强.使用该方法探究蛋白与金属离子、小分子的作用是可行的.

  3. DNA cleavage, antibacterial, antifungal and anthelmintic studies of Co(II), Ni(II) and Cu(II) complexes of coumarin Schiff bases: Synthesis and spectral approach

    Science.gov (United States)

    Patil, Sangamesh A.; Prabhakara, Chetan T.; Halasangi, Bhimashankar M.; Toragalmath, Shivakumar S.; Badami, Prema S.

    2015-02-01

    The metal complexes of Co(II), Ni(II) and Cu(II) have been synthesized from 6-formyl-7,8-dihydroxy-4-methylcoumarin with o-toluidine/3-aminobenzotrifluoride. The synthesized Schiff bases and their metal complexes were structurally characterized based on IR, 1H NMR, 13C NMR, UV-visible, ESR, magnetic, thermal, fluorescence, mass and ESI-MS studies. The molar conductance values indicate that complexes are non-electrolytic in nature. Elemental analysis reveals ML2·2H2O [M = Co(II), Ni(II) and Cu(II)] stoichiometry, where 'L' stands for a singly deprotonated ligand. The presence of co-ordinated water molecules were confirmed by thermal studies. The spectroscopic studies suggest the octahedral geometry. Redox behavior of the complexes were confirmed by cyclic voltammetry. All the synthesized compounds were screened for their antibacterial (Escherichia coli, Pseudomonas auregenosa, klebsiella, Proteus, Staphylococcus aureus and salmonella) antifungal (Candida, Aspergillus niger and Rhizopus), anthelmintic (Pheretima posthuma) and DNA cleavage (Calf Thymus DNA) activity.

  4. Co(II), Ni(II) and Cu(II) complexes with coumarin-8-yl Schiff-bases: spectroscopic, in vitro antimicrobial, DNA cleavage and fluorescence studies.

    Science.gov (United States)

    Patil, Sangamesh A; Unki, Shrishila N; Kulkarni, Ajaykumar D; Naik, Vinod H; Badami, Prema S

    2011-09-01

    A new series of Co(II), Ni(II) and Cu(II) complexes of the type ML·2H2O of Schiff-bases derived from m-substituted thiosemicarbazides and 8-acetyl-7-hydroxy-4-methylcoumarin have been synthesized and characterized by spectroscopic studies. Schiff-bases exhibit thiol-thione tautomerism wherein sulphur plays an important role in the coordination. The coordination possibility of the Schiff-bases towards metal ions have been proposed in the light of elemental analyses, spectral (IR, UV-vis, FAB-mass, ESR and fluorescence), magnetic and thermal studies. The low molar conductance values in DMF indicate that, the metal complexes are non-electrolytes. The cyclic voltammetric studies suggested that, the Cu(II) and Ni(II) complexes are of single electron transfer quasi-reversible nature. The Schiff-bases and its metal complexes have been evaluated for their in vitro antibacterial (Escherichia coli, Staphilococcus aureus, Bascillus subtilis and Salmonella typhi) and antifungal activities (Candida albicans, Cladosporium and Aspergillus niger) by MIC method. The Schiff-base I and its metal complexes exhibited DNA cleavage activity on isolated DNA of A. niger.

  5. DNA cleavage, antibacterial, antifungal and anthelmintic studies of Co(II), Ni(II) and Cu(II) complexes of coumarin Schiff bases: synthesis and spectral approach.

    Science.gov (United States)

    Patil, Sangamesh A; Prabhakara, Chetan T; Halasangi, Bhimashankar M; Toragalmath, Shivakumar S; Badami, Prema S

    2015-02-25

    The metal complexes of Co(II), Ni(II) and Cu(II) have been synthesized from 6-formyl-7,8-dihydroxy-4-methylcoumarin with o-toluidine/3-aminobenzotrifluoride. The synthesized Schiff bases and their metal complexes were structurally characterized based on IR, (1)H NMR, (13)C NMR, UV-visible, ESR, magnetic, thermal, fluorescence, mass and ESI-MS studies. The molar conductance values indicate that complexes are non-electrolytic in nature. Elemental analysis reveals ML2·2H2O [M = Co(II), Ni(II) and Cu(II)] stoichiometry, where 'L' stands for a singly deprotonated ligand. The presence of co-ordinated water molecules were confirmed by thermal studies. The spectroscopic studies suggest the octahedral geometry. Redox behavior of the complexes were confirmed by cyclic voltammetry. All the synthesized compounds were screened for their antibacterial (Escherichia coli, Pseudomonas auregenosa, klebsiella, Proteus, Staphylococcus aureus and salmonella) antifungal (Candida, Aspergillus niger and Rhizopus), anthelmintic (Pheretima posthuma) and DNA cleavage (Calf Thymus DNA) activity.

  6. Structural and functional studies of a Cu+-ATPase from Legionella pneumophila

    DEFF Research Database (Denmark)

    Mattle, Daniel

    During his studies, Daniel Mattle explored the copper(I) export mechanism of a P-type Cu+ ATPase from Legionella pneumophila – a homologue to the human Cu+ ATPases. Cu+ ATPases are responsible for the homeostatic control of the physiological relevant – but toxic – copper(I) cations. To assess...

  7. Spectroscopic study of Cu{sup 2+} and Cu{sup +} ions in high-transmission glass. Electronic structure and Cu{sup 2+}/Cu{sup +} concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Gomez, Susana; Rodriguez, Fernando [MALTA-CONSOLIDER-Team, DCITIMAC, Facultad de Ciencias, Universidad de Cantabria, 39005 Santander (Spain); Urra, Inigo [Departmento Construccion, Area de Energia y medioambiente, CIDEMCO-Tecnalia, 20730 Azpeitia (Spain); Valiente, Rafael, E-mail: gomezss@unican.e [MALTA-CONSOLIDER-Team, Departmento Fisica Aplicada, Facultad de Ciencias, Universidad de Cantabria, 39005 Santander (Spain)

    2010-07-28

    This work investigates the formation of photoluminescence centres in high-transmission glass (HTG) doped with Cu{sub 2}O and their capability to transform the solar spectrum by absorption/emission via Stokes-shifted PL into a more efficient spectrum for photovoltaic applications. Among the centres formed in HTG, both green photoluminescent Cu{sup +} and the non-photoluminescent Cu{sup 2+} centres are created but their relative concentration depends on the thermal treatment and the presence of other co-dopants. The measurement of the absorption coefficient {alpha}({lambda}) nearby the HTG optical gap for Cu{sup +} bands is accomplished by following the two-thickness method. This procedure allows us to obtain the actual absorption coefficient for the spectrum of each formed centre, from which we obtain the relative concentration of Cu{sup +}/Cu{sup 2+} as well as their absolute values. The analysis of the spectra provides information on the absorption cross sections, transition energies and bandwidths, the knowledge of which is essential to check the suitability of such centres for photovoltaic applications in solar cells.

  8. Activating ESR1 mutations in hormone-resistant metastatic breast cancer.

    Science.gov (United States)

    Robinson, Dan R; Wu, Yi-Mi; Vats, Pankaj; Su, Fengyun; Lonigro, Robert J; Cao, Xuhong; Kalyana-Sundaram, Shanker; Wang, Rui; Ning, Yu; Hodges, Lynda; Gursky, Amy; Siddiqui, Javed; Tomlins, Scott A; Roychowdhury, Sameek; Pienta, Kenneth J; Kim, Scott Y; Roberts, J Scott; Rae, James M; Van Poznak, Catherine H; Hayes, Daniel F; Chugh, Rashmi; Kunju, Lakshmi P; Talpaz, Moshe; Schott, Anne F; Chinnaiyan, Arul M

    2013-12-01

    Breast cancer is the most prevalent cancer in women, and over two-thirds of cases express estrogen receptor-α (ER-α, encoded by ESR1). Through a prospective clinical sequencing program for advanced cancers, we enrolled 11 patients with ER-positive metastatic breast cancer. Whole-exome and transcriptome analysis showed that six cases harbored mutations of ESR1 affecting its ligand-binding domain (LBD), all of whom had been treated with anti-estrogens and estrogen deprivation therapies. A survey of The Cancer Genome Atlas (TCGA) identified four endometrial cancers with similar mutations of ESR1. The five new LBD-localized ESR1 mutations identified here (encoding p.Leu536Gln, p.Tyr537Ser, p.Tyr537Cys, p.Tyr537Asn and p.Asp538Gly) were shown to result in constitutive activity and continued responsiveness to anti-estrogen therapies in vitro. Taken together, these studies suggest that activating mutations in ESR1 are a key mechanism in acquired endocrine resistance in breast cancer therapy.

  9. High temperature neutron powder diffraction study of the Cu12Sb4S13 and Cu4Sn7S16 phases

    Science.gov (United States)

    Lemoine, Pierric; Bourgès, Cédric; Barbier, Tristan; Nassif, Vivian; Cordier, Stéphane; Guilmeau, Emmanuel

    2017-03-01

    Ternary copper-containing sulfides Cu12Sb4S13 and Cu4Sn7S16 have attracted considerable interest since few years due to their high-efficiency conversion as absorbers for solar energy and promising thermoelectric materials. We report therein on the decomposition study of Cu12Sb4S13 and Cu4Sn7S16 phases using high temperature in situ neutron powder diffraction. Our results obtained at a heating rate of 2.5 K/min indicate that: (i) Cu12Sb4S13 decomposes above ≈792 K into Cu3SbS3, and (ii) Cu4Sn7S16 decomposes above ≈891 K into Sn2S3 and a copper-rich sulfide phase of sphalerite ZnS-type structure with an assumed Cu3SnS4 stoichiometry. Both phase decompositions are associated to a sulfur volatilization. While the results on Cu12Sb4S13 are in fair agreement with recent published data, the decomposition behavior of Cu4Sn7S16 differs from other studies in terms of decomposition temperature, thermal stability and products of reaction. Finally, the crystal structure refinements from neutron powder diffraction data are reported and discussed for the Cu4Sn7S16 and tetrahedrite Cu12Sb4S13 phases at 300 K, and for the high temperature form of skinnerite Cu3SbS3 at 843 K.

  10. 基于尺寸效应的Cu/CuNi薄膜热电偶灵敏度研究%Study on the sensitivity of Cu/CuNi thin-film thermocouple based on size effect

    Institute of Scientific and Technical Information of China (English)

    杨丽红; 赵源深

    2011-01-01

    采用磁控溅射法在镀有SiO2阻挡层的基底上制备了一系列的Cu/CuNi薄膜热电偶,其厚度分别为0.5,1.0,1.5和2.0 μm,测得四种Cu/CuNi薄膜热电偶的灵敏度,分别为46.47,45.23,44.32和43.98 μV/℃,通过实验和理论研究了薄膜热电偶灵敏度S与厚度δ之间的关系.结果表明:Cu/CuNi薄膜热电偶的灵敏度高于普通Cu/CuNi热电偶;在薄膜厚度大于临界厚度的情况下,薄膜热电偶的灵敏度S随着厚度的倒数l/δ增大而升高.%A series of Cu/CuNi thin film thermocouples with different thicknesses of 0.5, 1.0, 1.5 and 2.0 μm were prepared on the substrates with SiO2 linings by means of magnetron sputtering. After static calibration by experiments, the sensitivities of the prepared thermocouples were obtained respectively of 46.67, 45.23, 44.32 and 43.98 μV/°C. The relationship between sensitivity and thickness of Cu/CuNi thin-film thermocouple was studied by experiments and theory. The results show that the sensitivities of Cu/CuNi thin-film thermocouples are higher than that of ordinary thermocouples; when the thickness of the thin-film is greater than the critical value, the sensitivity (S) of thin-film thermocouple will increase with the increasing of the reciprocal of thickness (1/δ).

  11. Influence of Electrolyte on ESR of Medium Voltage Wet Tantalum Capacitors

    Institute of Scientific and Technical Information of China (English)

    刘仲娥; 宋金荣; 陈晓静; 李忆莲; 桂娟

    2004-01-01

    In this paper, the influence of working electrolyte on high-frequency electrical performance of wet tantalum capacitors is studied. Emphasis is especially put on the study of the contribution of depolariser in reducing Equivalent Series Resistance(ESR). According to the theory of depolarization in electrochemistry and the theory of cathode capacitance of electrolytic capacitor, different kinds of depolarisers are added separately into the foregone electrolyte. Then capacitors are assembled with tantalum cores dipped with the compounded electrolytes. The best depolariser and its concentration in the whole electrolyte could be selected according to the test results of the capacitance and ESR of the capacitors. The results of our experiment show that depolariser Fe2(SO4)3 used in working electrolyte of 100 V/100 μF wet tantalum capacitors can help to obtain lower ESR and higher capacitance at frequency from 0.1 kHz to 100 kHz.

  12. ESR dating of quartz extracted from quaternary and neogene sediments: method, potential and actual limits

    Science.gov (United States)

    Laurent, M.; Falguères, C.; Bahain, J. J.; Rousseau, L.; Van Vliet Lanoé, B.

    ESR dating of fluvial, fluvio-marine and beach sediment has been tested using the Al centre in quartz grains from a basin and fossil beaches located around the Manche Channel. Dating was performed in conjunction with sedimentological, stratigraphical and neotectonical studies. The technical basis of the method is presented in the light of the study made on recent and fossil sediment in order to establish a procedure for the determination of the palaeodose. The application on a Neogene Basin samples allows to push back the dating ESR limits. Results show that ESR dating of sediment can provide chronozons which are necessary to the uderstanding of the history of a basin where classical chronological markers do not exist.

  13. Radiation-induced defects in magnesium lactate as ESR dosimeter

    CERN Document Server

    Hassan, G M; Takaki, S

    1999-01-01

    Magnesium lactate (Mg-lactate: (CH sub 3 CH(OH)COO) sub 2 Mg), magnesium lactate doped with lithium lactate (Mg(Li)-lactate) and nominal pure lithium lactate (CH sub 3 CH(OH)COOLi) doped with Mg-lactate (Li(Mg)-lactate) were irradiated by gamma-rays to study radicals for materials of radiation dosimeter with electron spin resonance (ESR). Quartet spectra were ascribed to lactate radicals in Mg-lactate and Li(Mg)-lactate with the spectroscopic splitting factors (g-factor) of 2.0032+-0.004 and 2.0029+-0.004 and the intensity ratio of 1:3:3:1 due to the hyperfine coupling constants of (A/g beta) of 1.92+-0.06 and 1.82+-0.06 mT, respectively. The response to gamma-ray dose and the thermal stability as well as the effect of UV-illumination have been studied to establish this material as an ESR dosimeter. The number of free radicals per 100 eV (G-value) was obtained to be 1.15+-0.32, 1.35+-0.35, 0.46+-0.14 and 0.78+-0.24 for Mg-lactate, Mg(Li)-lactate, Li-lactate and Lie(Mg)-lactate, respectively. Thermoluminescenc...

  14. Phase transitions of natural corals monitored by ESR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Vongsavat, V. [Department of Chemistry, Faculty of Science, Mahidol University, Rama VI Road, Rajathevi, Bangkok 10400 (Thailand); Winotai, P. [Department of Chemistry, Faculty of Science, Mahidol University, Rama VI Road, Rajathevi, Bangkok 10400 (Thailand); Meejoo, S. [Department of Chemistry, Faculty of Science, Mahidol University, Rama VI Road, Rajathevi, Bangkok 10400 (Thailand)]. E-mail: scsmj@mahidol.ac.th

    2006-01-15

    The main purpose of this work is to present a systematic study of structure of marine exoskeletons, Acropora coral and its structural transformation upon heat treatments. The coralline sample was ground and characterized as powder throughout this work. Structural identifications of all samples have been confirmed using X-ray diffraction and IR spectroscopy. It was clearly found that the fresh specimen is made of aragonite, a common phase of the mineral CaCO{sub 3}. Thermal analyses, DSC and TGA were used to monitor structural and thermal decompositions and an irreversible solid-state phase transition from aragonite to calcite of the marine carbonate. Next, the coral powder was annealed at specific temperatures over the range 350-900 deg. C, and the effects of heat treatment on the structure of coralline samples were carefully studied by Rietveld refinement method. In addition, we have examined Mn{sup 2+} paramagnetic ions and free radicals present in the coral and changes of those upon heating by using ESR spectroscopy. The local environments of Mn{sup 2+} ions were verified from the calculated ESR spectra using appropriate spin Hamiltonian parameters, i.e. gyromagnetic tensor g , zero-field splitting D and hyperfine tensor A . This work reported structures and compositions as well as physical, chemical and thermal properties of the coralline material upon heat treatments qualitatively and quantitatively.

  15. Interstitial copper defect induced reconstruction of a new ;CuO4; quadrilateral in CaCu3Ti4O12: A first-principles study

    Science.gov (United States)

    Xiao, Haibo; Xu, Linfang; Wang, Ruilong; Yang, Changping

    2017-09-01

    The geometric structure, electronic structure and formation energy of CaCu3Ti4O12 (CCTO) with interstitial copper atom have been studied using the density-functional method within the GGA approximation. Result of structural optimization shows that the interstitial Cu-atom (Cu7) prefers to occupy a special location which is symmetrical with an intrinsic copper atom (Cu13) deviated from the normal site. The mulliken analysis indicates the loss of electrons from interstitial atom (Cu7) and Cu13 are only half more of the losing in other copper atom, which reveals a characteristics of covalent bonding between Cu7/Cu13 and surrounding oxygen atoms respectively. Meanwhile, it is found from electron density difference (EDD) and orbital analysis that the introduction of interstitial Cu atom causes prominent structural reconstruction of a new ;CuO4; quadrilateral. Moreover, the new ;CuO4; planar leads to a corresponding electronic reconstruction in the hybridization between Cu7/Cu13 3d and O 2p at the vicinity of fermi surface, for which a new conductive filament channel comes into being. Besides, the formation energies of the interstitial defects in various charge states are corrected with the value of 2.18, -4.17 and -9.46 eV for charge of 0, 1+ and 2+, respectively.

  16. Ab initio based Monte Carlo studies of Cu-depleted CIS phases for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Ludwig, Christian; Gruhn, Thomas; Felser, Claudia [Institut fuer Anorganische and Analytische Chemie, Johannes Gutenberg-Universitaet Mainz (Germany); Windeln, Johannes [IBM Mainz (Germany)

    2011-07-01

    Thin film solar cells with a CuInSe{sub 2} (CIS) absorber layer have an increasing share of the solar cell market because of their low production costs and the high efficiency. One interesting aspect of CIS is the inherent resilience to defects and composition fluctuations. Beside the stable CuInSe{sub 2} phase, there are various Cu-poor phases along the Cu{sub 2}Se-In{sub 2}Se{sub 3} tie line, including the CuIn{sub 3}Se{sub 5} and the CuIn{sub 5}Se{sub 8} phase. We have used ab initio calculations of Cu-poor CIS configurations to make a cluster expansion of the configurational energy. In the configurations, Cu atoms, In atoms, and vacancies are distributed over the Cu and In sites of a CIS cell with fixed Se atoms. With the resulting energy expression, CuIn{sub 3}Se{sub 5} and CuIn{sub 5}Se{sub 8} systems have been studied in the canonical ensemble. By analyzing the free energy landscape the transition temperature between a low-temperature ordered and a high-temperature disordered CuIn{sub 5}Se{sub 8} phase has been determined. Furthermore, grandcanonical ensemble simulations have been carried out, which provide the equilibrium Cu and In concentrations as a function of the chemical potentials {mu}{sub Cu} and {mu}{sub In}. Plateau regions for the CuInSe{sub 2} and the CuIn{sub 5}Se{sub 8} phases have been found and analyzed for different temperatures.

  17. Studying Cu Alloy Corrosion Products in Cooling Liquid

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The effect of cooiing liquid used for heat exchangers on the Cu alloy corrosion products has been examined using potential-time measurements under applied current condition (anodizing), potentiodynamic polarization, X-ray diffraction (XRD) and infrared spectroscopy (IR). The corrosion products formed on the Cu alloy surface during anodizing, are Cu2O, Cu2(OH)3CI, and Cu2S. NaCI is detected in the corrosion products. The film formation depends on the applied current and the shift of potential to nobler direction indicates its formation progress.

  18. Magnetic Properties and Structural Study of Ni-Co/Cu Multilayers Prepared by Electrodeposition Method

    Directory of Open Access Journals (Sweden)

    M. Jafari Fesharaki

    2015-07-01

    Full Text Available Ni-Co/Cu multilayers have been grown by electrodeposition method from a single electrolyte (based on Ni(SO4.6H2O, Co(SO4.7H2O, Cu(SO4 and H3BO3 using galvanostatic control on titanium sublayers. The X-ray diffraction (XRD patterns confirmed the multilayered structure with the nanometer thicknesses. Also, electron diffraction x-ray (EDX  analysis confirmed the purity of deposited samples. The morphology of the samples was estimated by scanning electron microscope (SEM. Magnetoresistance (MR measurements were carried out at room temperature for the Ni-Co/Cu multilayers by measuring the resistivity in a magnetic fields varying between ±6kOe as a function of the Ni-Co and Cu layer thicknesses; (1 dCu(nm 4 and 3 dNi-Cu(nm 5. The Maximum value of giant magnetoresistance (GMR was obtained when the Ni-Co and Cu thicknesses were 4.0nm and 4.0nm respectively. The hysteresis loop of the samples at room temperature was studied using an alternating gradient force magnetometer (AGFM. Finally, the temperature dependence of magnetization for Ni-Co/Cu multilayers; (dNi-Cu(4nm/dCu(2nm and dNi-Cu(3nm/dCu(3nm measured by Faraday balance and decreasing the magnetization with increasing the temperature discussed according to electron scattering due to spin fluctuation.

  19. Application of 67Cu Produced by 68Zn(n,n'p+d)67Cu to Biodistribution Study in Tumor-Bearing Mice

    Science.gov (United States)

    Sugo, Yumi; Hashimoto, Kazuyuki; Kawabata, Masako; Saeki, Hideya; Sato, Shunichi; Tsukada, Kazuaki; Nagai, Yasuki

    2017-02-01

    67Cu produced by the 68Zn(n,n'p+d)67Cu reaction was used for the first time to determine the biodistribution of 67CuCl2 in colorectal tumor-bearing mice. A high uptake of 67Cu was observed in the tumor as well as in the liver and kidney, which are the major organs for copper metabolism. The result showing 67Cu accumulation in the tumor suggests that 67CuCl2 can be a potential radionuclide agent for cancer radiotherapy. It should also encourage further studies on the therapeutic effect on small animals using an increased dose of 67Cu produced by the 68Zn(n,n'p+d)67Cu reaction using presently available intense neutrons.

  20. Spectroscopic and transport studies of Cu2+ ion doped in (40 – )Li2O–LiF–60Bi2O3 glasses

    Indian Academy of Sciences (India)

    D Sreenivasu; V Chandramouli

    2000-12-01

    The preparation of (40 – )Li2O–LiF–60Bi2O3 glassy system and spectroscopic and transport studies of this system are reported. IR results show that this glass consists of [BiO3] units and indicate formation of Bi–F bonds with the addition of LiF. From the ESR spectra of Cu2+ ion, the effective values are found to vary slightly with increasing concentration of fluorine ion. The optical absorption peak corresponding to Cu2+ increased linearly with increasing concentration of LiF between 620 nm and 728 nm except at 2.5 mole% of LiF where its value is 729 nm. This peculiar behaviour is attributed to the varying structural coordination of fluorine as the concentration of lithium fluoride is increased. The ionic conductivity measurements indicate that the conduction is due to adiabatic hopping of polarons and the activation energies are found to be temperature and concentration dependent.

  1. Construction of an ESR-STM for Single Molecular Based Magnets anchored at Surfaces

    CERN Document Server

    Messina, Paul C; Lenci, L; Prato, S; Pittana, P; Gatteschi, Dante; Messina, Paolo; Sigalotti, Paolo; Lenci, Lorenzo; Prato, Stefano; Pittana, Paolo; Gatteschi, Dante

    2004-01-01

    Reading and manipulating the spin status of single magnetic molecules is of paramount importance both for applicative and fundamental purposes. The possibility to combine Electron Spin Resonance (ESR) and Scanning Tunnelling Microscopy (STM) has been explored one decade ago. A few experiments have raised the question whether or not an EPR spectrum of single molecule is detachable. Only a few data have been reported in modern surface science literature. To date it has yet to be proven till which extent ESR can be reliably and reproducibly performed on single molecules. We are setting up a new ESR-STM (spectrometer) to verify and study the effect of spin-spin correlations in the frequency spectrum of the tunneling current which flows through a single magnetic adsorbate and a metal surface. Here we discuss, the major experimental challenges that we are attempting to overcome.

  2. ESR Spectrometer as a Possible Tool for Rapid Analysis of Cane Sugar Purity

    Institute of Scientific and Technical Information of China (English)

    Kheamrutai Thamaphat; Pichet Limsuwan; Siwaporn Meejoo

    2007-01-01

    A method for quantitative/qualitative determination of eane sugar purity by ESR is devised.Relined sugar,plantation white sugar.soft brown sugar and raw sugar are used as samples in this work.The sucrose radical is produced by pulverization of sugar and it increases as the particle size decreases.Based on pulverization-induced sucrose radical.EsR study demonstrates the effects of sugar purity on characteristic of ESR spectrum.The relationshjp between the sucrose contents and peak area under the ESR spectrum is manifested.It is found that the peak area or sucrose radical concentration increases linearly With the increase of sucrose content.Using the linear regression method.the Sucrose amount can be revealed.This approach is a promising fast and accurate method for sugar purity analysis.

  3. ESR response of phenol compounds for dosimetry of gamma photon beams

    Energy Technology Data Exchange (ETDEWEB)

    Marrale, M., E-mail: maurizio.marrale@unipa.it [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, 90128 Palermo (Italy); Gruppo V Sezione INFN, Catania (Italy); Longo, A. [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, 90128 Palermo (Italy); Gruppo V Sezione INFN, Catania (Italy); Panzeca, S. [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, 90128 Palermo (Italy); Gallo, S. [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, 90128 Palermo (Italy); Gruppo V Sezione INFN, Catania (Italy); Principato, F. [Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Edificio 18, 90128 Palermo (Italy); Tomarchio, E.; Parlato, A. [Dipartimento Energia, Ingegneria dell’Informazione e Modelli Matematici, Università di Palermo, Viale delle Scienze, Ed. 6, I-90128 Palermo (Italy); Buttafava, A.; Dondi, D.; Zeffiro, A. [Dipartimento di Chimica, Università di Pavia, V.le Taramelli, 12 Pavia, Italy and INFN, Sezione di Pavia, Pavia, Italy. (Italy)

    2014-11-15

    In the present paper we investigate the features of IRGANOX® 1076 phenols as a material for electron spin resonance (ESR) dosimetry. We experimentally analyzed the ESR response of pellets of IRGANOX® 1076 phenols irradiated with {sup 60}Co photons. The best experimental parameters (modulation amplitude and microwave power) for dosimetric applications have been obtained. The dependence of ESR signal as function of γ dose is found to be linear in the dose range studied (12–60 Gy) and the lowest measurable dose is found to be of the order of 1 Gy. The signal after irradiation is very stable in the first thirty days. From the point of view of the tissue equivalence, these materials have mass energy absorption coefficient values comparable with those of soft tissue.

  4. XPS study of Cu-Ni bimetallic catalyst%Cu-Ni双金属催化剂的XPS研究

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    采用XPS方法研究了以不同方式引入Ni的Cu-Ni/Al2O3双金 属催化剂的表面结构及不同处理条件对催化剂表面结构的影响。发现催化剂表面存在表面铝 酸盐物种,且Ni的存在会促进表面铝酸盐物种的生成。催化剂经H2还原处理或经CO2加 氢反应后均要发生表面重构。Ni的存在会影响表面重构过程从而影响催化剂的活性和选择性 ,在所研究的含Ni催化剂上,CO2加氢反应经历了生成双齿表面吸附中间物的过程。%The surface structure of Cu-Ni bimetallic catalysts and its variation with diff erent treatment conditions were studied by XPS techique.The effect of the chemi cal state of Ni before the impregnation of Cu in catalyst preparation on the sur f ace structure and its variation were also investigated.It is found that Cu atom approaches the surface of Al2O3 when it is supported.Surface aluminates a re formed on the surface of the catalysts and the presence of Ni favorites the f ormation of surface aluminates.The surface content of Cu is increased when Ni e x isted in reduced form before the introduction of Cu,while the opposite is true w hen Ni existed in oxidized form before introduction of Cu.Surface reconstructio n is observed when the samples studied are reduced in H2 or treated under CO 2 hydrogenation condition.The hydrogenation of CO2 enriches the surface c ontenrt of Cu species comparing to reduction.After CO2 hydrogenation treat ment,Cu species is observed to migrate to the surface of the catalyst in the abs ence of Ni,while in the presence of Ni surface is remarkably decreased.Bidentat e CO2 adsorptive species with the two O of CO2 cooordinated to metal atom s is a possible intermediate in the hydrogenation of CO2 over Ni containing c atalyst studied.

  5. Electron Spin Resonance (ESR) Studies on the Formation of Roasting-Induced Antioxidative Structures in Coffee Brews at Different Degrees of Roast

    NARCIS (Netherlands)

    Bekedam, E.K.; Schols, H.A.; Cämmerer, B.; Kroh, L.W.; Boekel, van M.A.J.S.; Smit, G.

    2008-01-01

    The antioxidative properties of coffee brew fractions were studied using electron spin resonance spectroscopy using 2,2,6,6-tetramethyl-1-piperidin-1-oxyl (TEMPO) and Fremy¿s salt (nitrosodisulfonate) as stabilized radicals. TEMPO was scavenged by antioxidants formed during roasting and not by chlor

  6. Electron Spin Resonance (ESR) Studies on the Formation of Roasting-Induced Antioxidative Structures in Coffee Brews at Different Degrees of Roast

    NARCIS (Netherlands)

    Bekedam, E.K.; Schols, H.A.; Cämmerer, B.; Kroh, L.W.; Boekel, van M.A.J.S.; Smit, G.

    2008-01-01

    The antioxidative properties of coffee brew fractions were studied using electron spin resonance spectroscopy using 2,2,6,6-tetramethyl-1-piperidin-1-oxyl (TEMPO) and Fremy¿s salt (nitrosodisulfonate) as stabilized radicals. TEMPO was scavenged by antioxidants formed during roasting and not by

  7. Microwave Synthesis, Spectral, Thermal and Antimicrobial Studies of Some Co(II), Ni(II) and Cu(II) Complexes Containing 2-Aminothiazole Moiety

    OpenAIRE

    A. P. Mishra; H. Purwar; Rajendra K. Jain; S.K Gupta

    2012-01-01

    Some new Schiff base metal complexes of Co(II), Ni(II) and Cu(II) derived from 4-chlorobenzylidene-2-aminothiazole (CAT) and 2-nitrobenzylidene-2-aminothiazole (NAT) have been synthesized by conventional as well as microwave methods. These compounds have been characterized by elemental analysis, FT-IR, FAB-mass, molar conductance, electronic spectra, ESR, magnetic susceptibility, thermal, electrical conductivity and XRD analysis. The complexes are coloured and stable in air. Analytical data r...

  8. Near-IR and ESR studies of the radical anions of C60 and C70 in the system fullerene-primary amine

    Science.gov (United States)

    Lobach, A. S.; Goldshleger, N. F.; Kaplunov, M. G.; Kulikov, A. V.

    1995-09-01

    The excited state proton transfer rate of 4-hydroxy-1-naphthalenesulphonate has been studied in methanol-water and ethanol-water mixtures. The lifetimes of the probe are measured at six different temperatures between 5 and 60°C. The decay is single exponential in the long time regime and proton transfer rates have been found to increase with the square of the concentration of water in alcohol-water mixtures. The decay has been explained by a new model proposing a water dimer to be the effective proton acceptor in the proton transfer process.

  9. Fabrication of electrodeposited Ni-Cu/Cu multilayered films and study of their nanostructures before and after annealing

    Directory of Open Access Journals (Sweden)

    I Kazeminezhad

    2008-07-01

    Full Text Available  In this work electrodeposited Ni-Cu/Cu metallic multilayered films with different thicknesses of Ni and Cu were prepared on (100 polycrystalline Cu substrates. The nanostructure of the multilayers was studied using XRD. The existence of satellite peaks in the XRD patterns showed that the multilayered films have superlattice structures. The difference between the intensity of ML(200 and ML(111 peaks showed that the multilayers have a strong texture of (100 as their substrate structures which confirms the epitaxial growth. The morphology of the films was studied by SEM. The SEM images showed that the surface of the films is rough. The samples were also analyzed using EDX and the results showed that the real content of Ni is less than its nominal content this refers to the current efficiency which is less than unity due to hydrogen evolution. In the second stage of the work some identical samples which have the highest order of satellite peaks were electrodeposited. The samples were annealed at different temperatures and times. Their structures were then studied by XRD. The XRD patterns of the annealed samples showed that if the temperature and time of annealing increase, the satellite peaks begin to disappear. It means by increasing these two parameters, the sharpness of the bilayer interface decreases and the multilayered structure tends to become alloy structure. The morphology of the samples was also studied by SEM. The SEM images showed that the surface of the annealed films becomes approximately uniform due to the diffusion of Ni and Cu atoms to Cu and Ni layers, respectively.

  10. Origin of the ESR spectrum in the Prussian blue analog RbMn[Fe(CN)(6)]center dot H2O

    NARCIS (Netherlands)

    Antal, A.; Janossy, A.; Forro, L.; Vertelman, E. J. M.; van Koningsbruggen, P. J.; van Loosdrecht, P. H. M.

    2010-01-01

    We present an electron spin resonance (ESR) study at excitation frequencies of 9.4 and 222.4 GHz of powders and single crystals of a Prussian blue analog (PBA), RbMn[Fe(CN)(6)]center dot H2O in which Fe and Mn undergoes a charge-transfer transition between 175 and 300 K. The ESR of PBA powders, also

  11. Ab initio contribution to the study of complexes formed during dilute FeCu alloys radiation

    CERN Document Server

    Becquart, C S

    2003-01-01

    Cu plays an important role in the embrittlement of pressure vessel steels under radiation and entities containing both Cu atoms and vacancies seem to appear as a consequence of displacement cascades. The characterisation of the stability as well as the migration of small Cu-vacancy complexes is thus necessary to understand and simulate the formation of these entities. For instance, cascade ageing studied by kinetic Monte Carlo or by rate theory models requires a good characterisation of such complexes which are parameters for these methods. We have investigated, by ab initio calculations based on the density functional theory, point defects and small defects in dilute FeCu alloys. The structure of small Cu clusters and Cu-vacancy complexes has been determined, as well as their formation and binding energies. Their relative stability is discussed. Vacancy migration energies in the presence of Cu atoms have been calculated and analysed. All the results are compared to the figures obtained with empirical interat...

  12. Study of the tolerance of Hippochaete ramosissimum to Cu stress

    Institute of Scientific and Technical Information of China (English)

    LIU; Dengyi; LI; Ying; CHU; Ling; WANG; Guanglin; WANG; Lil

    2005-01-01

    We investigated the tolerance of Hippochaete ramosissimum and the changes in physiological metabolism following exposure to copper using pot experiments and analyzing plant physiology and biochemistry. The results showed that Cu tolerance in Hippochaete ramosissimum varied significantly between different populations; the tolerance of plants living in Cu polluted areas for extended periods of time exceeded that of plants living in unpolluted areas.SOD and POD activities in highly Cu tolerant plants increased noticeably following exposure to Cu. This indicates that maintaining and increasing the two kinds of protective enzyme activities are the primary foundations of plant tolerance. However, no change in CAT activity was demonstrated following Cu exposure. In summary, there existed considerable differences in physiological metabolism between different populations of Hippochaete ramosissimum following exposure to Cu.

  13. Association of ESR1 gene tagging SNPs with breast cancer risk

    DEFF Research Database (Denmark)

    Dunning, Alison M; Healey, Catherine S; Baynes, Caroline

    2009-01-01

    We have conducted a three-stage, comprehensive single nucleotide polymorphism (SNP)-tagging association study of ESR1 gene variants (SNPs) in more than 55,000 breast cancer cases and controls from studies within the Breast Cancer Association Consortium (BCAC). No large risks or highly significant...

  14. Investigation on association and expression of ESR2 as a candidate gene for boar sperm quality and fertility.

    Science.gov (United States)

    Gunawan, A; Cinar, M U; Uddin, M J; Kaewmala, K; Tesfaye, D; Phatsara, C; Tholen, E; Looft, C; Schellander, K

    2012-10-01

    ESR2 is involved in oestrogen-related apoptosis in cell cycle spermatogenesis but their effects have not yet confirmed in pig. Therefore, this study was aimed to investigate the association of ESR2 polymorphism with sperm quality and boar fertility traits and to analyse the ESR2 mRNA and protein expressions in boar reproductive tissues. DNA samples from 203 Pietrain (PI) and 100 Pietrain × Hampshire (PIHA) pigs with records of sperm quality [sperm concentration (SCON), motility (MOT), semen volume (VOL), plasma droplet rate (PDR) and abnormal spermatozoa rate (ASR)] and fertility [non-return rate (NRR) and number of piglet born alive (NBA)] traits were available. A SNP in coding region of ESR2 g.35547A>G in exon 5 was associated with MOT and PDR in the PI and with SCON, VOL, MOT and PDR in PIHA population. For mRNA and protein expression study, a total of six boars were divided into two groups with group I (G-I) and group II (G-II) where G-I characterized for relatively a better sperm quality according to the mean of two groups. mRNA expression was higher in brain and testis than that in all parts of epididymis. Both qRT-PCR and western blot analysis revealed that the ESR2 gene expression and protein expression were significantly higher in testis collected from G-II compared with that of G-I boars. Moreover, ESR2 protein localization in germ cell, Leydig and Sertoli cells, epithelial cells and spermatozoa was remarkable, which indicated the important role of ESR2 in spermatogenesis process. These results might shed new light on the roles of ESR2 in spermatogenesis as candidate for boar fertility, but still the lack of association across populations should be considered. © 2011 Blackwell Verlag GmbH.

  15. Status and outlook of the CRYRING@ESR project

    Energy Technology Data Exchange (ETDEWEB)

    Geithner, W., E-mail: w.geithner@gsi.de; Andelkovic, Z.; Beck, D.; Bräuning, H.; Bräuning-Demian, A. [GSI Helmholtzzentrum für Schwerionenforschung (Germany); Danared, H. [European Spallation Source ESS (Sweden); Dimopoulou, C. [GSI Helmholtzzentrum für Schwerionenforschung (Germany); Engström, M. [Fysikum, Stockholm University (Sweden); Fedotova, S.; Gorda, O.; Herfurth, F.; Hess, R. [GSI Helmholtzzentrum für Schwerionenforschung (Germany); Källberg, A. [Fysikum, Stockholm University (Sweden); Kleffner, C.; Kotovskiy, N.; Kraus, I.; Lestinsky, M.; Litvinov, S.; Nolden, F.; Reiter, A. [GSI Helmholtzzentrum für Schwerionenforschung (Germany); and others

    2017-11-15

    Once operational, CRYRING@ESR will store and decelerate ions delivered by the experimental storage ring ESR at energies well below those of ESR. In addition to that, CRYRING@ESR has an electron cooler operating with an ultracold electron beam, allowing to provide cooled ion beams for precision experiments. These ions will be delivered to a broad range of experiments presently in preparation; either in-ring or extracted to a dedicated beamline for experiments. An overview and status report of the installation and commissioning of the CRYRING-@ESR storage ring for highly charged ions at the GSI Helmholtzzentrum für Schwerionenforschung is presented. The installation of this storage ring started in 2014 and was completing end of 2016, when this publication was written.

  16. Criticality accident dosimetry with ESR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    D`Errico, F. [DCMN, Universita degli Studi di Pisa (Italy); Fattibene, P.; Onori, S.; Pantaloni, M. [Istituto Superiore di Sanita, Rome (Italy). Lab. di Fisica

    1997-01-01

    The suitability of the ESR alanine and sugar detectors for criticality accident dosimetry was experimentally investigated during an intercomparison of dosimetry techniques. Tests were performed irradiating detectors both free-in-air and on-phantom during controlled criticality excursions at the SILENE reactor in Valduc, France. Several grays of absorbed dose were imparted in neutron gamma-ray fields of various relative intensities and spectral distributions. Analysed results confirmed the potential of these systems which can immediately provide an acute dose assessment with an average underestimate of 30% in the various fields. This performance allows for the screening of severely exposed individuals and meets the IAEA recommendations on the early estimate of accident absorbed doses. (Author).

  17. Droplet digital polymerase chain reaction assay for screening of ESR1 mutations in 325 breast cancer specimens.

    Science.gov (United States)

    Takeshita, Takashi; Yamamoto, Yutaka; Yamamoto-Ibusuki, Mutsuko; Inao, Toko; Sueta, Aiko; Fujiwara, Saori; Omoto, Yoko; Iwase, Hirotaka

    2015-12-01

    Droplet digital polymerase chain reaction (ddPCR), which could perform thousands of PCRs on a nanoliter scale simultaneously, would be an attractive method to massive parallel sequencing for identifying and studying the significance of low-frequency rare mutations. Recent evidence has shown that the key potential mechanisms of the failure of aromatase inhibitors-based therapy involve identifying activating mutations affecting the ligand-binding domain of the ESR1 gene. Therefore, the detection of ESR1 mutations may be useful as a biomarker predicting an effect of the treatment. We aimed to develop a ddPCR-based method for the sensitive detection of ESR1 mutations in 325 breast cancer specimens, in which 270 primary and 55 estrogen receptor-positive (ER+) metastatic breast cancer (MBC) specimens. Our ddPCR assay could detect the ESR1 mutant molecules with low concentration of 0.25 copies/μL. According to the selected cutoff, ESR1 mutations occurred in 7 (2.5%) of 270 primary breast cancer specimens and in 11 (20%) of 55 ER+ MBC specimens. Among the 11 MBC specimens, 5 specimens (45.5%) had the most common ESR1 mutation, Y537S, 4 specimens (36.3%) each had D538G, Y537N, and Y537C. Interestingly, 2 patients had 2 ESR1 mutations, Y537N/D538G and Y537S/Y537C, and 2 patients had 3 ESR1 mutations, Y537S/Y537N/D538G. Biopsy was performed in heterochrony in 8 women twice. In 8 women, 4 women had primary breast cancer and MBC specimens and 4 women had 2 specimens when treatment was failure. Four of these 8 women acquired ESR1 mutation, whereas no ESR1 mutation could be identified at first biopsy. ddPCR technique could be a promising tool for the next-generation sequencing-free precise detection of ESR1 mutations in endocrine therapy resistant cases and may assist in determining the treatment strategy.

  18. THERMODYNAMIC STUDIES ON THE ADSORPTION OF Cu2+ ...

    African Journals Online (AJOL)

    possesses many physical and chemical properties resulting from its ... trimethyl ammonium bromide and TETA, whose adsorption effect to organic pollutant and .... c (mg/L). TEPA-Bn. Cu. Ni. Cd. Figure 4. Cu2+, Ni2+ and Cd2+ adsorption on to ... In addition, the hydroxyl groups on the ..... Liu, Z.R.; Zhou, S.Q. Process Safe.

  19. NMR and ESR characterization of activated carbons produced from pecan shells

    Science.gov (United States)

    A large number of solid-state NMR and ESR experiments were explored as potential tools to study chemical structure, mobility, and pore volume of activated carbon. We used a model system where pecan shells were activated with phosphoric acid, and carbonized at 450ºC for 4 h with varying amounts of ai...

  20. Microwave synthesis, spectral, thermal and antimicrobial studies of some Ni(II and Cu(II Schiff base complexes

    Directory of Open Access Journals (Sweden)

    A P Mishra

    2012-05-01

    Full Text Available Bidentate and tridentate (NO, (ONO Schiff bases have been synthesized by condensing methyl isobutyl ketone with 2-amino-4-chlorophenol and 2-hydroxy acetophenone with isonicotinic acid hydrazide. The 1:1 or 1:2 metal complexes have been prepared by interacting these Schiff bases with metal ions viz. Ni(II, Cu(II. These compounds have been synthesized by conventional as well as microwave methods and characterized by elemental analysis, FT-IR, UV-Vis, ESR, molar conductance, thermal analysis and X-ray diffraction. The complexes are colored and stable in air at room temperature. The thermal behavior of metal complexes shows that the hydrated complexes loses water molecules of hydration in the first step; followed by decomposition of ligand molecules in the subsequent steps. Crystal data of [Ni(HINH(H2O]Cl.3H2O complex a = b =13.9338Ǻ, c = 34.7975Ǻ, V = 6755.96Ǻ3, Z = 12, Dobs = 1.2421g/cm3, Dcal 1.2847g/cm3, reflect that this complex has crystallized in orthorhombic system. The solid state electrical conductivity of the metal complexes has also been measured. Solid state electrical conductivity studies reflect semiconducting nature of the complexes. The Schiff bases and metal complexes show good activity against the Gram-positive bacteria; Staphylococcus aureus and Gram-negative bacteria; Escherichia coli and fungi Aspergillus niger and Candida albicans. The antimicrobial results also indicate that the metal complexes are better antimicrobial agents as compared to the Schiff bases.

  1. Sulfide anion interaction with Cu(100) and Cu modified Au(100): An electrochemical STM study

    Energy Technology Data Exchange (ETDEWEB)

    Schlaup, Christian; Spaenig, Alexander; Wandelt, Klaus [Institute of Physical and Theoretical Chemistry, University of Bonn (Germany); Broekmann, Peter [Department of Chemistry and Biochemistry, University of Berne Berne (Switzerland)

    2010-02-15

    We describe the formation of thin copper sulfide semiconductor films under electrochemical conditions. In a first step we investigated the fundamental interaction of the Cu(100) surface with a sulfide anions containing electrolyte. Beside the classical p(2 x 2)-S and c(2 x 6)-S adlayer phases we found the formation of a closer packed ''pseudo-c(2 x 2)''-S phase accompanied by an expansion of the topmost copper layer. For a further investigation of this ''pseudo-c(2 x 2)''-S phase, we switched from the bulk Cu(100) electrode to a copper monolayer on a Au(100) electrode, which can be easily prepared using copper underpotential deposition. Since such a copper monolayer is pseudomorphic to the Au(100) surface and therefore expanded by 12.5% with respect to the bulk Cu(100)-plane, exclusively a commensurate c(2 x 2)-S structure is instantaneously formed and remains stable over a wide potential range. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  2. Study of Cu and Pb partitioning in mine tailings using the Tessier sequential extraction scheme

    Science.gov (United States)

    Andrei, Mariana Lucia; Senila, Marin; Hoaghia, Maria Alexandra; Borodi, Gheorghe; Levei, Erika-Andrea

    2015-12-01

    The Cu and Pb partitioning in nonferrous mine tailings was investigated using the Tessier sequential extraction scheme. The contents of Cu and Pb found in the five operationally defined fractions were determined by inductively coupled plasma optical emission spectrometry. The results showed different partitioning patterns for Cu and Pb in the studied tailings. The total Cu and Pb contents were higher in tailings from Brazesti than in those from Saliste, while the Cu contents in the first two fractions considered as mobile were comparable and the content of mobile Pb was the highest in Brazesti tailings. In the tailings from Saliste about 30% of Cu and 3% of Pb were found in exchangeable fraction, while in those from Brazesti no metals were found in the exchangeable fraction, but the percent of Cu and Pb found in the bound to carbonate fraction were high (20% and 26%, respectively). The highest Pb content was found in the residual fraction in Saliste tailings and in bound to Fe and Mn oxides fraction in Brazesti tailings, while the highest Cu content was found in the fraction bound to organic matter in Saliste tailings and in the residual fraction in Brazesti tailings. In case of tailings of Brazesti medium environmental risk was found both for Pb and Cu, while in case of Saliste tailings low risk for Pb and high risk for Cu were found.

  3. Spectroscopic studies of jet-cooled CuAg

    Science.gov (United States)

    Bishea, Gregory A.; Marak, Ninette; Morse, Michael D.

    1991-10-01

    Resonant two-photon ionization spectroscopy has been applied to jet-cooled diatomic CuAg. Four band systems have been observed, three of which have been rotationally resolved and analyzed. The ground state is X 1Σ+ in symmetry, deriving from the 3d10Cu4d10Agσ2 molecular configuration. Its bond length has been determined as r0=2.3735±0.0006 Å (1σ error limits). Based on an analysis of the possible separated atom limits, three of the excited states observed (A 0+, A' 1, and B' 0+ ) are assigned as primarily 3d9Cu4d10Agσ2σ* in character. The observation of unusually large electronic isotope shifts in the A-X, A'-X, and B'-X band systems, similar in magnitude to those previously observed in the A-X and B-X systems of Cu2 and the s←d excitations in atomic copper, provides further confirmation that these excited states derive from the 3d9Cu4d10Agσ2σ* molecular configuration. Finally, the highest energy state observed in this work is argued to be primarily ion pair in character, and is expected to have significant contributions from both the Cu+Ag- and Cu-Ag+ ion pair states.

  4. High-pressure study of the new Y-Ba-Cu-O superconducting compound system

    Science.gov (United States)

    Hor, P. H.; Gao, L.; Meng, R. L.; Huang, Z. J.; Wang, Y. Q.

    1987-01-01

    Hydrostatic effects on the superconducting transition temperature of the Y-Ba-Cu-O compound system, resistively, up to 19 kbar are investigated. It is found that pressure has little effect on the superconducting state of Y-Ba-Cu-O, in marked contrast to the behavior of the K2NiF4-phase La-Ba-Cu-O and La-Sr-Cu-O systems. It is suggested that this effect may be due to chemical pressure associated with the smaller Y atoms already present in Y-Ba-Cu-O. X-ray powder-diffraction studies show that the high-temperature superconductivity in Y-Ba-Cu-O can only be attributed to one or more phases with structures different from the cubic perovskite or tetragonal layered ones.

  5. ESR spectroscopy for detecting gamma-irradiated dried vegetables and estimating absorbed doses

    Science.gov (United States)

    Kwon, Joong-Ho; Chung, Hyung-Wook; Byun, Myung-Woo

    2000-03-01

    In view of an increasing demand for food irradiation technology, the development of a reliable means of detection for the control of irradiated foods has become necessary. Various vegetable food materials (dried cabbage, carrot, chunggyungchae, garlic, onion, and green onion), which can be legally irradiated in Korea, were subjected to a detection study using ESR spectroscopy. Correlation coefficients ( R2) between absorbed doses (2.5-15 kGy) and their corresponding ESR signals were identified from ESR signals. Pre-established threshold values were successfully applied to the detection of 54 coded unknown samples of dried clean vegetables ( chunggyungchae, Brassica camestris var. chinensis), both non-irradiated and irradiated. The ESR signals of irradiated chunggyungchae decreased over a longer storage time, however, even after 6 months of ambient storage, these signals were still distinguishable from those of non-irradiated samples. The most successful estimates of absorbed dose (5 and 8 kGy) were obtained immediately after irradiation using a quadratic fit with average values of 4.85 and 8.65 kGy being calculated.

  6. ESR dating of tooth enamel from yunxian homo erectus site, China

    Science.gov (United States)

    Chen, Tie-Mei; Yang, Quan; Hu, Yan-Qiu; Bao, Wen-Bo; Li, Tian-Yuan

    Two almost complete fossil hominid crania (EV9001 and EV9002) were found in 1989 and 1990 in Middle Pleistocene terrace deposit of Han River, Yunxian county, Hubei province, China. They are classified as Homo erectus. Nine fossil animal teeth stratigraphically associated with the skulls were selected for electron spin resonance (ESR) dating. The simple exponential function was used for determination of the accumulated dose De and its appropriateness was discussed on the base of the experimental study. The closed system assumption was checked and the early uranium uptake model was applied to age determination. A mean age value was yielded to be 581±93 ka. It deviates from the palaeomagnetic dating result of 830-870 ka. Micro-regional complete saturation of ESR signal in enamel of very high U-content may account for the underestimation of ESR ages. Nevertheless both ESR and palaeomagnetic dating results place Yunxian crania in between the Homo erectus of Lantian and Zhoukoudian, which means that Yunxian crania constitute an important link in the human evolutionary lineage of China.

  7. Study on hardness and microstructural characteristics of sand cast Al–Si–Cu alloys

    Indian Academy of Sciences (India)

    Muzaffer Zeren; Erdem Karakulak

    2009-12-01

    In this study, the influence of Cu content on the hardness and microstructural characteristics of sand cast Al–Si–Cu alloys have been investigated. Al–Si alloys with 2% and 5% Cu have been utilized for this purpose. Solidification of Al–Si–Cu alloys have been realized by melting in a gas furnace with a crucible and casting in green sand molds at 690°C. The solution treatment has been performed at 500°C for 7 h and then specimens were quenched in water. The samples have been aged at 190°C for 15 h to observe the effect of aging on mechanical properties.

  8. Study of the /sup 65/Cu(n,. gamma. )/sup 66/Cu reaction

    Energy Technology Data Exchange (ETDEWEB)

    Delfini, M.G. (Stichting voor Fundamenteel Onderzoek der Materie, Petten, Netherlands); Kopecky, J.; Liou, H.I.; Chrien, R.E.; Endt, P.M.

    1983-08-08

    Capture of polarized thermal, unpolarized thermal, 2 and 24 keV neutrons in enriched /sup 65/Cu has been investigated. Of the observed 424 ..gamma..-rays 346 could be placed in a level scheme including 99 levels. The reaction Q-value amounts to 7065.97(11) keV. Gamma-ray circular polarization analysis suggests that thermal capture is dominated by the Jsup(..pi..) = 2/sup -/ component in the capture state and results in unambiguous spin assignments for some low-lying levels. For six more levels unambiguous spin assignments have been obtained from the decay scheme.

  9. Synthesis of 15N omega-hydroxy-L-arginine and ESR and 15N-NMR studies for the elucidation of the molecular mechanism of enzymic nitric oxide formation from L-arginine.

    Science.gov (United States)

    Clement, B; Schnörwangen, E; Kämpchen, T; Mordvintcev, P; Mülsch, A

    1994-12-01

    N omega-Hydroxy-L-arginine (2) was prepared by a multi-stage synthesis; the key step was the addition of hydroxylamine to the protected cyanamide 8. The presence of N-hydroxyguanidines was confirmed, above all, by 15N-NMR investigations. 15N omega-Hydroxy-L-arginine (2) was converted quantitatively to 15NO by NO synthases from macrophages. 15NO was identified by ESR-spectroscopy. These experiments confirm that 15N omega-hydroxy-L-arginine (2) is an intermediate in the biosynthesis of NO from arginine (1) and that the N-hydroxylated N-atom is present in the NO formed.

  10. Strong resistance of Arabidopsis thaliana and Raphanus sativus seeds for ionizing radiation as studied by ESR, ENDOR, ESE spectroscopy and germination measurement: Effect of long-lived and super-long-lived radicals

    Science.gov (United States)

    Kumagai, Jun; Katoh, Hiromi; Kumada, Takayuki; Tanaka, Atsushi; Tano, Shigemitsu; Miyazaki, Tetsuo

    2000-01-01

    Resistance of seeds for ionizing radiation effects on Arabidopsis thaliana and Raphanus sativus seeds were investigated by ESR, ENDOR, ESE spectroscopy and germination measurement. Two types of free radicals, such as long-lived (LL) and super-long-lived (SL) radicals, were produced by the γ-irradiation in the seeds. More than 90% of the 1 kGy-irradiated-seeds can germinate probably by decreasing the LL radicals by absorbing water. 10 kGy-irradiated-seeds cannot germinate at all probably due to the existence of significant amounts of the SL radicals even after absorbing water.

  11. Strong resistance of Arabidopsis thaliana and Raphanus sativus seeds for ionizing radiation as studied by ESR, ENDOR, ESE spectroscopy and germination measurement: Effect of long-lived and super-long-lived radicals

    Energy Technology Data Exchange (ETDEWEB)

    Kumagai, Jun E-mail: kumagai@apchem.nagoya-u.ac.jp; Katoh, Hiromi; Kumada, Takayuki; Tanaka, Atsushi; Tano, Shigemitsu; Miyazaki, Tetsuo

    2000-01-01

    Resistance of seeds for ionizing radiation effects on Arabidopsis thaliana and Raphanus sativus seeds were investigated by ESR, ENDOR, ESE spectroscopy and germination measurement. Two types of free radicals, such as long-lived (LL) and super-long-lived (SL) radicals, were produced by the {gamma}-irradiation in the seeds. More than 90% of the 1 kGy-irradiated-seeds can germinate probably by decreasing the LL radicals by absorbing water. 10 kGy-irradiated-seeds cannot germinate at all probably due to the existence of significant amounts of the SL radicals even after absorbing water. (author)

  12. Study of diffusion of Ag in Cu single crystals

    CERN Document Server

    Wang, R

    2002-01-01

    4.0 MeV sup 7 Li sup + sup + RBS and AES were used for investigations of thermal diffusion of Ag in Cu single crystals. The annealing of samples was carried out in vacuum in the temperature range from 498 to 613 K. The element depth concentration profiles transformed from RBS spectra indicate that the diffusion of Ag into Cu is a typical volume diffusion. The Arrhenius parameters corresponding to the diffusion were obtained.

  13. FTIR study of acetone oxime interaction with H-ZSM-5 and Cu-ZSM-5

    Science.gov (United States)

    Simakov, Andrey V.; Stoyanov, Evgenii S.; Rebrov, Evgenii V.; Sazonova, N. N.

    2004-08-01

    Copper based catalysts are of great importance as catalysts for NO removal from exhaust industrial gases. Earlier authors have shown that NO reaction with acetone oxime (AO) is the rate determining step of NO catalytic reduction by propane over Cu-ZSM-5 catalyst at temperatures below 300oC. Aim of the present work is to clarify the peculiarities of acetone oxime coordination over surface of H-ZSM-5 zeolite and that doped with Cu(II) and Cu(I)-cations. We studied AO coordination in CCl4 solutions and then data obtained were used for analysis of spectra of AO adsorbed on pure zeolite and that dopped with Cu (I) and Cu (II) cations. It was shown that there are monomers and several associates of AO in CCl4 solution differing in size and type of bonding with their own characteristic bands in IR spectra. The spectrum of acetone oxime adsorbed on pure zeolite includes non symmetrical band at 1710 cm-1 due to AO strongly bonded with zeolite surface through H-bond. There are four AO adspecies on zeolite dopped with copper with two different types of AO coordination to Cu(I) or to Cu(II) cations: one with participation of O atom and another one with N atom. Complexes of AO with Cu(I) ions are much more stable then those with Cu(II) ions.

  14. Structural study of CuZr and Cu50Zr45Al5 metallic glasses in relation to their GFA and mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Kaban, Ivan; Escher, Benjamin; Eckert, Juergen [TU Dresden, Institute of Materials Science (Germany); IFW Dresden, Institute for Complex Materials (Germany); Jovari, Pal [Institute for Solid State Physics and Optics, Budapest (Hungary); Webb, Adam; Regier, Tom [Canadian Light Source, Saskatoon (Canada); Beuneu, Brigitte [Laboratoire Leon Brillouin, CEA-Saclay (France); Kokotin, Valentin [ThyssenKrupp Steel Europe AG, Duisburg (Germany); Mattern, Norbert [IFW Dresden, Institute for Complex Materials (Germany)

    2014-07-01

    In this work we investigate the atomic structure of CuZr and Cu50Zr45Al5 metallic glasses in view of their glass-forming ability and mechanical properties. Using a combination of the state-of-the-art experimental techniques (synchrotron X-ray diffraction and absorption spectroscopy and neutron diffraction), reverse Monte-Carlo simulation and Molecular Dynamics modelling we have obtained partial pair distribution functions, coordination numbers and bond lengths for the glasses studied. Remarkable differences are found for the total as well as for the partial pair distributions in the CuZr and Cu50Zr45Al5 metallic glasses, especially for the Cu-Cu and Zr-Zr pairs at the second and higher coordination shells, suggesting important role of the medium-range order in the glass formation and in the mechanical behaviour.

  15. Synthesis, physico-chemical investigations of Co(II), Ni(II) and Cu(II) complexes and their in vitro microbial, cytotoxic, DNA cleavage studies.

    Science.gov (United States)

    Bagihalli, Gangadhar B; Patil, Sangamesh A

    2010-06-01

    A series of metal complexes of cobalt(II), nickel(II), and copper(II) have been synthesized with newly derived biologically active ligands. These ligands were synthesized by the condensation of 2-amino-4-phenyl-1,3-thiazole with 8-formyl-7-hydroxy- 4-methylcoumarin. The probable structure of the complexes has been proposed on the basis of analytical and spectroscopic data (IR, UV-Vis, ESR, FAB-mass, and thermoanalytical). Electrochemical study of the complexes is also reported. Elemental analysis of the complexes confined them to stoichiometry of the type ML(2).2H(2)O [M = Co(II), Ni(II), and Cu(II)]. The Schiff base and its metal(II) complexes have been screened for their antibacterial (Escherichia coli, Staphylococcus aureus, Staphylococcus pyogenes, and Pseudomonas aeruginosa) and antifungal activities (Aspergillus niger, Aspergillus flavus, and Cladosporium) by the MIC method. The brine shrimp bioassay was carried out to study their in vitro cytotoxic properties, and also the Schiff base and its metal(II) complexes have been studied for DNA cleavage.

  16. Modified Ni-Cu catalysts for ethanol steam reforming

    Science.gov (United States)

    Dan, M.; Mihet, M.; Almasan, V.; Borodi, G.; Katona, G.; Muresan, L.; Lazar, M. D.

    2013-11-01

    Three Ni-Cu catalysts, having different Cu content, supported on γ-alumina were synthesized by wet co-impregnation method, characterized and tested in the ethanol steam reforming (ESR) reaction. The catalysts were characterized for determination of: total surface area and porosity (N2 adsorption - desorption using BET and Dollimer Heal methods), Ni surface area (hydrogen chemisorption), crystallinity and Ni crystallites size (X-Ray Diffraction), type of catalytic active centers (Hydrogen Temperature Programmed Reduction). Total surface area and Ni crystallites size are not significantly influenced by the addition of Cu, while Ni surface area is drastically diminished by increasing of Cu concentration. Steam reforming experiments were performed at atmospheric pressure, temperature range 150-350°C, and ethanol - water molar ration of 1 at 30, using Ar as carrier gas. Ethanol conversion and hydrogen production increase by the addition of Cu. At 350°C there is a direct connection between hydrogen production and Cu concentration. Catalysts deactivation in 24h time on stream was studied by Transmission Electron Microscopy (TEM) and temperature-programmed reduction (TPR) on used catalysts. Coke deposition was observed at all studied temperatures; at 150°C amorphous carbon was evidenced, while at 350°C crystalline, filamentous carbon is formed.

  17. Systematic Study of Azimuthal Anisotropy in Cu$+$Cu and Au$+$Au Collisions at $\\sqrt{s_{_{NN}}} = 62.4$ and 200 GeV

    OpenAIRE

    Adare, A.; Afanasiev, S.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Al-Bataineh, H.; Al-Jamel, A.; Alexander, J.; Aoki, K.; Aphecetche, L.; Armendariz, R. (R.); Aronson, S H; Asai, J.; Atomssa, E. T.; Averbeck, R.

    2014-01-01

    We have studied the dependence of azimuthal anisotropy $v_2$ for inclusive and identified charged hadrons in Au$+$Au and Cu$+$Cu collisions on collision energy, species, and centrality. The values of $v_2$ as a function of transverse momentum $p_T$ and centrality in Au$+$Au collisions at $\\sqrt{s_{_{NN}}}$=200 GeV and 62.4 GeV are the same within uncertainties. However, in Cu$+$Cu collisions we observe a decrease in $v_2$ values as the collision energy is reduced from 200 to 62.4 GeV. The dec...

  18. Adsorption of Cu phthalocyanine on Pt modified Ge(001): A scanning tunneling microscopy study

    NARCIS (Netherlands)

    Saedi, Amirmehdi; Berkelaar, Robin P.; Kumar, Avijit; Poelsema, Bene; Zandvliet, Harold J.W.

    2010-01-01

    The adsorption configurations of copper phthalocyanine (CuPc) molecules on platinum-modified Ge(001) have been studied using scanning tunneling microscopy. After deposition at room temperature and cooling down to 77 K the CuPc molecules are still dynamic. However, after annealing at 550±50 K, the ad

  19. Adsorption of Cu phthalocyanine on Pt modified Ge(001): A scanning tunneling microscopy study

    NARCIS (Netherlands)

    Saedi, A.; Berkelaar, Robin P.; Kumar, Avijit; Poelsema, Bene; Zandvliet, Henricus J.W.

    2010-01-01

    The adsorption configurations of copper phthalocyanine (CuPc) molecules on platinum-modified Ge(001) have been studied using scanning tunneling microscopy. After deposition at room temperature and cooling down to 77 K the CuPc molecules are still dynamic. However, after annealing at 550±50 K, the

  20. Adsorption of Cu phthalocyanine on Pt modified Ge(001): A scanning tunneling microscopy study

    NARCIS (Netherlands)

    Saedi, A.; Berkelaar, Robin P.; Kumar, Avijit; Poelsema, Bene; Zandvliet, Henricus J.W.

    2010-01-01

    The adsorption configurations of copper phthalocyanine (CuPc) molecules on platinum-modified Ge(001) have been studied using scanning tunneling microscopy. After deposition at room temperature and cooling down to 77 K the CuPc molecules are still dynamic. However, after annealing at 550±50 K, the ad

  1. Study of Zn-Cu ferrite nanoparticles for LPG sensing.

    Science.gov (United States)

    Jain, Anuj; Baranwal, Ravi Kant; Bharti, Ajaya; Vakil, Z; Prajapati, C S

    2013-01-01

    Nanostructured zinc-copper mixed ferrite was synthesized using sol-gel method. XRD patterns of different compositions of zinc-copper ferrite, Zn(1-x)Cu(x)Fe2O4 (x = 0.0, 0.25, 0.50, 0.75), revealed single phase inverse spinel ferrite in all the samples synthesized. With increasing copper concentration, the crystallite size was found to be increased from 28 nm to 47 nm. The surface morphology of all the samples studied by the Scanning Electron Microscopy there exhibits porous structure of particles throughout the samples. The pellets of the samples are prepared for LPG sensing characteristics. The sensing is carried out at different operating temperatures (200, 225, and 250°C) with the variation of LPG concentrations (0.2, 0.4, and 0.6 vol%). The maximum sensitivity of 55.33% is observed at 250°C operating for the 0.6 vol% LPG.

  2. Structural and optical studies on antimony and zinc doped CuInS2 thin films

    Science.gov (United States)

    Ben Rabeh, M.; Chaglabou, N.; Kanzari, M.; Rezig, B.

    2009-11-01

    The influence of Zn and Sb impurities on the structural, optical and electrical properties of CuInS2 thin films on corning 7059 glass substrates was studied. Undoped and Zn or Sb doped CuInS2 thin films were deposited by thermal evaporation method and annealed in vacuum at temperature of 450 ∘C Undoped thin films were grown from CuInS2 powder using resistively heated tungsten boats. Zn species was evaporated from a thermal evaporator all together to the CuInS2 powder and Sb species was mixed in the starting powders. The amount of the Zn or Sb source was determined to be in the range 0-4 wt% molecular weight compared with the CuInS2 alloy source. The films were studied by means of X-ray diffraction (XRD), Optical reflection and transmission and resistance measurements. The films thicknesses were in the range 450-750 nm. All the Zn: CuInS2 and Sb: CuInS2 thin films have relatively high absorption coefficient between 104 cm-1 and 105 cm-1 in the visible and the near-IR spectral range. The bandgap energies are in the range of 1.472-1.589 eV for Zn: CuInS2 samples and 1.396-1.510 eV for the Sb: CuInS2 ones. The type of conductivity of these films was determined by the hot probe method. Furthermore, we found that Zn and Sb-doped CuInS2 thin films exhibit P type conductivity and we predict these species can be considered as suitable candidates for use as acceptor dopants to fabricate CuInS2-based solar cells.

  3. Thermodynamic Properties of Compressed CuX (X = Cl, Br) Compounds: Ab Initio Study

    Science.gov (United States)

    Bioud, Nadhira; Kassali, Kamel; Bouarissa, Nadir

    2017-04-01

    A pseudopotential plane wave method based on the density functional theory has been employed to study some thermodynamic properties of copper chloride (CuCl) and copper bromide (CuBr) compounds under the effect of temperature and pressure. The phase transition pressure, the unit cell volume, the isothermal bulk modulus, the constant volume heat capacity, the entropy, the Debye temperature, the Grüneisen parameter and the volumetric thermal expansion coefficient are studied in the pressure range 0-10 GPa, and for temperatures ranging from 0 K up to 650 K and 750 K for CuCl and CuBr, respectively. The phase transition pressure is found to be around 7.8 and 6.95 GPa for CuCI and CuBr, respectively. These values are respectively in reasonably good agreement with the experimental ones of 8.2 GPa and 6.8 GPa reported in the literature. Moreover, at room temperature and zero pressure, the heat capacity at constant volume and the Grüneisen parameter of both compounds of interest are found to be in good agreement with the available experimental and theoretical data. The information gathered from the present investigation may be useful for the study of the behavior of the fundamental properties of CuCI and CuBr under the influence of high temperature and pressure.

  4. Climatological features of electron density in the polar ionosphere from long-term observations of EISCAT/ESR radar

    Energy Technology Data Exchange (ETDEWEB)

    Cai, H.T.; Ma, S.Y.; Fan, Y. [Wuhan Univ. (China). School of Electronics Information; CNEM (France). Key Lab of Geospace Environmental and Geodesy; Liu, Y.C. [Wuhan Univ. (China). School of Electronics Information; Schlegel, K. [Max Planck Institute for Solar System Research (MPS), Katlenburg-Lindau (Germany)

    2007-07-01

    In this paper, climatological features of the polar F2-region electron density (N{sub e}) are investigated by means of statistical analysis using long-term observations from the European Incoherent Scatter UHF radar (called EISCAT in the following) and the EISCAT Svalbard radar (ESR) during periods of quiet to moderate geomagnetic activity. Field-aligned measurements by the EISCAT and ESR radars operating in CP-1 and CP-2 modes are used in this study, covering the years 1988-1999 for EISCAT and 1999-2003 for ESR. The data are sorted by season (equinox, summer and winter) and solar cycle phase (maximum, minimum, rising and falling). Some novel and interesting results are presented as follows: (1) The well-known winter anomaly is evident during the solar maximum at EISCAT, but it dies out at the latitude of the ESR; (2) The daytime peaks of N{sub e} at EISCAT for all seasons during solar maximum lag about 1-2 h behind those at ESR, with altitudes about 10-30 km lower. (3) In addition to the daytime peak, it is revealed that there is another peak just before magnetic midnight at ESR around solar maximum, especially in winter and at equinox. The day-time ionization peak around magnetic noon observed by ESR can be attributed to soft particle precipitation in the cusp region, whereas the pre-midnight N{sub e} maximum seems likely to be closely related to substorm events which frequently break out during that time sector, in particular for the winter case. (4) Semiannual variations are found at EISCAT during solar minimum and the falling phase of the solar cycle; at the rising phase, however, the EISCAT observations show no obvious seasonal variations. (orig.)

  5. Thermal Decomposition Studies of Layered Metal Hydroxynitrates (Metal: Cu, Zn, Cu/Co, and Zn/Co

    Directory of Open Access Journals (Sweden)

    Thimmasandra Narayan Ramesh

    2015-01-01

    Full Text Available Layered metal hydroxynitrates and mixed metal hydroxynitrates (copper/cobalt hydroxynitrates and zinc/cobalt hydroxynitrates at different mole ratios were synthesized by hydrolysis of urea and metal nitrates at 140°C. Layered metal hydroxyl nitrates derive their structure from brucite mineral and generally crystallize in hexagonal and monoclinic phases. Isothermal decomposition studies of Cu2(OH3(NO3, Co2(OH3(NO3, Cu1.5Co0.5(OH3(NO3, Cu1.34Co0.66(OH3(NO3, Zn5(OH8(NO32(H2O2, Zn3.75Co1.25(OH8(NO32(H2O2, and Zn3.35Co1.65(OH8(NO32(H2O2 samples were carried out at different intervals of temperature and the structural transformations during the process were monitored using powder X-ray diffractograms. Biphasic mixture of metal hydroxynitrate/metal oxide is observed in case of cobalt/zinc based layered hydroxynitrates, while copper hydroxynitrate or copper/cobalt metal hydroxynitrate decomposes in a single step. The decomposition temperatures of layered metal hydroxynitrates and mixed layered metal hydroxides depend on the method of preparation, their composition and the nature of metal ion, and their coordination.

  6. Determination of isodose curves in Radiotherapy using an Alanine/ESR dosemeter; Determinacion de curvas de isodosis en Radioterapia usando un dosimetro de Alanina/ESR

    Energy Technology Data Exchange (ETDEWEB)

    Chen, F.; Baffa, O.; Graeff, C.F.O. [Departamento de Fisica e Matematica. Universidade de Sao Paulo FFCLRP. 14040-901 Ribeirao Preto-SP (Brazil)

    1998-12-31

    It was studied the possible use of an Alanine/ESR dosemeter in the isodose curves mapping in normal treatments of Radiotherapy. It was manufactured a lot of 150 dosemeters with base in a mixture of D-L Alanine dust (80 %) and paraffin (20 %). Each dosemeter has 4.7 mm diameter and 12 mm length. A group of 100 dosemeters of the lot were arranged inside 50 holes of the slice 25 of the phantom Rando Man. The phantom irradiation was realized in two opposed projections (AP and PA) in Co-60 equipment. A group of 15 dosemeters was take of the same lot for obtaining the calibration curve in a 1-20 Gy range. After irradiation the signal of each dosemeter was measured in an ESR spectrometer operating in the X-band ({approx} 9.5 GHz) and the wideness of Alanine ESR spectra central line was correlated with the radiation dose. The wideness dose calibration curve resulted linear with a correlation coefficient 0.9996. The isodose curves obtained show a profile enough similar at comparing with the theoretical curves. (Author)

  7. Na(I)/Cu(I-II) heterometallic cages interconnected by unusual linear 2-coordinate OCN-Cu(I)-NCO links: synthesis, structural, magnetostructural correlation and computational studies.

    Science.gov (United States)

    Ray, Aurkie; Rosair, Georgina M; Rajeev, Ramanan; Sunoj, Raghavan B; Rentschler, Eva; Mitra, Samiran

    2009-11-21

    A new Na(I)/Cu(I-II) heterometallic coordination complex [Cu(2)L(2)Na(NCO)(2)Cu](n) (1) with an unusual architecture has been synthesised. In 1 cyclic Na-O-Cu-O-Cu cages constructed by the tetradentate N(2)O(2) donor Schiff base ligand (H(2)L = N,N'-bis(2-hydroxyacetophenone)propylenediimine) are interconnected to each other by a rare singly end-to-end bridged OCN-Cu(I)-NCO link generating 1D chain. The complex has been characterised by elemental, spectral and structural analysis. The cyclic voltammogram of 1 has been compared with the analogous complexes. Cryomagnetic susceptibility studies indicate the copper(II) centers in the cyclic Na-O-Cu-O-Cu cages are antiferromagnetically coupled with J = -13.8 cm(-1). Complex 1 is a new addition to a class of rare singly end-to-end cyanato bridged copper(I) species and interestingly the copper ions involved in OCN-Cu(I)-NCO links possess a linear 2-coordinate geometry. Density functional theory calculations have been carried out to gain additional insights into the metal and ligand orbitals participating in this unusual structure.

  8. Structural and antimicrobial studies of coordination compounds of VO(II, Co(II, Ni(II and Cu(II with some Schiff bases involving 2-amino-4-chlorophenol

    Directory of Open Access Journals (Sweden)

    A. P. MISHRA

    2009-05-01

    Full Text Available Complexes of tailor-made ligands with life essential metal ions may be an emerging area to answer the problem of multi-drug resistance (MDR. The coordination complexes of VO(II, Co(II, Ni(II and Cu(II with the Schiff bases derived from 2-hydroxyacetophenone/2-chlorobenzaldehyde with 2-ami¬no-4-chlorophenol were synthesized and characterized by elemental analysis, molar conductance, electronic spectra, FT-IR, ESR, FAB mass, thermal and magnetic susceptibility measurements. The FAB mass and thermal data show degradation of the complexes. The ligand A (2-hydroxyacetophenone-2amino-4-chlorophenol behaved as tridentate and ligand B (2-chlorobenzylidene-2-amino-4-chlorophenol as bidentate, coordinating through O and N donors. The complexes [VO(A(H2O]×xH2O, [M(A(H2On]×xH2O for Co and Ni, [Cu(A(H2O] and [VO(B2]×xH2O, [M(B2(H2On] for Co and Cu and [Ni(B2] exhibited coordination numbers 4, 5 or 6. X-ray powder diffraction data (a = 11.00417 Å, b = 11.706081 Å and c = 54.46780 Å showed that [Cu(CACP2(H2O2], complex 8, crystallized in the orthorhombic system. The in vitro biological screening effects of the investigated compounds were tested against the bacteria Escherichia coli, Staphylococcus aureus and Streptococcus fecalis and the fungi Aspergillus niger, Trichoderma polysporum and Candida albicans by the serial dilution method. A comparative study of the MIC values of the Schiff base and their [M(B2(H2O2] complexes (Co(II, complex 6 and Cu(II, complex 8, indicated that the metal complexes exhibited a higher or lower antimicrobial activity than 2-chlorobenzylidene-2-amino-4-chlorophenol as the free ligand (B.

  9. Study of synthesis and optical properties of Cu nanoparticles

    Science.gov (United States)

    Singh, Jaiveer; Devi Lodhi, Pavitra; Choudhary, K. K.; Kaurav, Netram

    2017-05-01

    Nanoparticles of Copper (Cu) have attracted great interest in recent years because of their unique physical and optical properties that are of industrial importance. To understand their basic properties, Cu nanoparticles were synthesized by Polyol method. The synthesized powder was characterized by X-ray diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FTIR). The average particle size and lattice parameter estimated by XRD were found to be ~42.5 nm and 3.617 Å respectively. The results suggest suitability of these nanoparticles as dopants in other materials such as polymer materials and oxides.

  10. Thermal decomposition studies of CuInS2

    Institute of Scientific and Technical Information of China (English)

    Sunil H. CHAKI

    2008-01-01

    Single crystals of copper indium disulphide (CuInS2) have been successfully grown by the chemical vapour transport (CVT) technique using iodine as the transporting agent. Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) were carried out for the CVT grown CuInS2 single crystals. It was revealed that the crystals are thermally stable between the ambient temperature (300 K) and 845 K and that the decomposi-tion occurs sequentially in three steps. The kinetic para-meters, e.g., activation energy, order of reaction, and frequency factor were evaluated using non-mechanistic equations for thermal decomposition.

  11. Magnetic structure of the low-dimensional magnet NaCu{sub 2}O{sub 2}: {sup 63,65}Cu and {sup 23}Na NMR studies

    Energy Technology Data Exchange (ETDEWEB)

    Sadykov, A. F., E-mail: sadykov@imp.uran.ru; Gerashchenko, A. P.; Piskunov, Yu. V.; Ogloblichev, V. V.; Smol’nikov, A. G.; Verkhovskii, S. V.; Buzlukov, A. L.; Arapova, I. Yu. [Russian Academy of Sciences, Institute of Metal Physics, Ural Branch (Russian Federation); Furukawa, Y. [Iowa State University, Ames Laboratory (United States); Yakubovskii, A. Yu. [National Research Centre Kurchatov Institute (Russian Federation); Bush, A. A. [Moscow State Technical University of Radio Engineering, Electronics, and Automation (Russian Federation)

    2014-11-15

    The magnetic structure of a quasi-one-dimensional frustrated NaCu{sub 2}O{sub 2} magnet single crystal is studied by NMR. The spatial orientation of the planar spin spirals in the copper-oxygen Cu{sup 2+}-O chains is determined, and its evolution as a function of the applied magnetic field direction is analyzed.

  12. Atom probe study of Cu-poor to Cu-rich transition during Cu(In,Ga)Se{sub 2} growth

    Energy Technology Data Exchange (ETDEWEB)

    Couzinie-Devy, F.; Cadel, E.; Pareige, P. [Groupe de Physique des Materiaux (GPM), UMR 6634 CNRS, Universite et INSA de Rouen, Avenue de l' Universite BP 12, 76801 Saint Etienne du Rouvray (France); Barreau, N.; Arzel, L. [Institut des Materiaux Jean Rouxel (IMN), UMR 6502 CNRS, 2 rue de la Houssiniere BP 32229, 44322 Nantes cedex 3 (France)

    2011-12-05

    Atomic scale chemistry of polycrystalline Cu(In,Ga)Se{sub 2} (CIGSe) thin film has been characterized at key points of the 3-stage process using atom probe tomography. 3D atom distributions have been reconstructed when the layer is Cu-poor ([Cu]/([Ga] + [In]) < 1), Cu-rich ([Cu]/([Ga] + [In]) > 1), and at the end of the process. Particular attention has been devoted to grain boundary composition and Na atomic distribution within the CIGSe layer. Significant variation of composition is highlighted during the growing process, providing fundamental information helping the understanding of high efficiency CIGSe formation.

  13. Microwave Synthesis, Spectral, Thermal and Antimicrobial Studies of Some Co(II, Ni(II and Cu(II Complexes Containing 2-Aminothiazole Moiety

    Directory of Open Access Journals (Sweden)

    A. P. Mishra

    2012-01-01

    Full Text Available Some new Schiff base metal complexes of Co(II, Ni(II and Cu(II derived from 4-chlorobenzylidene-2-aminothiazole (CAT and 2-nitrobenzylidene-2-aminothiazole (NAT have been synthesized by conventional as well as microwave methods. These compounds have been characterized by elemental analysis, FT-IR, FAB-mass, molar conductance, electronic spectra, ESR, magnetic susceptibility, thermal, electrical conductivity and XRD analysis. The complexes are coloured and stable in air. Analytical data revealed that all the complexes exhibited 1:2 (metal:ligand ratio with coordination number 4 or 6. FAB-mass and thermal data show degradation pattern of the complexes. The thermal behavior of metal complexes shows that the hydrated complexes loses water molecules of hydration in the first step; followed by decomposition of ligand molecules in the subsequent steps. The crystal system, lattice parameter, unit cell volume and number of molecules in unit cell in the lattice of complexes have been determined by XRD analysis. XRD patterns indicate crystalline nature for the complexes. The solid state electrical conductivity of the metal complexes has also been measured. Solid state electrical conductivity studies reflect semiconducting nature of the complexes. The Schiff base and metal complexes show a good activity against the Gram-positive bacteria; Staphylococcus aureus and Gram-negative bacteria; Escherichia coli and fungi Aspergillus niger and Candida albicans.

  14. Cu-Ni core-shell nanoparticles: structure, stability, electronic, and magnetic properties: a spin-polarized density functional study

    Science.gov (United States)

    Wang, Qiang; Wang, Xinyan; Liu, Jianlan; Yang, Yanhui

    2017-02-01

    Bimetallic core-shell nanoparticles (CSNPs) have attracted great interest not only because of their superior stability, selectivity, and catalytic activity but also due to their tunable properties achieved by changing the morphology, sequence, and sizes of both core and shell. In this study, the structure, stability, charge transfer, electronic, and magnetic properties of 13-atom and 55-atom Cu and Cu-Ni CSNPs were investigated using the density functional theory (DFT) calculations. The results show that Ni@Cu CSNPs with a Cu surface shell are more energetically favorable than Cu@Ni CSNPs with a Ni surface shell. Interestingly, three-shell Ni@Cu12@Ni42 is more stable than two-shell Cu13@Ni42, while two-shell Ni13@Cu42 is more stable than three-shell Cu@Ni12@Cu42. Analysis of Bader charge illustrates that the charge transfer increases from Cu core to Ni shell in Cu@Ni NPs, while it decreases from Ni core to Cu shell in Ni@Cu NPs. Furthermore, the charge transfer results that d-band states have larger shift toward the Fermi level for the Ni@Cu CSNPs with Cu surface shell, while the Cu@Ni CSNPs with Ni surface shell have similar d-band state curves and d-band centers with the monometallic Ni NPs. In addition, the Cu-Ni CSNPs possess higher magnetic moment when the Ni atoms aggregated at core region of CSNPs, while having lower magnetic moment when the Ni atoms segregate on surface region. The change of the Cu atom location in CSNPs has a weak effect on the total magnetic moment. Our findings provide useful insights for the design of bimetallic core-shell catalysts.

  15. First-Principles Study of Defects in CuGaO2

    Institute of Scientific and Technical Information of China (English)

    FANG Zhi-Jie; FANG Cheng; SHI Li-Jie; LIU Yong-Hui; HE Man-Chao

    2008-01-01

    @@ Using the first-principles methods, we study the electronic structure, intrinsic and extrinsic defects doping in transparent conducting oxides CuGaO2. Intrinsic defects, acceptor-type and donor-type extrinsic defects in their relevant charge state are considered. The calculation result show that copper vacancy and oxygen interstitial are the relevant defects in CuGaO2. In addition, copper vacancy is the most efficient acceptor. Substituting Be for Ga is the prominent acceptor, and substituting Ca for Cu is the prominent donors in CuGaO2. Our calculation results are expected to be a guide for preparing n-type and p-type materials in CuGaO2.

  16. The use of ESR spectroscopy for the identification and dose assessment of irradiated pink shrimp (Parapenaeus longirostris) from Turkey

    Science.gov (United States)

    Aydaş, Canan; Tepe Çam, Semra; Engin, Birol; Aydın, Talat; Polat, Mustafa

    2013-03-01

    Turkish pink shrimp (Parapenaeus longirostris) samples were studied by electron spin resonance (ESR) spectroscopy for identification and dose assessment purposes. In this work, the calcified shells of shrimps were used as a sample material. Before irradiation, all shrimp shell samples exhibit one weak ESR singlet with a g-factor of 2.0047. After irradiation, all samples exhibit two asymmetric ESR signal components centered at g-values of 2.0013 and 1.9959. The dose-response curves of the samples exposed to gamma radiations were found to be described well by a single saturation exponential function. Variation of ESR signal intensity of irradiated samples at room and-20 °C temperatures with time in a long-term showed that free radicals responsible from the ESR spectrum of shrimp shells were not stable but still detectable after 87 days. Also, the kinetic behavior of signal at g=2.0013 was studied and the additive dose method was used to evaluate the dose in the product.

  17. First-principles study of electronic structure of CuSbS{sub 2} and CuSbSe{sub 2} photovoltaic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Maeda, T., E-mail: tmaeda@ad.ryukoku.ac.jp; Wada, T.

    2015-05-01

    We studied the features of CuSbS{sub 2} (CAS) and CuSbSe{sub 2} (CASe), two proposed photovoltaic compounds, and clarified their electronic structures by first-principles calculations and compared them to the chalcopyrite-type CuInSe{sub 2} results. For both CAS and CASe, the calculated enthalpies of formation of the chalcostibite phases were considerably lower than those of the chalcopyrite phases. Therefore, we considered that the chalcostibite phase is more stable for CAS and CASe. In their band structure calculated with the HSE06 hybrid functional, the valence band maxima of CAS and CASe were located at the Γ-point, and the conduction band minima were located at the R-point. Their second lowest conduction band was located at the Γ-point, whose energy level nearly equaled the R-point. For CAS (CASe), the partial density of the states shows the character of the Cu 3d and S 3p (Se 4p) orbitals at the top of the valence bands and the Sb 5p and S 3p (Se 4p) orbitals at the bottom of the conduction bands. The conduction bands of CAS and CASe have a p-orbital character (Sb 5p) that differs from the s-orbital character (In 5s) of CuInSe{sub 2}. It is for the reason that CAS and CASe do not have a chalcopyrite structure but a chalcostibite-type structure. The calculated absorption coefficient of CuSbS{sub 2} (10{sup 4}-10{sup 5} cm{sup −1}) is comparable to that of CuInSe{sub 2}. - Highlights: • We studied the features of CuSbS{sub 2} and CuSbSe{sub 2}, newly proposed photovoltaic compounds. • Chalcostibite phase is more stable in CuSbS{sub 2} and CuSbSe{sub 2}. • Band structures of CuSbS{sub 2} and CuSbS{sub 2} were calculated with HSE06 hybrid functional. • Absorption coefficient of chalcostibite-type CuSbS{sub 2} is comparable to that of CuInSe{sub 2}.

  18.  Pressure-induced Fe↔Cu cationic valence exchange and its structural consequences: High-pressure studies of delafossite CuFeO2

    Science.gov (United States)

    Xu, W. M.; Rozenberg, G. Kh.; Pasternak, M. P.; Kertzer, M.; Kurnosov, A.; Dubrovinsky, L. S.; Pascarelli, S.; Munoz, M.; Vaccari, M.; Hanfland, M.; Jeanloz, R.

    2010-03-01

    The present high-pressure studies of CuFeO2 to 30 GPa using x-ray diffraction, along with F57e Mössbauer and Fe and CuK -edge x-ray absorption spectroscopy methods, reveal a sequence of intricate structural/electronic-magnetic pressure-induced transitions. The low-pressure R3¯m structure (0-18 GPa) is composed of sheets of FeS=5/23+ ions alternating with layers of O-CuS=01+-O dumbbells, the latter oriented along the c axis. This structure is characterized by an unusual positive d(c/a)/dP . At 18 GPa a structural transition takes place to a more isotropic C2/c structure with the O-CuS=01+-O axis tilted 28° from the c axis and with negative d(c/a)/dP . This transition corroborates with the onset of long-range antiferromagnetic order. Starting at ˜23GPa , with an initial volume reduction in ˜|ΔV/V0|=0.16 , the Cu-Fe bands overlap and this leads to a (CuS=01+FeS=5/23+)→(CuS=1/22+FeS=22+) interionic valence exchange in about 1/3 of the C2/c-CuFeO2 at 27 GPa. As a result: (i) the Cu2+-O becomes fourfold coordinated and is in a new crystallographic structure with space group P3¯m , and (ii) the Néel temperature increases above twofold [TN(CuS=1/22+FeS=22+)≈2.2TN(CuS=01+FeS=5/23+)] . This sequence of transitions is reversible with minimal hysteresis.

  19. Junction studies on electrochemically fabricated p-n Cu(2)O homojunction solar cells for efficiency enhancement.

    Science.gov (United States)

    McShane, Colleen M; Choi, Kyoung-Shin

    2012-05-01

    p-n Cu(2)O homojunction solar cells were electrochemically fabricated by consecutively depositing an n-Cu(2)O layer on a p-Cu(2)O layer. In order to better understand the Fermi levels of the electrochemically grown polycrystalline p- and n-Cu(2)O layers and maximize the overall cell performance, the back and front contacts of the Cu(2)O homojunction cells were systematically changed and the I-V characteristics of the resulting cells were examined. The result shows that the intrinsic doping levels of the electrochemically prepared p-Cu(2)O and n-Cu(2)O layers are very low and they made almost Ohmic junctions with Cu metal with which previously studied p-Cu(2)O layers prepared by thermal oxidation of Cu foils are known to form Schottky junctions. The best cell performance (an η of 1.06%, a V(OC) of 0.621 V, an I(SC) of 4.07 mA cm(-2), and a fill factor (ff) of 42%) was obtained when the p-Cu(2)O layer was deposited on a commercially available ITO substrate as the back contact and a sputter deposited ITO layer was used as the front contact on the n-Cu(2)O layer. The unique features of the p-n Cu(2)O homojunction solar cell are discussed in comparison with other Cu(2)O-based heterojunction solar cells.

  20. ESR - a retinal protein with unusual properties from Exiguobacterium sibiricum.

    Science.gov (United States)

    Petrovskaya, L E; Balashov, S P; Lukashev, E P; Imasheva, E S; Gushchin, I Yu; Dioumaev, A K; Rubin, A B; Dolgikh, D A; Gordeliy, V I; Lanyi, J K; Kirpichnikov, M P

    2015-06-01

    This review covers the properties of a retinal protein (ESR) from the psychrotrophic bacterium Exiguobacterium sibiricum that functions as a light-driven proton pump. The presence of a lysine residue at the position corresponding to intramolecular proton donor for the Schiff base represents a unique structural feature of ESR. We have shown that Lys96 successfully facilitates delivery of protons from the cytoplasmic surface to the Schiff base, thus acting as a proton donor in ESR. Since proton uptake during the photocycle precedes Schiff base reprotonation, we conclude that this residue is initially in the uncharged state and acquires a proton for a short time after Schiff base deprotonation and M intermediate formation. Involvement of Lys as a proton donor distinguishes ESR from the related retinal proteins - bacteriorhodopsin (BR), proteorhodopsin (PR), and xanthorhodopsin (XR), in which the donor function is performed by residues with a carboxyl side chain. Like other eubacterial proton pumps (PR and XR), ESR contains a histidine residue interacting with the proton acceptor Asp85. In contrast to PR, this interaction leads to shift of the acceptor's pKa to more acidic pH, thus providing its ability to function over a wide pH range. The presence of a strong H-bond between Asp85 and His57, the structure of the proton-conducting pathways from cytoplasmic surface to the Schiff base and to extracellular surface, and other properties of ESR were demonstrated by solving its three-dimensional structure, which revealed several differences from known structures of BR and XR. The structure of ESR, its photocycle, and proton transfer reactions are discussed in comparison with homologous retinal proteins.

  1. Application of gadolinium ion-doped glaserite to ESR imaging

    Energy Technology Data Exchange (ETDEWEB)

    Ohta, Masatoshi [Niigata Univ. (Japan). Faculty of Engineering; Furukawa, Hiroaki

    1997-02-01

    The imperfections and defects are well known to form in the alkaline metal sulfates after X-ray irradiation. The Gd ion-doped K{sub 3}Na(SO{sub 4}){sub 2} had high susceptibility to X-ray irradiation. The ESR signal of SO{sub 3}{sup -} radical was isotropic and thermally stable in Gd ion-doped K{sub 3}Na(SO{sub 4}){sub 2} irradiated by X-ray. The result described is the application of the Gd ion-doped K{sub 3}Na(SO{sub 4}){sub 2} to the ESR imaging method which can monitor both absorbed dose and irradiation direction. Zupancic-typed coils were used to produce the magnetic field gradient with a direction for ESR imaging. The parallel wires of Zupancic-typed coils were connected to each other and to the current sources, forming four independent current loops to change the direction of magnetic field. The ESR spectra were measured using an X-band ESR spectrometer with a 100 kHz magnetic field modulator and a phase-sensitive detector. The current values of the four loops were controlled by using four regulated DC power supplies controlled by 12 bit D/A converters. A two-dimensional image was reconstructed using a filtered back projection method from the projection data of 180 directions (1-degree steps), which were obtained by using a field gradient of 1.05 mTmm{sup -1}. The obtained results suggest that the Gd-doped K{sub 3}Na(SO{sub 4}){sub 2} sample can be utilized as the ESR-CT image and the ESR dosimeter in the range from 20{mu}Gy to 100 Gy. (author)

  2. Mechanism in the reaction of cytochrome c oxidase with organic hydroperoxides: an ESR spin-trapping investigation.

    Science.gov (United States)

    Chen, Yeong-Renn; Mason, Ronald P

    2002-07-15

    Organic hydroperoxides are of great utility in probing the reaction mechanism and the toxicological consequences of lipid peroxidation. In the present study, ESR spin-trapping was employed to investigate the peroxidation of mitochondrial cytochrome c oxidase (CcO) with t-butyl hydroperoxide (t-BuOOH) and cumene hydroperoxide (CumOOH). The spin trap 5,5-dimethyl-1-pyrroline N-oxide (DMPO) was used to detect the radical species formed from the reaction of CcO with t-BuOOH. The presence of t-BuOOH-derived alkoxyl radical (t-BuO*) as the primary radical indicates reductive scission of the O-O bond by CcO. The ESR signal of DMPO/*Ot-Bu can be partially abolished by cyanide, implying that the reductive cleavage involved the haem a(3)Cu(B) binuclear site of CcO. A nitroso spin trap, 2-methyl-2-nitrosopropane (MNP), was used to detect and identify radical species from the reaction of CcO with CumOOH. In addition to the t-BuOOH-derived methyl, hydroxylmethyl and tertiary carbon-centred radicals, a protein-derived radical was detected. The intensity of the ESR signal from the protein radical increased with the CumOOH concentration at low CumOOH/CcO ratios, with maximal intensity at a ratio of 100 mol of CumOOH/mol of CcO. The immobilized protein radical adduct of MNP was stable and persistent after dialysis; it was also resistant to proteolytic digestion, suggesting that it was formed in the transmembrane region, a region that is not accessible to proteases. Its signal was greatly enhanced when CcO cysteine residues were chemically modified by N-ethylmaleimide, when the tryptophan residues in CcO were oxidized by N-bromosuccimide, and when tyrosine residues on the surface of CcO were iodinated, showing that a radical equilibrium was established among the cysteine, tryptophan and tyrosine residues of the protein-centred radical. Pre-treatment of CcO with cyanide prevented detectable MNP adduct formation, confirming that the haem a(3)-Cu(B) binuclear centre was the initial

  3. Association of polymorphisms in genes encoding hormone receptors ESR1, ESR2 and LHCGR with the risk and clinical features of testicular germ cell cancer

    DEFF Research Database (Denmark)

    Brokken, Leon J S; Lundberg-Giwercman, Yvonne; Rajpert-De Meyts, Ewa

    2012-01-01

    (rs7371084; OR=2.37, 95% CI: 1.26-4.49) associated with risk of seminoma and metastasis, respectively. SNPs in ESR1 (rs9397080) and LHCGR (rs7371084) were predictors of higher LH levels and higher androgen sensitivity index in healthy subjects. The results suggest that polymorphisms in ESR1, ESR2...

  4. An investigation of the dosimetric and kinetic properties of sand using ESR and TL techniques.

    Science.gov (United States)

    Aydaş, Canan; Aydın, Talat

    2015-07-01

    In this research, the general dosimetric and kinetic properties of sand from a beach in southern Turkey were investigated using electron spin resonance (ESR) and thermoluminescence (TL) techniques. The ESR dose response curve presents linear behaviour in the dose range of 250-1000 Gy followed by sublinear behaviour in the dose range of 2-8 kGy. Kinetic behaviors and activation energy of the free radical were also calculated using the data obtained from annealing studies performed at four different temperatures (220, 240, 260 and 280°C). The activation energy value was calculated as 1.47 eV. The long-term fading of the ESR signal at room temperature turned out to be best described by a second-order kinetic decay function. The presence of measurable ESR signal intensity even after a storage period of 90 days was considered as providing an opportunity in the dose estimation of irradiated sand sample. Although the TL glow curve of the natural (unirradiated) sand sample only has a single broad peak at 317°C, the glow curve of the irradiated sample has four glow peaks located at ~115°C, ~156°C, ~231°C and ~308°C and their intensity tends to be increased with absorbed dose.Tmax-Tstop and glow curve fitting results showed that presence of at least five peaks located at ∼116°C, 149°C, 228°C, 306°C and 360°C. This result suggests that the apparently single glow peak D may consist of two or more overlapping glow peaks. According to the thermal fading of the sand sample at room temperature, the TL signal intensities (23°C and 308°C) were found to be quite large after 30 days of storage this allows a more accurate measurement of the glow peak intensity. The additive dose method, variable heating rate method (VHRM), Tmax-Tstop and glow curve fitting method were used to number of peaks, dosimetric properties and kinetic parameters. This study shows that ESR and TL techniques could be successfully used to investigate the kinetics and dosimetric properties of sand

  5. STUDY ON MORPHOLOGY OF CHROMIUM IN CHILLED Cu-0.14%-2.0%Cr ALLOYS

    Institute of Scientific and Technical Information of China (English)

    H.W.Yang; Z.K.Fan

    2004-01-01

    The morphology of chromium in chilled Cu-Cr alloys with 0.14%-2.0% Cr has been studied. The results showed that eutectic Cr phase takes a fibrous shape, and pre-eutectic Cr is dendritic in the studied chilled Cu-Cr alloy. During solute treatment of the eutectic and super-eutectic Cu-Cr alloys, only part of chromium particles dissolved in copper phase,some fiber and dendritic chromium still remained. Forging before solute treatment can reduce the size of primary Cr particles, which benefits the aging structure.

  6. First principles study of CuAlO2 doping with S

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    We study the electronic properties of CuAlO2 doped with S by the first principles calculations and find that the band gap of CuAlO2 is reduced after the doping.At the same time,the effective masses are also reduced and the density of states could cross the Fermi level.These results show that the conductivity of CuAlO2 could be enhanced by doping the impurities of S,which needs to be further studied.

  7. Systematic Study of Azimuthal Anisotropy in Cu$+$Cu and Au$+$Au Collisions at $\\sqrt{s_{_{NN}}} = 62.4$ and 200~GeV

    CERN Document Server

    Adare, A; Aidala, C; Ajitanand, N N; Akiba, Y; Al-Bataineh, H; Al-Jamel, A; Alexander, J; Aoki, K; Aphecetche, L; Armendariz, R; Aronson, S H; Asai, J; Atomssa, E T; Averbeck, R; Awes, T C; Azmoun, B; Babintsev, V; Baksay, G; Baksay, L; Baldisseri, A; Barish, K N; Barnes, P D; Bassalleck, B; Bathe, S; Batsouli, S; Baublis, V; Bauer, F; Bazilevsky, A; Belikov, S; Bennett, R; Berdnikov, Y; Bickley, A A; Bjorndal, M T; Boissevain, J G; Borel, H; Boyle, K; Brooks, M L; Brown, D S; Bucher, D; Buesching, H; Bumazhnov, V; Bunce, G; Burward-Hoy, J M; Butsyk, S; Campbell, S; Chai, J -S; Chang, B S; Charvet, J -L; Chernichenko, S; Chi, C Y; Chiba, J; Chiu, M; Choi, I J; Chujo, T; Chung, P; Churyn, A; Cianciolo, V; Cleven, C R; Cobigo, Y; Cole, B A; Comets, M P; Constantin, P; Csanád, M; Csörgő, T; Dahms, T; Das, K; David, G; Deaton, M B; Dehmelt, K; Delagrange, H; Denisov, A; d'Enterria, D; Deshpande, A; Desmond, E J; Dietzsch, O; Dion, A; Donadelli, M; Drachenberg, J L; Drapier, O; Drees, A; Dubey, A K; Durum, A; Dzhordzhadze, V; Efremenko, Y V; Egdemir, J; Ellinghaus, F; Emam, W S; Enokizono, A; En'yo, H; Espagnon, B; Esumi, S; Eyser, K O; Fields, D E; Finger, M; Jr., \\,; Fleuret, F; Fokin, S L; Forestier, B; Fraenkel, Z; Frantz, J E; Franz, A; Frawley, A D; Fujiwara, K; Fukao, Y; Fung, S -Y; Fusayasu, T; Gadrat, S; Garishvili, I; Gastineau, F; Germain, M; Glenn, A; Gong, H; Gonin, M; Gosset, J; Goto, Y; de Cassagnac, R Granier; Grau, N; Greene, S V; Perdekamp, M Grosse; Gunji, T; Gustafsson, H -Å; Hachiya, T; Henni, A Hadj; Haegemann, C; Haggerty, J S; Hagiwara, M N; Hamagaki, H; Han, R; Harada, H; Hartouni, E P; Haruna, K; Harvey, M; Haslum, E; Hasuko, K; Hayano, R; He, X; Heffner, M; Hemmick, T K; Hester, T; Heuser, J M; Hiejima, H; Hill, J C; Hobbs, R; Hohlmann, M; Holmes, M; Holzmann, W; Homma, K; Hong, B; Horaguchi, T; Hornback, D; Huang, S; Hur, M G; Ichihara, T; Iinuma, H; Imai, K; Inaba, M; Inoue, Y; Isenhower, D; Isenhower, L; Ishihara, M; Isobe, T; Issah, M; Isupov, A; Jacak, B V; Jia, J; Jin, J; Jinnouchi, O; Johnson, B M; Joo, K S; Jouan, D; Kajihara, F; Kametani, S; Kamihara, N; Kamin, J; Kaneta, M; Kang, J H; Kanou, H; Kawagishi, T; Kawall, D; Kazantsev, A V; Kelly, S; Khanzadeev, A; Kikuchi, J; Kim, D H; Kim, D J; Kim, E; Kim, Y -S; Kinney, E; Kiss, Á; Kistenev, E; Kiyomichi, A; Klay, J; Klein-Boesing, C; Kochenda, L; Kochetkov, V; Komkov, B; Konno, M; Kotchetkov, D; Kozlov, A; Král, A; Kravitz, A; Kroon, P J; Kubart, J; Kunde, G J; Kurihara, N; Kurita, K; Kweon, M J; Kwon, Y; Kyle, G S; Lacey, R; Lai, Y S; Lajoie, J G; Lebedev, A; Bornec, Y Le; Leckey, S; Lee, D M; Lee, M K; Lee, T; Leitch, M J; Leite, M A L; Lenzi, B; Li, X; Li, X H; Lim, H; Liška, T; Litvinenko, A; Liu, M X; Love, B; Lynch, D; Maguire, C F; Makdisi, Y I; Malakhov, A; Malik, M D; Manko, V I; Mao, Y; Mašek, L; Masui, H; Matathias, F; McCain, M C; McCumber, M; McGaughey, P L; Miake, Y; Mikeš, P; Miki, K; Miller, T E; Milov, A; Mioduszewski, S; Mishra, G C; Mishra, M; Mitchell, J T; Mitrovski, M; Morreale, A; Morrison, D P; Moss, J M; Moukhanova, T V; Mukhopadhyay, D; Murata, J; Nagamiya, S; Nagata, Y; Nagle, J L; Naglis, M; Nakagawa, I; Nakamiya, Y; Nakamura, T; Nakano, K; Newby, J; Nguyen, M; Norman, B E; Nouicer, R; Nyanin, A S; Nystrand, J; O'Brien, E; Oda, S X; Ogilvie, C A; Ohnishi, H; Ojha, I D; Oka, M; Okada, K; Omiwade, O O; Oskarsson, A; Otterlund, I; Ouchida, M; Ozawa, K; Pak, R; Pal, D; Palounek, A P T; Pantuev, V; Papavassiliou, V; Park, J; Park, W J; Pate, S F; Pei, H; Peng, J -C; Pereira, H; Peresedov, V; Peressounko, D Yu; Pinkenburg, C; Pisani, R P; Purschke, M L; Purwar, A K; Qu, H; Rak, J; Rakotozafindrabe, A; Ravinovich, I; Read, K F; Rembeczki, S; Reuter, M; Reygers, K; Riabov, V; Riabov, Y; Roche, G; Romana, A; Rosati, M; Rosendahl, S S E; Rosnet, P; Rukoyatkin, P; Rykov, V L; Ryu, S S; Sahlmueller, B; Saito, N; Sakaguchi, T; Sakai, S; Sakata, H; Samsonov, V; Sato, H D; Sato, S; Sawada, S; Seele, J; Seidl, R; Semenov, V; Seto, R; Sharma, D; Shea, T K; Shein, I; Shevel, A; Shibata, T -A; Shigaki, K; Shimomura, M; Shohjoh, T; Shoji, K; Sickles, A; Silva, C L; Silvermyr, D; Silvestre, C; Sim, K S; Singh, C P; Singh, V; Skutnik, S; Slunečka, M; Smith, W C; Soldatov, A; Soltz, R A; Sondheim, W E; Sorensen, S P; Sourikova, I V; Staley, F; Stankus, P W; Stenlund, E; Stepanov, M; Ster, A; Stoll, S P; Sugitate, T; Suire, C; Sullivan, J P; Sziklai, J; Tabaru, T; Takagi, S; Takagui, E M; Taketani, A; Tanaka, K H; Tanaka, Y; Tanida, K; Tannenbaum, M J; Taranenko, A; Tarján, P; Thomas, T L; Todoroki, T; Togawa, M; Toia, A; Tojo, J; Tomášek, L; Torii, H; Towell, R S; Tram, V-N; Tserruya, I; Tsuchimoto, Y; Tuli, S K; Tydesjö, H; Tyurin, N; Vale, C; Valle, H; van Hecke, H W; Velkovska, J; Vértesi, R; Vinogradov, A A; Virius, M; Vrba, V; Vznuzdaev, E; Wagner, M; Walker, D; Wang, X R; Watanabe, Y; Wessels, J; White, S N; Willis, N; Winter, D; Woody, C L; Wysocki, M; Xie, W; Yamaguchi, Y L; Yanovich, A; Yasin, Z; Ying, J; Yokkaichi, S; Young, G R; Younus, I; Yushmanov, I E; Zajc, W A; Zaudtke, O; Zhang, C; Zhou, S; Zimányi, J; Zolin, L

    2014-01-01

    We have studied the dependence of azimuthal anisotropy $v_2$ for inclusive and identified charged hadrons in Au$+$Au and Cu$+$Cu collisions on collision energy, species, and centrality. The values of $v_2$ as a function of transverse momentum $p_T$ and centrality in Au$+$Au collisions at $\\sqrt{s_{_{NN}}}$=200~GeV and 62.4~GeV are the same within uncertainties. However, in Cu$+$Cu collisions we observe a decrease in $v_2$ values as the collision energy is reduced from 200 to 62.4~GeV. The decrease is larger in the more peripheral collisions. By examining both Au$+$Au and Cu$+$Cu collisions we find that $v_2$ depends both on eccentricity and the number of participants, $N_{\\rm part}$. We observe that $v_2$ divided by eccentricity ($\\varepsilon$) monotonically increases with $N_{\\rm part}$ and scales as ${N_{\\rm part}^{1/3}}$. The Cu$+$Cu data at 62.4 GeV falls below the other scaled $v_{2}$ data. For identified hadrons, $v_2$ divided by the number of constituent quarks $n_q$ is independent of hadron species as...

  8. High resolution electron microscopy study of a high Cu variant of Weldalite (tm) 049 and a high strength Al-Cu-Ag-Mg-Zr alloy

    Science.gov (United States)

    Herring, R. A.; Gayle, Frank W.; Pickens, Joseph R.

    1991-01-01

    Weldalite (trademark) 049 is an Al-Cu-Li-Ag-Mg alloy that is strengthened in artificially aged tempers primarily by very thin plate-like precipitates lying on the set of (111) matrix planes. This precipitate might be expected to be the T(sub 1) phase, Al2CuLi, which has been observed in Al-Cu-Li alloys. However, in several ways this precipitate is similar to the omega phase which also appears as the set of (111) planes plates and is found in Al-Cu-Ag-Mg alloys. The study was undertaken to identify the set of (111) planes precipitate or precipitates in Weldalite (trademark) 049 in the T8 (stretched and artificially aged) temper, and to determine whether T(sub 1), omega, or some other phase is primarily responsible for the high strength (i.e., 700 MPa tensile strength) in this Al-Cu-Li-Ag-Mg alloy.

  9. Characterization of Cu-exchanged SSZ-13: a comparative FTIR, UV-Vis, and EPR study with Cu-ZSM-5 and Cu-β with similar Si/Al and Cu/Al ratios.

    Science.gov (United States)

    Giordanino, Filippo; Vennestrøm, Peter N R; Lundegaard, Lars F; Stappen, Frederick N; Mossin, Susanne; Beato, Pablo; Bordiga, Silvia; Lamberti, Carlo

    2013-09-21

    Cu-SSZ-13 has been characterized by different spectroscopic techniques and compared with Cu-ZSM-5 and Cu-β with similar Si/Al and Cu/Al ratios and prepared by the same ion exchange procedure. On vacuum activated samples, low temperature FTIR spectroscopy allowed us to appreciate a high concentration of reduced copper centres, i.e. isolated Cu(+) ions located in different environments, able to form Cu(+)(N2), Cu(+)(CO)n (n = 1, 2, 3), and Cu(+)(NO)n (n = 1, 2) upon interaction with N2, CO and NO probe molecules, respectively. Low temperature FTIR, DRUV-Vis and EPR analysis on O2 activated samples revealed the presence of different Cu(2+) species. New data and discussion are devoted to (i) [Cu-OH](+) species likely balanced by one framework Al atom; (ii) mono(μ-oxo)dicopper [Cu2(μ-O)](2+) dimers observed in Cu-ZSM-5 and Cu-β, but not in Cu-SSZ-13. UV-Vis-NIR spectra of O2 activated samples reveal an intense and finely structured d-d quadruplet, unique to Cu-SSZ-13, which is persistent under SCR conditions. This differs from the 22,700 cm(-1) band of the mono(μ-oxo)dicopper species of the O2 activated Cu-ZSM-5, which disappears under SCR conditions. The EPR signal intensity sets Cu-β apart from the others.

  10. Cu(I)-N heterocyclic carbene complexes: Synthesis, catalysis and DFT studies

    Science.gov (United States)

    Dinda, Joydev; Roymahapatra, Gourisankar; Sarkar, Deblina; Mondal, Tapan K.; Al-Deyab, Salem S.; Sinha, Chittaranjan; Hwang, Wen-Shu

    2017-01-01

    The structural, spectroscopic and catalytic properties of the two Cu(I) complexes [Cu2(L1)2](PF6)2;(1) and [Cu2(L2)2](PF6)2; (2), bearing proligands 2,6-bis-(N-methylimidazolium)pyrazine hexafluorophosphate (L1) and 2,6-bis-(N-methylbenzimidazolium)pyrazine hexafluorophosphate (L2), have been investigated. The solid state structure of 1 has been determined by X-ray diffraction studies, while DFT computation technique has been used to optimize structure 2. From molecular orbital calculations using TD-DFT, the absorption bands are assigned to metal to ligand charge transfer(MLCT) along with some inter ligand charge transfer (ILCT) transitions. Complexes 1 and 2 possess very weak Cu(I)sbnd Cu(I) interactions within the reported distance 2.947-3.020 Å. They are expected to have luminescent properties due to Cu(I)sbnd Cu(I) interactions. Preliminary studies revealed both complexes to possess catalytic efficiency in general hydrosilylation reactions.

  11. Microstructural study and numerical simulation of phase decomposition of heat treated Co–Cu alloys

    Directory of Open Access Journals (Sweden)

    A.M. Mebed

    2014-12-01

    Full Text Available The influence of heat treatment on the phase decomposition and the grain size of Co–10 at% Cu alloy were studied. Few samples were aged in a furnace for either 3 or 5 h and then quenched in iced water. The materials and phase compositions were investigated using energy dispersive spectrometry and X-ray diffraction techniques. X-ray diffraction analysis showed that the samples contained Co, Cu, CuO, CoCu2O3, CoCuO2 phases in different proportions depending on the heat treatment regimes. The formation of dendrite Co phase rendered the spinodal decomposition while the oxidations prevent the initiation of the spinodal decomposition even for a deep long aging inside the miscibility gap. Since the Bragg reflections from different phases of Co–Cu alloy significantly overlap, the crystal structural parameters were refined with FULLPROF program. The shifts in the refined lattice constants (a, b and c, the space group and the grain size were found to be phase- and heat treatment-dependant. Two-dimensional computer simulations were conducted to study the phase decomposition of Co–Cu binary alloy systems. The excess free energy as well as the strain energy, without a priori knowledge of the shape or the position of the new phase, was precisely evaluated. The results indicate that the morphology and the shape of the microstructure agree with SEM observation.

  12. Spin Labeling ESR Investigation of Covalently Bound Residues in Soil

    Science.gov (United States)

    Aleksandrova, Olga; Steinhoff, Heinz-Juergen; Klasmeier, Joerg; Schulz, Marcus; Matthies, Michael

    2013-04-01

    Organic xenobiotic chemicals, such as pesticides, biocides and veterinary pharmaceuticals, interact with soil, which results in the simultaneous formations of metabolites, mineralization products, and bound or non-extractable residues (NER). Substances or metabolites with reactive functional groups, such as aniline or phenol, have a tendency to give a larger proportion of NER. Despite numerous studies on NER, the majority of their chemical structures is still unknown. Reversible sequestration and irreversible formation of NER were also observed for veterinary antibiotic pharmaceuticals, after their application to soil with and without manure. For this purpose, we hypothesized a key role of specific functional groups of soil contaminants, via which contaminants are covalently bound to soil constituents, and advance a method of spin labeling ESR investigation of reaction products using a membrane method. Spin labels (SL) represent chemically stable paramagnetic molecules used as molecular labels and molecular probes for testing the covalent binding, structural properties, and molecular mobility of different physical, chemical, and biological systems. In the case of covalent binding of SL, their ESR spectra become broadened. We used stable nitroxide radicals (NR) as SL. These radicals modeled organic chemical contaminants and differed only in one functional group. The paramagnetic SL 4-Amino Tempo (4-amino-2,2,6,6-tetramethyl-1-piperidinylox) differed from Tempo (2,2,6,6-Tetramethylpiperidinooxy) in a substituent at the para-position of the piperidine ring, whereas Aniline Tempo (1-Piperidinyloxy, 2,2,6,-tetramethyl, 6-Aniline) differed from Tempo in an Aniline substituting one CH3 functional group. Before experimental analysis, we tested temporal changes in the concentration of both NR incubated with soil and found that the life-times of them in soil exceeded 3 days. We contaminated and labeled soil samples with NR, adding to soil the aqueous solution, which already

  13. Rotating ring-disk electrode studies of Cu-Zn alloy electrodissolution in 1M HCl: Effect of benzotriazole

    Energy Technology Data Exchange (ETDEWEB)

    Costa, S.L.F.A. da; Nobe, K. [Univ. of California, Los Angeles, CA (United States). Dept. of Chemical Engineering; Agostinho, S.M.L. [Univ. de Sao Paulo (Brazil). Dept. de Quimica Fundamental

    1993-12-01

    The electrodissolution behavior of Cu and Cu-rich Cu-Zn alloys in 1M HCl containing benzotriazole (BTA) was studied using rotating ring-disk electrodes. Cu(I) was the main product of Cu-Zn alloy dissolution with Cu(II) detected only at higher potentials. Electrodissolution of the Cu component was similar to that of copper with an apparent Tafel slope of 60 mV/dec. Cu component dissolution rates exhibited strong mass-transfer effects in the entire potential range studied. A CuCl film formed on the alloy surfaces in the current peak region. In the limiting current region the rates of Cu(I) dissolution from both alloys and copper were essentially equivalent and indicate CuCl{sup {minus}}{sub 2} as the principal diffusing species. Significant selective electrodissolution of Zn was observed in the apparent Tafel region. The formation of a duplex film was indicated in the presence of BTA with a nonporous Cu(I) BTA inner layer and a porous CuCl outer layer.

  14. Synthesis, spectral, thermal and theoretical studies of Cu(II) complexes with 3-[4‧-dimethylaminophenyl]-1-(2-pyridyl)prop-2-en-1-one (DMAPP)

    Science.gov (United States)

    Gaber, M.; El-Daly, S. A.; El-Sayed, Y. S. Y.

    2009-03-01

    Cu(II) complexes of 3-[4'-dimethylaminophenyl]-1-(2-pyridyl) prop-2-en-1-one (DMAPP) are prepared and characterized by elemental analysis as well as spectral studies (IR and UV-vis), ESR, magnetic susceptibilities and thermal studies. The effect of different alcoholic solvents as well as the temperature on the complex formation is studied. The effect of Cu(II) ion on the emission spectrum of the free chalcone is also assigned. The stoichiometry, stability constant, absorption maximum and molar absorptivity of the metal complexes as well as the effect of pH, temperature on complex formation are determined spectrophotometrically. Adherence to Beer's law and Ringbom optimum concentration ranges are determined. The thermal decomposition of the metal complexes is studied by TGA technique. The kinetic parameters like activation energy, pre-exponential factor and entropy of activation are estimated. The structure of complexes was energetically optimized through molecular mechanics applying MM + force field coupled with molecular dynamics simulation.

  15. Synthesis, spectroscopic, antimicrobial and DNA cleavage studies of new Co(II), Ni(II), Cu(II), Cd(II), Zn(II) and Hg(II) complexes with naphthofuran-2-carbohydrazide Schiff base

    Science.gov (United States)

    Halli, Madappa B.; Sumathi, R. B.

    2012-08-01

    A series of Co(II), Ni(II), Cu(II), Cd(II), Zn(II) and Hg(II) complexes have been synthesized with newly synthesized Schiff base derived from naphthofuran-2-carbohydrazide and cinnamaldehyde. The elemental analyses of the complexes are confined to the stoichiometry of the type MLCl2 [M = Co(II) and Cu(II)], ML2Cl2 [M = Ni(II), Cd(II), Zn(II) and Hg(II)] respectively, where L is Schiff base ligand. Structures have been proposed from elemental analyses, IR, electronic, mass, 1H NMR, ESR spectral data, magnetic, and thermal studies. The measured low molar conductance values in DMF indicate that the complexes are non-electrolytes. Spectroscopic studies suggest coordination occurs through azomethine nitrogen and carbonyl oxygen of the ligand with the metal ions. The Schiff base and its complexes have been screened for their antibacterial (Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Salmonella typhi) and antifungal (Aspergillus niger, Aspergillus flavus, Cladosporium and Candida albicans) activities by minimum inhibitory concentration (MIC) method. The DNA cleavage studies by agarose gel electrophoresis method was studied for all the complexes.

  16. ESR dosimetry using eggshells and tooth enamel for accidental dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Oka, Toshihide; Yamanaka, Chihiro; Ikeya, Motoji [Department of Earth and Space Science, Faculty of Science, Osaka Univ., Toyonaka, Osaka (Japan)

    1997-07-01

    The CO{sub 2}{sup -} signal of eggshells showed a good dose linearity and was appropriate in the wide dose range from 1 to 10 kGy, while ESR signal of CO{sub 2}{sup -} in sea and fresh water shells were saturated at a dose od below 10 kGy. The minimum detectable dose and G-value of CO{sub 2}{sup -} in eggshells were estimated 0.3 Gy and 0.28, respectively. The lifetime of CO{sub 2}{sup -} in eggshells could not be determined exactly because of overlapping organic signals, however it is still sufficiently long for practical use as ESR dosimeter materials. Various bird`s or reptile`s eggshells would be available as natural retrospective ESR dosimeter materials after nuclear accidents. Eggshells will be useful for the food irradiation dosimetry in the dose range of about a few kGy. Tooth enamel is one of the most useful dosimeter materials in public at a accident because of its high sensitivity. ESR dosimetry will replace TLD in near future if the cost of an ESR reader is further reduced . (author)

  17. Temperature effects on sex determination and ontogenetic gene expression of the aromatases cyp19a and cyp19b, and the estrogen receptors esr1 and esr2 in atlantic halibut (Hippoglossus hippoglossus).

    Science.gov (United States)

    van Nes, Solveig; Andersen, Øivind

    2006-12-01

    The aromatase (CYP19) and estrogen receptor (ESR) play important roles in the molecular mechanism of sex determination and differentiation of lower vertebrates. Several studies have proven these mechanisms to be temperature sensitive, which can influence the direction of phenotypic gender development. A temperature study was conducted to examine the effect of temperature on the sex differentiation in farmed Atlantic halibut. Sexually undifferentiated larvae were exposed to 7 degrees C, 10 degrees C, or 13 degrees C during gonadal differentiation. Temperature effects on the transcription rate of the aromatase genes cyp19a (ovary type) and cyp19b (brain type) and the ESR genes esr1 and esr2 were examined by quantitative real-time PCR. With increasing temperatures, both cyp19a mRNA levels and the female incidence showed a decreasing trend, thus strongly indicating a relation between the expression of cyp19a and morphological ovary differentiation. In contrast to cyp19a, the levels of cyp19b, esr1, and esr2 mRNA strongly increased in all temperature groups throughout the study period, and did not show obvious temperature-related expression patterns. The present data provide evidence that posthatching temperature exposure significantly affects the expression of cyp19a mRNA during the developmental period and that high temperature possibly influences genetic sex determination in Atlantic halibut. Though, the female incidence never exceeded 50%, suggesting that only the homogametic (XX) female is thermolabile. So whereas temperature treatment is not likely suitable for direct feminization in halibut, the possibility for high-temperature production of XX neomales for broodstock to obtain all-female offspring by crossing with XX females is suggested.

  18. Molecular Dynamics study of Pb overlayer on Cu(100)

    Science.gov (United States)

    Karimi, M.; Tibbits, P.; Ila, D.; Dalins, I.; Vidali, G.

    1991-01-01

    Isothermal-isobaric Molecular Dynamics (MD) simulation of a submonolayer Pb film in c(2x2) ordered structure adsorbed on a Cu(100) substrate showed retention of order to high T. The Embedded Atom Method (EAM) calculated the energy of atoms of overlayer and substrate. The time-averaged squared modulus of the two dimensional structure factor for the Pb overlayer measured the order of the overlayer. The results are for increasing T only, and require verification by simulated cooling.

  19. Molecular Dynamics study of Pb overlayer on Cu(100)

    Science.gov (United States)

    Karimi, M.; Tibbits, P.; Ila, D.; Dalins, I.; Vidali, G.

    1991-01-01

    Isothermal-isobaric Molecular Dynamics (MD) simulation of a submonolayer Pb film in c(2x2) ordered structure adsorbed on a Cu(100) substrate showed retention of order to high T. The Embedded Atom Method (EAM) calculated the energy of atoms of overlayer and substrate. The time-averaged squared modulus of the two dimensional structure factor for the Pb overlayer measured the order of the overlayer. The results are for increasing T only, and require verification by simulated cooling.

  20. NMR Study of the Dimerized State in CuIr{sub 2}S{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Kumagai, Ken-ichi, E-mail: kumagai@phys.sci.hokudai.ac.jp; Sasaki, Mayumi; Kakuyanagi, Kosuke [Hokkaido University, Division of Physics, Graduate School of Science (Japan); Nagata, Shoichi [Muroran Institute of Technology, Department of Materials Science and Engineering (Japan)

    2004-12-15

    We have investigated the metal-insulator transition (MIT) of CuIr{sub 2}S{sub 4} by a high resolution NMR measurement. The Cu-NMR spectrum below T{sub MI} is broadened and split into four Cu signals with sizable electric quadrupole interactions. The NMR results are consistent with the charge ordering of Ir{sup 3+} and Ir{sup 4+} and the spin dimerization of Ir{sup 4+} spins, as revealed by a recent X-ray study.

  1. Study on Al-Cu-Si braze containing small amount of rare earth erbium

    Institute of Scientific and Technical Information of China (English)

    Yao-wu SHI; Yang YU; Zhi-dong XIA; Yong-ping LEI; Xiao-yan LI; Fu GUO; Jian-ping LIU

    2008-01-01

    In the present work, the effect of a small amount of rare earth Er addition on the microstructure of Al-Cu-Si brazing alloy has been investigated. In the study, the Al-20Cu-7Si brazing alloys with various Er contents were prepared. 3003 aluminum alloy was chosen as a substrate The microstructure of the brazed alloys was carefully observed. In addition, melting temperature, wettability and hardness of the brazing alloys were mea-sured. The results indicate that the constituent of the microstructure of Al-20Cu-7Si-Er brazed alloy is similar to the Al-20Cu-7Si, which is mainly comprised of solid solutions of aluminum, silicon and the intermetallic com-pounds CuAl2. When the Er content increases, the size of AI phases is decreased, and the filament-like or needle-like Si phase is thickened. The Si phases dominating in the shape of a filament or needle are transformed to those in the shape of a block when Er content is increased. Moreover, adding a small amount of Er can improve the wettability and hardness of the Al-20Cu-7Si brazing alloy. However, the melting temperature of the Al-20Cu-7Si alloy is almost unchanged when a small amount of Er is added.

  2. Local translational diffusion rates of membranous Na+,K(+)-ATPase measured by saturation transfer ESR spectroscopy.

    OpenAIRE

    Esmann, M.; Marsh, D.

    1992-01-01

    Diffusion-controlled Heisenberg spin exchange between spin-labeled Na+,K(+)-ATPase [ATP phosphohydrolase (Na+/K(+)-transporting), EC 3.6.1.37] proteins has been studied by saturation transfer ESR spectroscopy in reconstituted membranes. Na+,K(+)-ATPase from the salt gland of Squalus acanthias was solubilized in a polyoxyethylene ether detergent, octa(ethylene glycol) dodecyl monoether. Part of the solubilized enzyme was covalently spin-labeled with a nitroxide derivative of indanedione and re...

  3. ESR1 Gene Polymorphisms and Prostate Cancer Risk: A HuGE Review and Meta-Analysis.

    Directory of Open Access Journals (Sweden)

    Yu-Mei Wang

    Full Text Available Many published data on the association between single nucleotide polymorphisms (SNPs in the ESR1 gene and prostate cancer susceptibility are inconclusive. The aim of this Human Genome Epidemiology (HuGE review and meta-analysis is to derive a more precise estimation of this relationship.A literature search of PubMed, Embase, Web of Science and Chinese Biomedical (CBM databases was conducted from their inception through July 1st, 2012. Crude odds ratios (ORs with 95% confidence intervals (CIs were calculated to assess the strength of association.Twelve case-control studies were included with a total 2,165 prostate cancer cases and 3,361 healthy controls. When all the eligible studies were pooled into the meta-analysis, ESR1 PvuII (C>T and XbaI (A>G polymorphisms showed no association with the risk of prostate cancer. However, in the stratified analyses based on ethnicity and country, the results indicated that ESR1 PvuII (C>T polymorphism was significantly associated with increased risk of prostate cancer among Asian populations, especially among Indian population; while ESR1 XbaI (A>G polymorphism may significantly increase the risk of prostate cancer among American population. Furthermore, we also performed a pooled analysis for all eligible case-control studies to explore the role of codon 10 (T>C, codon 325 (C>G, codon 594 (G>A and +261G>C polymorphisms in prostate cancer risk. Nevertheless, no significant associations between these polymorphisms and the risk of prostate cancer were observed.Results from the current meta-analysis indicate that ESR1 PvuII (C>T polymorphism may be a risk factor for prostate cancer among Asian populations, especially among Indian population; while ESR1 XbaI (A>G polymorphism may increase the risk of prostate cancer among American population.

  4. Study of the C-14-contamination potential of C-impurities in CuO and Fe

    NARCIS (Netherlands)

    Vandeputte, K; Moens, L; Dams, R; van der Plicht, Johannes

    1998-01-01

    The carbon concentration in CuO and iron was determined by isolating C. The values were in agreement with results reported in other studies. Contaminating carbon from CuO and Fe was transformed to AMS targets and measured for C-14. C-traces in CuO were shown to be the major contribution to the C-14

  5. Mitochondria-selective reduction of [sup 62]Cu-pyruvaldehyde bis(N[sup 4]-methylthiosemicarbazone)([sup 62]Cu-PTSM) in the murine brain; A novel radiopharmaceutical for brain positron emission tomography (PET) imaging

    Energy Technology Data Exchange (ETDEWEB)

    Fujibayashi, Yasuhisa; Wada, Kouichi; Taniuchi, Hideyuki; Yonekura, Yoshiharu; Konishi, Junji; Yokoyama, Akira (Kyoto Univ. (Japan). Faculty of Medicine)

    1993-02-01

    The retention mechanism of [sup 62]Cu-pyruvaldehyde bis(N[sup 4]-methylthiosemicarbazone)([sup 62]Cu-PTSM) in the murine brain was evaluated. For this purpose, stable Cu-PTSM was subjected to electron spin resonance spectrometry (ESR) and high performance liquid chromatography (HPLC) analysis to determine the valence state, coordination structure and tissue metabolism. In murine brain homogenate, ESR and HPLC analysis indicated the reduction and cleavage of Cu(II)-PTSM to Cu(I). This virtually irreversible reduction was specifically initiated by the mitochondrial enzymatic system in the murine brain. (author).

  6. Comparative Study of the Defect Point Physics and Luminescence of the Kesterites Cu2ZnSnS4 and Cu2ZnSnSe4 and Chalcopyrite Cu(In,Ga)Se2: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Romero, M. J.; Repins, I.; Teeter, G.; Contreras, M.; Al-Jassim, M.; Noufi, R.

    2012-08-01

    In this contribution, we present a comparative study of the luminescence of the kesterites Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe) and their related chalcopyrite Cu(In,Ga)Se2 (CIGSe). Luminescence spectroscopy suggests that the electronic properties of Zn-rich, Cu-poor kesterites (both CZTS and CZTSe) and Cu-poor CIGSe are dictated by fluctuations of the electrostatic and chemical potentials. The large redshift in the luminescence of grain boundaries in CIGSe, associated with the formation of a neutral barrier is clearly observed in CZTSe, and, to some extent, in CZTS. Kesterites can therefore replicate the fundamental electronic properties of CIGSe.

  7. Application of ESR spin label oximetry in food science.

    Science.gov (United States)

    Zhou, Yu-Ting; Yin, Jun-Jie; Lo, Y Martin

    2011-12-01

    Lipid oxidation attributed to the presence of oxygen has long been a focal area for food science research due in early years mainly to its broad impact on the quality and shelf stability. The need to effectively strategize interventions to detect and eventually eliminate lipid oxidation in food remains as evidence on nutritional and health implications continue to accumulate. Electron spin resonance (ESR) spin label oximetry has been shown capable of detecting dissolved oxygen concentration in both liquid and gaseous phases based on the collision between oxygen and stable free radicals. This review aimed to summarize not just the principles and rationale of ESR spin label oximetry but also the wide spectrum of ESR spin label oximetry applications to date. The feasibility to identify in very early stage oxygen generation and consumption offers a promising tool for controlling lipid oxidation in food and biological systems.

  8. Proper Versus Improper Mixtures in the ESR Model

    CERN Document Server

    Garola, Claudio

    2011-01-01

    The interpretation of mixtures is problematic in quantum mechanics (QM) because of nonobjectivity of properties. The ESR model restores objectivity reinterpreting quantum probabilities as conditional on detection and embodying the mathematical formalism of QM into a broader noncontextual (hence local) framework. We have recently provided a Hilbert space representation of the generalized observables that appear in the ESR model. We show here that each proper mixture is represented by a family of density operators parametrized by the macroscopic properties characterizing the physical system $\\Omega$ that is considered and that each improper mixture is represented by a single density operator which coincides with the operator that represents it in QM. The new representations avoid the problems mentioned above and entail some predictions that differ from the predictions of QM. One can thus contrive experiments for distinguishing empirically proper from improper mixtures, hence for confirming or disproving the ESR...

  9. Dealloying of Cu{sub x}Au studied by hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rajput, Parasmani, E-mail: parasmani.rajput@northwestern.edu [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Gupta, Ajay [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 017 (India); Detlefs, Blanka [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France); Kolb, Dieter M. [Institute for Electrochemistry, University of Ulm, D-89069 Ulm (Germany); Potdar, Satish [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452 017 (India); Zegenhagen, Jörg [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, F-38043 Grenoble (France)

    2013-10-15

    Highlights: ► The shift in binding energy of Cu and Au lines in CuAu alloys is opposite to expected from the nobility of the elements. ► The magnitude of the chemical shifts of the metal lines in CuAu alloys is strongly influenced by finite size effects and disorder. ► Cu 3s and/or Au 4f cross-sections are not well described by theory (Scofield). The Cu 3s photoabsorption cross-section seems to be strongly overestimated. ► We find/confirm that (CuAu) dealloying proceeds into depth like a spinodal decomposition. -- Abstract: We studied pristine and leached ultra-thin Cu{sub x}Au (x ≈ 4) films by hard X-ray photoelectron spectroscopy. The Au 4f and Cu 3s core levels show a shift in binding energy which is opposite to expected from the nobility of the elements, which is explained by charge transfer involving differently screening s and d valence levels of the elements [W. Eberhardt, S.C. Wu, R. Garrett, D. Sondericker, F. Jona, Phys. Rev. B 31 (1985) 8285]. The magnitude of the chemical shifts of the metal lines is strongly influenced by the finite size and disorder of the films. Angular dependent photoelectron emission allowed to assess the alloy composition as a function of depth larger than 5 nm. The potential controlled dealloying proceeds into depth like a spinodal decomposition with Cu going into solution and the remaining Au accumulating in the surface region. The compositional gradient did not lead to a significant broadening of the metal photoelectron lines suggesting a non-local screening mechanism.

  10. Critical assessment of electron spin resonance studies on Cu(I)-NO complexes in Cu-ZSM-5 zeolites prepared by solid- and liquid-state ion exchange.

    Science.gov (United States)

    Umamaheswari, V; Hartmann, Martin; Pöppl, Andreas

    2005-10-27

    Cu(I)-NO adsorption complexes were formed over Cu-ZSM-5 zeolites prepared by (i) solid-state ion exchange of NH(4)-ZSM-5 with CuCl and (ii) liquid-state ion exchange of ZSM-5 with Cu(CH(3)COO)(2). Electron spin resonance spectroscopy revealed the formation of two different Cu(I)-NO species A and B in both systems, whose spin Hamiltonian parameters are comparable with those already reported for the Cu(I)-NO species formed over 66% Cu(II) liquid-state ion-exchanged Cu-ZSM-5 materials. The population of the species A and B differs for the two systems studied. Formation of species B is more favored in the solid-state ion-exchanged Cu-ZSM-5 when compared to the liquid-state exchanged zeolite. The X-, Q- and W-band electron spin resonance spectra recorded at 6 and 77 K reveal the presence of a rigid geometry of the adsorption complexes at 6 K and a dynamic complex structure at higher temperatures such as 77 K. This is indicated by the change in the spin Hamiltonian parameters of the formed Cu(I)-NO species in both the liquid- and solid-state ion-exchanged Cu-ZSM-5 zeolites from 6 to 77 K. Possible models for the motional effects found at elevated temperatures are discussed. The temperature dependence of the electron spin phase memory time measured by two-pulse electron spin-echo experiments indicates, likewise, the onset of a motional process of the adsorbed NO molecules at temperatures above 10 K. The studies support previous assignments where the NO complexes are formed at two different Cu(I) cationic sites in the ZSM-5 framework and highlight that multifrequency electron spin resonance experiments at low temperatures are essential for reliable determination of the spin Hamiltonian parameters of the formed adsorption complexes for further comparison with Cu(I)-NO complex structures predicted by quantum chemical calculations.

  11. Chemosensing ability of hydroxynaphthylidene derivatives of hydrazine towards Cu2+: Experimental and computational studies

    Indian Academy of Sciences (India)

    Jayaraman Dessingiou; Jayshree K Khedkar; Chebrolu P Rao

    2014-07-01

    2-Hydroxynaphthylidene derivatives of hydrazine, namely L1, L2 and L3, were synthesized by going through two-step reactions and the products were characterized. The ion recognition properties of these receptors were studied using fluorescence and absorption spectroscopy. The receptors were found to be sensitive and selective towards Cu2+ in methanol solution among the 13 metal ions studied, namely Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Hg2+, Pb2+, Na+, K+, Ca2+ and Mg2+, by exhibiting switch off fluorescence. The stoichiometry of the complexed species was found to be 2:1. The fluorescence quenching with Cu2+ is in the order of L1 > L2 > L3. These conjugates were also found to act as colorimetric sensors for Cu2+ in solution by exhibiting visual colour change. The 2:1 complex shows a centrosymmetric structure based on DFT computations.

  12. Computational and ESR studies of electron attachment to decafluorocyclopentane, octafluorocyclobutane, and hexafluorocyclopropane: electron affinities of the molecules and the structures of their stable negative ions as determined from 13C and 19F hyperfine coupling constants.

    Science.gov (United States)

    ElSohly, Adel M; Tschumper, Gregory S; Crocombe, Richard A; Wang, Jih Tzong; Williams, Ffrancon

    2005-08-01

    High-resolution ESR spectra of the ground-state negative ions of hexafluorocyclopropane (c-C3F6*-), octafluorocyclobutane (c-C4F8*-), and decafluorocyclopentane (c-C5F10*-) are reported and their isotropic 19F hyperfine coupling constants (hfcc) of 198.6 +/- 0.4 G, 147.6 +/- 0.4 G, and 117.9 +/- 0.4 G, respectively, are in inverse ratio to the total number of fluorine atoms per anion. Together with the small value of 5.2 +/- 0.4 G determined for the isotropic 13C hfcc of c-C4F8*-, these results indicate that in each case the singly occupied molecular orbital (SOMO) is delocalized over the equivalent fluorines and possesses a nodal plane through the carbon atoms of a time-averaged D(nh) structure. A series of quantum chemical computations were carried out to further characterize these anions and their neutral counterparts. Both the B3LYP density functional and second-order Møller-Plesset perturbation theory (MP2) indicate that c-C3F6*- adopts a D(3h) geometry and a (2)A2'' ground electronic state, that c-C4F8*- adopts a D(4h) geometry and a (2)A2u ground electronic state, and that c-C5F10*- adopts a C(s) structure and a (2)A' electronic state. Moreover, the 19F hyperfine coupling constants computed with the MP2 method and a high quality triple-zeta basis set are within 1% of the experimental values. Also, the values computed for the 13C hfcc of c-C4F8*- are consistent with the experimental value of 5.2 G. Therefore, in keeping with the ESR results, these negative ions derived from first-row elements can be characterized as pi* species. In addition, the hypervalency of these perfluorocycloalkane radical anions has been clarified.

  13. Common genetic variation in the Estrogen Receptor Beta (ESR2) gene and osteoarthritis: Results of a meta-analysis

    NARCIS (Netherlands)

    J.M. Kerkhof (Hanneke); I. Meulenbelt (Ingrid); A. Gonzalez (Antonio); D.J. Hart (Deborah); A. Hofman (Albert); M. Kloppenburg (Margreet); N.E. Lane; J. Loughlin (John); M.C. Nevitt (Michael); H.A.P. Pols (Huib); F. Rivadeneira Ramirez (Fernando); E. Slagboom (Eline); T.D. Spector (Tim); L. Stolk (Lisette); A. Tsezou (Aspasia); A.G. Uitterlinden (André); A.M. Valdes (Ana Maria); J.B.J. van Meurs (Joyce); A.J. Carr (Andrew Jonathan)

    2010-01-01

    textabstractBackground: The objective of this study was to examine the relationship between common genetic variation of the ESR2 gene and osteoarthritis.Methods: In the discovery study, the Rotterdam Study-I, 7 single nucleotide polymorphisms (SNPs) were genotyped and tested for association with hip

  14. The Cu d-d excitation model: Studies of the insulating limit

    Energy Technology Data Exchange (ETDEWEB)

    Weber, W. (Inst. f. Physik, Univ. Dortmund (Germany, F.R.) Kernforschungszentrum Karlsruhe, INFP (Germany, F.R.)); Shelankov, A.L. (Kernforschungszentrum Karlsruhe, INFP (Germany, F.R.) A.F. Ioffe Physico-Technical Inst., Leningrad (USSR)); Zotos, X. (Inst. f. Theorie d. Kond. Materie, Univ. Karlsruhe (Germany, F.R.))

    1989-12-01

    In the Cu d-d excitation model the Jahn-Teller levels of Cu{sup ++} act as excitonic centers for the pairing of oxygen p holes. In this paper we survey studies of the model which have focussed first on superconductivity. In view of recent neutron data, the insulating limit is of specific interest. In this limit, the model describes cooperative Jahn-Teller systems as coupled systems of spin and orbital (pseudo-spin) degrees of freedom. (orig.).

  15. Antioxidant Capacity of Cultured Mammalian Cells Estimated by ESR Method

    Directory of Open Access Journals (Sweden)

    Tamar Kartvelishvili

    2004-01-01

    Full Text Available In the present study, the antioxidant capacity against hydrogen peroxide (H2O2, one of the stress-inducing agents, was investigated in two distinct cell lines: L-41 (human epithelial-like cells and HLF (human diploid lung fibroblasts, which differ in tissue origin, life span in culture, proliferate activity, and special enzyme system activity. The cell antioxidant capacity against H2O2 was estimated by the electron spin resonance (ESR spin-trapping technique in the Fenton reaction system via Fe+2 ion action with H2O2 resulting in hydroxyl radical generation. The effects of catalase inhibitors, such as sodium azide and 3-amino-1,2,4-triazole, on the antioxidant capacity of cells were tested. Based on our observation, it can be concluded that the defensive capacity of cells against H2O2 depends on the ratio between catalase/GPx/SOD and H2O2, especially at high-stress situations, and the intracellular balance of these enzymes are more important than the influence of the single component.

  16. In situ STM study of (100) Cu electrodes in sulfuric acid solution in the presence of benzotriazole: Adsorption, Cu corrosion, and Cu deposition

    Energy Technology Data Exchange (ETDEWEB)

    Vogt, M.R.; Polewska, W.; Magnussen, O.M.; Behm, R.J. [Univ. Ulm (Germany). Abteilung Oberflaechenchemie und Katalyse

    1997-05-01

    Atomic-resolution in situ scanning tunneling microscopy (STM) observations of (100) Cu electrodes in H{sub 2}SO{sub 4} solution containing 10{sup {minus}6} to 10{sup {minus}4} M benzotriazole (BTA) are presented. At potentials {le} {minus}0.6 V vs. a Hg/Hg{sub 2}SO{sub 4} (K{sub 2}SO{sub 4} sat.) reference electrode ordered superstructures of a chemisorbed BTA adlayer as well as a disordered, chainlike structure, suggesting a polymerized BTA film, were observed. Cu corrosion commences at potentials {le} {minus}0.4 V by the formation of monoatomic etch pits and slow step flow etching, resulting in roughening of the Cu surface. On changing the potential back to {le} {minus}0.6 V the surface becomes level again due to redeposition of dissolved Cu at the Cu steps.

  17. An alternative procedure for ESR identification of irradiated chicken drumsticks

    Energy Technology Data Exchange (ETDEWEB)

    Bordi, F. (Rome-2 Univ. (Italy). Dip. di Medicina Interna); Fattibene, P.; Onori, S.; Pantaloni, M. (Istituto Superiore di Sanita, Rome (Italy) Istituto Nazionale di Fisica Nucleare, Rome (Italy))

    The ESR spectroscopy is, at present, the most established technique for quantitative analysis of irradiated chicken bone using the additive dose method. In this paper we tried a different approach to the problem analyzing the ESR behavior of a batch of chicken bone samples coming randomly from the market. Using a suitable and standardized sample preparation technique and sample positioning in the microwave cavity, we obtained a coefficient of variation of about 30% for the batch response. The calibration curve, obtained using the batch behavior up to 10 kGy, was used for a quantitative test on unknown samples. (author).

  18. Solvothermal growth and morphology study of Cu 2Se films

    Science.gov (United States)

    Lin, Fei; Bian, Guo-Qing; Lei, Zhi-Xin; Lu, Zhe-Jun; Dai, Jie

    2009-05-01

    Solvothermal growth of cuprous selenide films on copper substrate has been succeeded by treating copper foil in the mixture of selenium powder and amines or hydrazine. The films were characterized by methods of XRD, SEM, TEM and optical spectra (Cu 2Se, JCPDS 47-1448). Films with hexagonal microcrystals can be obtained in hydrazine/water reaction system. When CTAB (CTAB = cetyltrimethylammonium bromide) is added to the system, the film is composed of thin leaf-like microcrystals. When ethylenediamine (en) is used as solvent, the leaf-like microcrystals are crimped.

  19. First-principles study of roles of Cu and Cl in polycrystalline CdTe

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Ji-Hui; Park, Ji-Sang; Metzger, Wyatt [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Yin, Wan-Jian [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); College of Physics, Optoelectronics and Energy and Collaborative, Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215006 (China); Wei, Su-Huai, E-mail: suhuaiwei@csrc.ac.cn [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Beijing Computational Science Research Center, Beijing 100094 (China)

    2016-01-28

    Cu and Cl treatments are important processes to achieve high efficiency polycrystalline cadmium telluride (CdTe) solar cells, thus it will be beneficial to understand the roles they play in both bulk CdTe and CdTe grain boundaries (GBs). Using first-principles calculations, we systematically study Cu and Cl-related defects in bulk CdTe. We find that Cl has only a limited effect on improving p-type doping and too much Cl can induce deep traps in bulk CdTe, whereas Cu can enhance p-type doping of bulk CdTe. In the presence of GBs, we find that, in general, Cl and Cu will prefer to stay at GBs, especially for those with Te-Te wrong bonds, in agreement with experimental observations.

  20. Electrogenic steps of light-driven proton transport in ESR, a retinal protein from Exiguobacterium sibiricum.

    Science.gov (United States)

    Siletsky, Sergey A; Mamedov, Mahir D; Lukashev, Evgeniy P; Balashov, Sergei P; Dolgikh, Dmitriy A; Rubin, Andrei B; Kirpichnikov, Mikhail P; Petrovskaya, Lada E

    2016-11-01

    A retinal protein from Exiguobacterium sibiricum (ESR) functions as a light-driven proton pump. Unlike other proton pumps, it contains Lys96 instead of a usual carboxylic residue in the internal proton donor site. Nevertheless, the reprotonation of the Schiff base occurs fast, indicating that Lys96 facilitates proton transfer from the bulk. In this study we examined kinetics of light-induced transmembrane electrical potential difference, ΔΨ, generated in proteoliposomes reconstituted with ESR. We show that total magnitude of ΔΨ is comparable to that produced by bacteriorhodopsin but its kinetic components and their pH dependence are substantially different. The results are in agreement with the earlier finding that proton uptake precedes reprotonation of the Schiff base in ESR, suggesting that Lys96 is unprotonated in the initial state and gains a proton transiently in the photocycle. The electrogenic phases and the photocycle transitions related to proton transfer from the bulk to the Schiff base are pH dependent. At neutral pH, they occur with τ 0.5ms and 4.5ms. At alkaline pH, the fast component ceases and Schiff base reprotonation slows. At pH8.4, a spectrally silent electrogenic component with τ 0.25ms is detected, which can be attributed to proton transfer from the bulk to Lys96. At pH5.1, the amplitude of ΔΨ decreases 10 fold, reflecting a decreased yield and rate of proton transfer, apparently from protonation of the acceptor (Asp85-His57 pair) in the initial state. The features of the photoelectric potential generation correlate with the ESR structure and proposed mechanism of proton transfer.

  1. Electronic structure and magnetic properties of monoclinic β-Cu2V2O7 : A GGA+U study

    Science.gov (United States)

    Yashima, Masatomo; Suzuki, Ryosuke O.

    2009-03-01

    A first-principles study on monoclinic C2/c copper pyrovanadate β-Cu2V2O7 has been performed using the generalized gradient approximation (GGA) and GGA+U method. The optimized unit-cell parameters and atomic coordinates of β-Cu2V2O7 agree well with experimental data. The optimized crystal structure of β-Cu2V2O7 indicates the existence of one-dimensional -Cu-Cu-Cu-Cu- chains. The electronic structure and magnetic properties were evaluated by the GGA+U calculations, which indicate that the β-Cu2V2O7 is a semiconducting antiferromagnetic material with an indirect band gap and local magnetic moment per Cu atom of 0.73μB . The intrachain exchanges for short and long Cu-Cu couples are estimated to be 6.4 and 4.1 meV, respectively, while the calculated interchain exchange (2.1 meV) is smaller, which indicate the one-dimensional character. The top of the valence band is composed of V3d , O2p , and Cu3d electrons while the bottom of the conduction band is primarily composed of Cu3d electrons. Valence electron-density distribution map indicates the V-O and Cu-O covalent bonds. Calculated partial electronic density of states strongly suggests that the V-O and Cu-O covalent bonds are mainly attributed to the overlaps of V3d and O2p atomic orbitals and of Cu3d and O2p , respectively.

  2. Study of CuInSe{sub 2} thin films prepared by electrodeposition

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, S.N.; Li, L.; Qiu, C.X.; Shih, I.; Champness, C.H. [Electrical Engineering Dept., McGill University, University Street, Montreal, QU (Canada)

    1995-07-30

    Thin films of p-type CuInSe{sub 2} prepared by a one-step electrodeposition method have been studied by constructing CdS/CuInSe{sub 2} junctions. After the electrodeposition, the CuInSe{sub 2} films were treated either in vacuum or in Ar. Cells of the form CdS (high {sigma})/CdS (low {sigma})/CuInSe{sub 2} were then fabricated for studying the electrodeposited films. Measurements were specifically carried out to determine the diffusion length of minority carriers in the p-type CuInSe{sub 2}. It was found that the minority carrier diffusion length in CuInSe{sub 2} films treated in Ar was generally greater than that for films treated in vacuum under similar conditions. A small area cell (active area 0.11 cm{sup 2}) with a conversion efficiency of about 7% (under 125 mW/cm{sup 2} illumination) has been fabricated

  3. ESR spectra and thermal diffusivity of Zn-Al layered double hydroxide

    Science.gov (United States)

    Ali Ahmed, Abdullah Ahmed; Abidin Talib, Zainal; Hussein, Mohd Zobir bin

    2012-01-01

    Zn-Al-NO3-LDH was synthesized using the co-precipitation method at pH 7±0.1 and ratio Zn/Al=4. The heat treatment of LDH was studied by X-ray diffraction (XRD) and thermogravimetric analysis (TGA/DTG) to investigate the stability of the LDH structure. The in situ electron spin resonance (ESR) spectra of fresh LDH from room temperature up to 190 °C were obtained, which are due to the presence of nitrate radicals in LDH interlayer. ESR spectra of sintered LDH below 200 °C (ex situ ESR spectra) were investigated, which are also due to the nitrate radicals. However, at 200 °C and above, spectra were due to the oxygen vacancies of ZnO, which was formed during the thermal treatment of LDH. Thermal diffusivity of LDH as a function of in situ temperatures results in a nonlinear relation, which is due to the changing water content of LDH when temperature increases. However, thermal diffusivity of LDH as a function of sintered temperatures showed a linear relation and the slope of these data demonstrated the dependency between thermal diffusivity and water content of LDH below 200 °C. For temperature above 180 °C, the thermal diffusivity behavior was mainly due to the ZnO phase in LDH.

  4. Physico-chemical and biological studies of Cu(II, Co(II and Ni(II complexes of an N4 coordinating ligand derived from diacetylbisethylenediamine and benzoic acid

    Directory of Open Access Journals (Sweden)

    Singh Pal Netra

    2012-01-01

    Full Text Available Mononuclear metal complexes of the type [ML1]Cl2 (where, M = = Cu(II, Co(II or Ni(II and L1 = ligand were synthesized by the reaction of a new N4 coordinating ligand, derived from diacetylbisethylenediamine with benzoic acid, and the corresponding hydrated metal chloride salts. The metal complexes were characterized by elemental analysis, melting point determination, molar conductance and magnetic moment measurements, IR, UV-Vis, 1H- and 13C-NMR, and ESR spectroscopy. The ligand and all the metal complexes were stable in the solid state at room temperature. From the analytical and spectroscopic investigations, the stoichiometry of the complexes was found to be 1:1 (metal:ligand. Based on the electronic spectra and magnetic moment data, the metal complexes had a square planar geometry. The molar conductance values show the 1:2 electrolytic nature of the metal complexes. A cyclic voltammetric study of the Cu(II metal complex has also performed, which showed one electron quasi-reversible reduction around -0.92 to -1.10 V. In vitro biological activities of the ligand and metal complexes was checked against two bacteria Bacillus subtilis and Escherichia coli and two fungi Aspirgillus niger and A. flavus which showed the antibacterial and antifungal properties of the ligand and its metal complexes.

  5. Contribution of polymorphisms in ESR1, ESR2, FSHR, CYP19A1, SHBG and NRIP1 genes to migraine susceptibility in Turkish population

    Indian Academy of Sciences (India)

    Salih Coşkun; Yavuz Yücel; Abdullah Çim; Beyhan Cengiz; Serdar Oztuzcu; Sefer Varol; Hasan H. Özdemir; Ertuğrul Uzar

    2016-03-01

    Migraine, a highly prevalent headache disorder, is regarded as a polygenic multifactorial disease. Single-nucleotide polymorphisms (SNPs) in the genes that involved in sex hormone metabolism may comprise risk for migraine, but the results of previous genetic association studies are conflicting. The aim of this study was to evaluate genetic variants in genes involved in oestrogen receptor and oestrogen hormone metabolism in a Turkish population. A total of 12 SNPs in the ESR1, ESR2, FSHR, CYP19A1, SHBG and NRIP1 genes were genotyped in 142 migraine cases and 141 nonmigraine controls, using a BioMark 96.96 dynamic array system. In addition, gene–gene interactions were analysed using generalized multifactor dimensionality reduction (GMDR) methods. According to GMDR analysis, our results indicated that there was a significant association between migraine and gene–gene interaction among the CYP19A1, FSHR, ESR1 and NRIP1. Single-gene variant analysis showed that a significant association was observed between the TT genotype of rs10046 and migraine susceptibility.When the analysis was performed only in women, the GG genotype of rs2229741 was different between migraineurs and controls. When the female migraine patients were divided into two groups, migraine related to menstruation (MRM) or migraine not related to menstruation (MNRM), GG genotype of rs726281 was significantly associated with MRM. These results suggested that rs10046 could play a potential role in migraine susceptibility in Turkish population. Also, the rare GG genotype of rs726281 appears to influence migraine susceptibility in a recessive manner in MRM subgroup of female patients. In addition, variant GG genotype of rs2229741 may reduce the risk of migraine in Turkish women.

  6. p-CuSCN/n-Si异质结的光电特性研究%Study on Photoelectron Characterization of p-CuSCN/n-Si Heterojunction

    Institute of Scientific and Technical Information of China (English)

    熊超; 朱锡芳; 陈磊; 袁洪春; 潘雪涛; 周祥才

    2013-01-01

    p-CuSCN/n-Si heterojunction was fabricated at a low cost by depositing p-CuSCN films using successive ionic layer adsorption and reaction (SILAR) on n-Si substrates.The structure of pCuSCN films analyzed by X-ray diffraction spectroscopy was β-phase structure.The photoelectric characteristics,carrier transport properties and conduction mechanisms of p-CuSCN/ n-Si were studied based on the testing of current-voltage (I-V) and capacitance-voltage (C-V) characteristics.The result shows that CuSCN / n-Si heterostructure junction has a good rectifying characteristic.Because the conduction band offset of the p-CuSCN/n-Si heterojunction is larger than the valence band offset,the current transport mechanism is dominated by the space-charge limited current (SCLC) conduction at forward bias voltages with no illumination.In this voltages area,a single carrier injection was induced and the main current of p-CuSCN/n-Si heterojunction was hole current.With illumination the CuSCN/n-Si heterojunction exhibits its good photoelectric response charactristic.This heterojunction diode can be well used for photoelectric detections and solar cells.%采用成本廉价的连续离子层沉积法在n型Si衬底上沉积β相的六方晶体结构的CuSCN薄膜制备了p-CuSCN/n-Si异质结.并通过测试其光照下的I-V和C-V特性对其光电特性以及载流子输运特性与导电机理进行了研究.研究表明,CuSCN/n-Si异质结存在良好的整流特性;由于在p-CuSCN/n-Si异质结界面处的导带补偿与价带补偿相差较大的缘故,在正向电压,无光照下,导电机理为空间电荷限制电流导电,此时空穴电流主导;在光照下,异质结表现出良好的光电响应,因此可以广泛应用在光电探测和太阳电池等领域.

  7. Paracoherence studies in Tl 2CaBa 2Cu 2O 8,CaLaBaCu 3O 7-y and CaSmBaCu 3O 7-y

    Science.gov (United States)

    Krishnan, H.; Sankaranarayanan, V.; Srinivasan, R.

    1990-08-01

    In ceramic superconductors, where the intergrain coupling is weak, the phase transition at T co corresponds to the temperature at which phase coherence occurs in all the grains. The region between T m, the mid point of the superconducting transition, and T co, the temperature at which the resistivity goes to zero, is called the paracofioerence region. The resistivity behaviour of single phase Tl 2CaBa 2Cu 2O 8, CaLaBaCu 3O 7-y and CaSmBaCu 3O 7-y has been studied in the above region and the results indicate that the excess conductivity varies as (T - T co) -γ.

  8. ESR dosimetry of fossil enamel: some comments about measurement precision, long-term signal fading and dose-response curve fitting.

    Science.gov (United States)

    Duval, M; Guilarte Moreno, V; Grün, R

    2013-12-01

    This work deals with the specific studies of three main sources of uncertainty in electron spin resonance (ESR) dosimetry/dating of fossil tooth enamel: (1) the precision of the ESR measurements, (2) the long-term signal fading the selection of the fitting function. They show a different influence on the equivalent dose (D(E)) estimates. Repeated ESR measurements were performed on 17 different samples: results show a mean coefficient of variation of the ESR intensities of 1.20 ± 0.23 %, inducing a mean relative variability of 3.05 ± 2.29 % in the D(E) values. ESR signal fading over 5 y was also observed: its magnitude seems to be quite sample dependant but is nevertheless especially important for the most irradiated aliquots. This fading has an apparent random effect on the D(E) estimates. Finally, the authors provide new insights and recommendations about the fitting of ESR dose-response curves of fossil enamel with a double saturating exponential (DSE) function. The potential of a new variation of the DSE was also explored. Results of this study also show that the choice of the fitting function is of major importance, maybe more than the other sources previously mentioned, in order to get accurate final D(E) values.

  9. Comparative reliability studies and analysis of Au, Pd-coated Cu and Pd-doped Cu wire in microelectronics packaging.

    Science.gov (United States)

    Chong Leong, Gan; Uda, Hashim

    2013-01-01

    This paper compares and discusses the wearout reliability and analysis of Gold (Au), Palladium (Pd) coated Cu and Pd-doped Cu wires used in fineline Ball Grid Array (BGA) package. Intermetallic compound (IMC) thickness measurement has been carried out to estimate the coefficient of diffusion (Do) under various aging conditions of different bonding wires. Wire pull and ball bond shear strengths have been analyzed and we found smaller variation in Pd-doped Cu wire compared to Au and Pd-doped Cu wire. Au bonds were identified to have faster IMC formation, compared to slower IMC growth of Cu. The obtained weibull slope, β of three bonding wires are greater than 1.0 and belong to wearout reliability data point. Pd-doped Cu wire exhibits larger time-to-failure and cycles-to-failure in both wearout reliability tests in Highly Accelerated Temperature and Humidity (HAST) and Temperature Cycling (TC) tests. This proves Pd-doped Cu wire has a greater potential and higher reliability margin compared to Au and Pd-coated Cu wires.

  10. Comparative reliability studies and analysis of Au, Pd-coated Cu and Pd-doped Cu wire in microelectronics packaging.

    Directory of Open Access Journals (Sweden)

    Gan Chong Leong

    Full Text Available This paper compares and discusses the wearout reliability and analysis of Gold (Au, Palladium (Pd coated Cu and Pd-doped Cu wires used in fineline Ball Grid Array (BGA package. Intermetallic compound (IMC thickness measurement has been carried out to estimate the coefficient of diffusion (Do under various aging conditions of different bonding wires. Wire pull and ball bond shear strengths have been analyzed and we found smaller variation in Pd-doped Cu wire compared to Au and Pd-doped Cu wire. Au bonds were identified to have faster IMC formation, compared to slower IMC growth of Cu. The obtained weibull slope, β of three bonding wires are greater than 1.0 and belong to wearout reliability data point. Pd-doped Cu wire exhibits larger time-to-failure and cycles-to-failure in both wearout reliability tests in Highly Accelerated Temperature and Humidity (HAST and Temperature Cycling (TC tests. This proves Pd-doped Cu wire has a greater potential and higher reliability margin compared to Au and Pd-coated Cu wires.

  11. Characterization of Cu-exchanged SSZ-13: a comparative FTIR, UV-Vis, and EPR study with Cu-ZSM-5 and Cu-β with similar Si/Al and Cu/Al ratios

    DEFF Research Database (Denmark)

    Giordanino, Filippo; Vennestrøm, Peter N. R.; Lundegaard, Lars Fahl

    2013-01-01

    revealed the presence of different Cu2+ species. New data and discussion are devoted to (i) [Cu–OH]+ species likely balanced by one framework Al atom; (ii) mono(μ-oxo)dicopper [Cu2(μ-O)]2+ dimers observed in Cu-ZSM-5 and Cu-β, but not in Cu-SSZ-13. UV-Vis-NIR spectra of O2 activated samples reveal......Cu-SSZ-13 has been characterized by different spectroscopic techniques and compared with Cu-ZSM-5 and Cu-β with similar Si/Al and Cu/Al ratios and prepared by the same ion exchange procedure. On vacuum activated samples, low temperature FTIR spectroscopy allowed us to appreciate a high...... concentration of reduced copper centres, i.e. isolated Cu+ ions located in different environments, able to form Cu+(N2), Cu+(CO)n (n = 1, 2, 3), and Cu+(NO)n (n = 1, 2) upon interaction with N2, CO and NO probe molecules, respectively. Low temperature FTIR, DRUV-Vis and EPR analysis on O2 activated samples...

  12. Spectral studies on CuO in sodium–calcium borophosphate glasses

    Indian Academy of Sciences (India)

    S SHAILAJHA; K GEETHA; P VASANTHARANI

    2016-08-01

    Transparent borophosphate glasses doped with CuO were prepared by melt quenching technique. X-ray diffraction (XRD), optical and luminescence properties of sodium–calcium borophosphate glasses doped with CuO have been studied. The XRD results showed the amorphous nature of the sample. The introduction of CuO was favourable for the colour changes from light blue to dark bluish green colour. Direct optical energy bandgaps before and after doping with different percents of copper oxide obtained in the range 4.81–2.99 eV indicated the role of copper in the glassy matrix by ultraviolet (UV) spectra. The glasses have more than 80% transparency for emission wavelength range, and strong absorption bands due to the charge transition of the Cu$^+$ and Cu$^{2+}$ ions were observed. The emission bands observed in the UV and blue regions are attributed to 3d$^9$4s–3d$^{10}$ triplet transition in Cu$^+$ ion.

  13. A kinetic and mechanistic study into the formation of the Cu-Cr layered double hydroxide.

    Science.gov (United States)

    Williams, Gareth R; Clout, Alexander; Burley, Jonathan C

    2013-06-14

    The formation of the layered double hydroxide [Cu2Cr(OH)6]Cl·yH2O from the reaction between CuO and aqueous CrCl3·6H2O was explored using synchrotron X-ray diffraction and ex situ analyses. The use of hard X-rays permitted time-resolved in situ studies to be performed as the reaction proceeded under a range of conditions. Additional information was obtained from ex situ experiments in which aliquots of the reaction mixture were removed, quenched, and subsequently analysed by laboratory X-ray diffraction, IR, UV-visible, and atomic emission spectroscopies. On the basis of these data, it is proposed that the reaction involves three steps. First, the solid CuO starting material is hydrolysed to give Cu(OH)2 chains, releasing Cu(2+) ions into solution. The Cu hydroxide chains subsequently condense with aqueous Cr(3+) species, Cl(-) ions and water molecules to give a hydrated form of the LDH. This material then extrudes some water to form a phase with a reduced interlayer spacing.

  14. Wetting and spontaneous infiltration: the case study of TaC/(Au, Al and Cu) compared to TiC/Cu

    Science.gov (United States)

    Aizenshtein, M.; Froumin, N.; Nafman, O.; Frage, N.

    2016-06-01

    Spontaneous infiltration of molten metals in to ceramic skeletons, in the course MMCs' production, is related to improved wetting of the ceramic by metals. TiC is considered a "metal-like" carbide and is supposed to be wetted well by metals through metallic bonding mechanism. Nevertheless, TiC/Cu exhibit an unusual behavior since spontaneous infiltration of molten Cu takes place, while TiC is partially wetted by Cu (θ=90°).In this work we studied the relation between wetting and spontaneous infiltration in the TaC/Au, Al and Cu systems. TaC is also considered a "metal-like" carbide and indeed no chemical interaction was observed at the interfaces of the studied systems.Sessile drop experiments showed almost perfect wetting in the three system but spontaneous infiltration occurred only in the first two (e.g. TaC/Au or Al). Thermodynamic calculation shows the difference between the systems which also has its' influence on the mechanical properties of the MMCs'. Further calculation clarifies the difference between TaC/Cu and TiC/Cu infiltration behavior, but is unable to explain the wetting results differences.Correlation between wetting and spontaneous infiltration in some cases is not straight forward and more studies and calculations on the atomistic level should be done in order to clarify this matter.

  15. Theory of two-dimensional ESR with nuclear modulation

    Science.gov (United States)

    Gamliel, Dan; Freed, Jack H.

    A formalism for computing 2D ESR lineshapes with nuclear modulation is developed in a form which is useful for planning phase cycles for particular purposes. A simple method of processing spectra, utilizing quadrature detection, is shown to enhance the selectivity of the phase cycling techniques. Computed ESR-COSY, ESR-SECSY, and 2D ELDOR lineshapes are presented for several kinds of polycrystalline and single-crystal samples which exhibit nuclear modulation, due to one or several nuclei. The two-dimensional methods are found to give more detailed structural information than the corresponding ESEEM spectra. New phase cycles are found to eliminate completely all transverse and axial peaks in 2D ELDOR and in ESR-COSY, and at the same time eliminate all artifacts arising from incomplete image rejection. Other phase cycles are presented for selecting in those experiments only axial peaks, for measuring T1. It is also shown how selective phase cycles may help to distinguish between coherent and exchange cross peaks. In the special case of nitroxides in typical Zeeman fields, there are no significant nuclear modulation effects from the 14N nuclear spin interaction, but those from the protons (or deuterons) will, in general, be significant.

  16. Structural and magnetic studies of CoCu granular alloy obtained by ion implantation of Co into a Cu matrix

    Energy Technology Data Exchange (ETDEWEB)

    Errahmani, H.; Berrada, A.; Colis, S.; Schmerber, G.; Dinia, A. E-mail: aziz@ipcms.u-strasbg.fr; Muller, D

    2001-05-01

    CoCu granular alloys have been prepared at room temperature using ion implantation of Co{sup +} ions into Cu host at 160 keV. The Cu layer has been deposited on silicon substrate by DC sputtering at room temperature. The as-implanted and annealed CoCu alloys at different temperatures have been characterized by X-ray diffraction, Rutherford back scattering (RBS) for the structural properties, resistivity and magnetization measurements for the magneto-transport properties. Magnetization measurements show a classical superparamagnetic behavior as expected for granular alloy. The observation of the giant magnetoresistance (GMR) at 300 deg. C annealing temperature indicates the beginning of Co phase decomposition. The decrease of the GMR at high annealing temperature is due to the atomic Co and Cu diffusion into Si substrate as supported by X-ray and RBS analysis.

  17. Role of valence states of adsorbates in inelastic electron tunneling spectroscopy: A study of nitric oxide on Cu(110) and Cu(001)

    Science.gov (United States)

    Shiotari, Akitoshi; Okuyama, Hiroshi; Hatta, Shinichiro; Aruga, Tetsuya; Alducin, Maite; Frederiksen, Thomas

    2016-08-01

    We studied nitric oxide (NO) molecules on Cu(110) and Cu(001) surfaces with low-temperature scanning tunneling microscopy (STM) and density functional theory (DFT). NO monomers on the surfaces are characterized by STM images reflecting 2 π* resonance states located at the Fermi level. NO is bonded vertically to the twofold short-bridge site on Cu(110) and to the fourfold hollow site on Cu(001). When NO molecules form dimers on the surfaces, the valence orbitals are modified due to the covalent bonding. We measured inelastic electron tunneling spectroscopy (IETS) for both NO monomers and dimers on the two surfaces, and detected characteristic structures assigned to frustrated rotation and translation modes by density functional theory simulations. Considering symmetries of valence orbitals and vibrational modes, we explain the intensity of the observed IETS signals in a qualitative manner.

  18. Developments and Applications of ESR Spin Trapping Technique in the Biological and Medical Studies%ESR自旋捕集技术的发展和在生物医学研究中的应用

    Institute of Scientific and Technical Information of China (English)

    赵保路

    2011-01-01

    ESR是研究自由基最直接和最有效的技术,但是这些自由基必须是相对稳定的,而且要达到一定浓度才能用ESR技术检测和研究.而生物体系中产生的自由基大部分是不稳定的,这是常规ESR波谱仪无法检测的.为了克服ESR技术的这一局限性,发展了自旋捕集技术,这是目前研究生物和医学体系中活泼自由基应用最多也是最成功的方法,每年都有新的自旋捕集剂合成和大量在生物医学应用的报道,为自由基生物医学的研究和发展做出了巨大贡献.作者建立和发展了捕捉超氧阴离子自由基、羟基自由基、脂质过氧化产生的脂类自由基、一氧化氮自由基和单线态氧及一氧化氮和氧自由基同时检测技术.利用这些技术开展了细胞、组织产生自由基机理,天然抗氧化剂的筛选及一些重大疾病如炎症、心脏病、老年痴呆症、帕金森综合症,中风,辐射损伤,蛋白质氧化,植物光合系统中产生活性自由基和植物的发病机理研究中的应用,取得了一系列研究结果.%ESR is the most direct and effective technique to detect free radicals, however because most free radicals in biological systems are not stable, it is difficult to detect the free radicals by normal ESR. In order to breakthrough this limit, the spin trapping technique has been developed and successfully applied to detect the free radicals in biological system. More new spin trapping agents and a lot of papers are published in the field every year, which promote the development of free radical biology and medicine. We have developed the technique of spin trapping technique to detect super oxide free radical, hydroxyl free radical, lipid free radical generated in lipid peroxidation, NO free radical and single oxygen in biological system. We have also developed a technique to simultaneously measure NO and oxygen free radicals generated from cell and tissues.Using this technique, we investigated

  19. Studies of the development and characterization of the Cu-Ni-Pt and Cu-Ni-Sn alloys for electro-electronic uses; Estudos do desenvolvimento e caracterizacao das ligas Cu-Ni-Pt e Cu-Ni-Sn para fins eletro-eletronicos

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Luis Carlos Elias da

    2006-07-01

    The Cu and its alloys have different applications in the owed modern society the excellent electric properties, thermal conductivity, resistance to the corrosion and other properties. These applications can be in valves, pipes, pots for absorption of solar energy, radiators for automobiles, current driver, electronic driver, thermostats elements and structural parts of nuclear reactors, as, for example, reels for field toroidal for a reactor of nuclear coalition. The alloys used in nuclear reactors, we can highlight Cu-Be, Cu-Sn and Cu-Pt. Ni and Co frequently are added to the Cu alloys so that the solubility is moved for temperatures more elevated with relationship to the binary systems of Cu-Sn and Cu-Pt. The addition of Ni-Pt or Ni-Sn to the Cu in the same or inferior percentages to 1,5% plus thermomechanical treatments changes the properties of the copper. We studied the electric conductivity and hardness Vickers of the Cu-Ni-Pt and Cu-Ni-Sn and compared with the electrolytic Cu. In the proposed flowcharts, breaking of the obtaining of the ingot, we proceeded with thermo mechanical treatments. (author)

  20. Cu-pyruvaldehyde-bis(N{sup 4}-methylthiosemicarbazone)(Cu-PTSM), a metal complex with selective NADH-dependent reduction by complex I in brain mitochondria. A potential radiopharmaceutical for mitochondria-functional imaging with positron emission tomography

    Energy Technology Data Exchange (ETDEWEB)

    Taniuchi, Hideyuki; Fujibayashi, Yasuhisa; Yokoyama, Akira [Kyoto Univ. (Japan). Faculty of Pharmaceutical Science; Okazawa, Hidehiko; Yonekura, Yoshiharu; Konishi, Junji

    1995-08-01

    The reductive retention mechanism of copper(II)-Pyruvaldehyde-bis (N{sup 4}-methylthiosemicarbazone) (Cu-PTSM), a generator-produced positron-emitting {sup 62}Cu-labeled radiopharmaceutical, was studied with non-radioactive and radioactive copper. Changes in the chemical form of Cu-PTSM were detected by electron spin resonance spectrometry (ESR) with cold copper. The effects of electron transport chain inhibitors on the reduction of Cu-PTSM were also examined. Rotenone and antimycin A activated the reduction of Cu-PTSM in the brain mitochondria by 1.6 and 1.4-fold, respectively, compared with untreated controls, while thenoyltrifluoroacetone (TTFA) had no effect on the reduction. These results were confirmed with radioactive copper. Furthermore, this reduction of Cu-PTSM was dependent on the protein concentration of mouse brain submitochondrial particle (SMP) with 1 mM NADH2.S%, 8mg-protein/ml: 69.0{+-}5.5%, each value was % of reduced Cu. Similarly, this reduction depended on NADH concentration at a fixed concentration of SMP (8mg-protein/ml). These results indicated that the electron transport chain, especially complex I, participate in the reduction mitochondria, and this suggested that Cu-PTSM has the potential to act as a functional imaging agent for diagnosis of the electron transport chain. (author).

  1. EXAFS STUDY OF THE SHORT RANGE STRUCTURE OF NANOCRYSTALLINE BCC-Fe80Cu20 SOLID SOLUTION

    Institute of Scientific and Technical Information of China (English)

    Y.Z. Yang; X.J. Bai; T.C. Kuang; G.M. Wang; S. Q. Wei

    2002-01-01

    The structure of bcc-Fe80 Cu2o solid solution produced by mechanical alloying of theelemental bcc-Fe and fcc-Cu powders has been studied using X-ray diffraction and theextended X-ray absorption fine structure (EXAFS) techniques. The disappearance ofelemental Fe and Cu X-ray diffraction (XRD) peaks and the presence of bcc structuralXRD peaks illustrate the formation of a nanocrystalline single-phase bcc-Fe80 Gu20solid solution. From the EXAFS results, the clear observation of Cu atoms taking onbcc coordination in the solid solution and Fe atoms remaining bcc structure furtherverifies the reality of atomic alloying between Fe and Cu atoms and the lattice changeof Cu from fcc to bcc. However, the supersaturated bcc solid solution is not chemicallyuniform, i.e., some regions are rich in Fe atoms and other regions rich in Cu atoms.

  2. Adsorption studies of Cu(II) on Boston fern (Nephrolepis exaltata Schott cv. Bostoniensis) leaves

    Science.gov (United States)

    Rao, Rifaqat Ali Khan; Khan, Umra

    2016-02-01

    Adsorption studies were done on Boston fern leaves for the effective removal of Cu(II) ions from aqueous solution. It has been tested for the first time for heavy metal adsorption from aqueous solution. This promising material has shown remarkable adsorption capacity towards Cu(II) ions which confirm its novelty, ease of availability, non-toxic nature, cheapness, etc., and give the main innovation to the present study. The adsorbent was analyzed by FT-IR, SEM and EDS. The effect of pH, contact time, initial metal ion concentration and temperature on the adsorption was investigated using batch process to optimize conditions for maximum adsorption. The adsorption of Cu(II) was maximum (96 %) at pH 4. The experimental data were analyzed by Langmuir, Freundlich and Tempkin isotherms. The kinetic studies of Cu(II)were carried out at room temperature (30 °C) in the concentration range 10-100 mg L-1. The data obtained fitted well with the Langmuir isotherm and pseudo-second-order kinetics model. The maximum adsorption capacity (q m) obtained from Langmuir adsorption isotherm was found to be 27.027 mg g-1 at 30 °C. The process was found to be exothermic and spontaneous in nature. The breakthrough and exhaustive capacities were found to be 12.5 and 37.5 mg g-1, respectively. Desorption studies showed that 93.3 % Cu(II) could be desorbed with 0.1 M HCl by continuous mode.

  3. File list: Oth.ALL.50.ESR1.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

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    Lifescience Database Archive (English)

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    Lifescience Database Archive (English)

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    Lifescience Database Archive (English)

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  1. ESR1 inhibits hCG-induced steroidogenesis and proliferation of progenitor Leydig cells in mice.

    Science.gov (United States)

    Oh, Yeong Seok; Koh, Il Kyoo; Choi, Bomi; Gye, Myung Chan

    2017-03-07

    Oestrogen is an important regulator in reproduction. To understand the role of oestrogen receptor 1 (ESR1) in Leydig cells, we investigated the expression of ESR1 in mouse Leydig cells during postnatal development and the effects of oestrogen on steroidogenesis and proliferation of progenitor Leydig cells (PLCs). In Leydig cells, the ESR1 expression was low at birth, increased until postnatal day 14 at which PLCs were predominant, and then decreased until adulthood. In foetal Leydig cells, ESR1 immunoreactivity increased from birth to postnatal day 14. These suggest that ESR1 is a potential biomarker of Leydig cell development. In PLCs, 17β-estradiol and the ESR1-selective agonist propylpyrazoletriol suppressed human chorionic gonadotropin (hCG)-induced progesterone production and steroidogenic gene expression. The ESR2-selective agonist diarylpropionitrile did not affect steroidogenesis. In PLCs from Esr1 knockout mice, hCG-stimulated steroidogenesis was not suppressed by 17β-estradiol, suggesting that oestrogen inhibits PLC steroidogenesis via ESR1. 17β-estradiol, propylpyrazoletriol, and diarylpropionitrile decreased bromodeoxyuridine uptake in PLCs in the neonatal mice. In cultured PLCs, 17β-estradiol, propylpyrazoletriol, and diarylpropionitrile reduced hCG-stimulated Ki67 and Pcna mRNA expression and the number of KI67-positive PLCs, suggesting that oestrogen inhibits PLC proliferation via both ESR1 and ESR2. In PLCs, ESR1 mediates the oestrogen-induced negative regulation of steroidogenesis and proliferation.

  2. Cu-Zn disorder in Cu2ZnGeSe4: A complementary neutron diffraction and Raman spectroscopy study

    Science.gov (United States)

    Gurieva, G.; Többens, D. M.; Valakh, M. Ya.; Schorr, S.

    2016-12-01

    The crystal structure of the quaternary compound semiconductor Cu2ZnGeSe4 (CZGSe) was investigated by the complementary use of neutron diffraction, and Raman spectroscopy. The powder sample, which resulting from wavelength dispersive X-ray spectroscopy (WDX) turned out to be single phase Cu-rich CZGSe, was synthesized by solid state reaction of the pure elements in an evacuated silica tube at 700 °C. Raman spectroscopy confirmed the homogeneity and phase purity of the sample, in addition, the kesterite type structure was suggested. Rietveld analysis of the neutron diffraction data confirmed that the compound crystallizes in the tetragonal kesterite type structure. The refined site occupancy factors were used to determine the average neutron scattering lengths of the cation sites, giving insights into cation distribution and finally point defect types. Thus it has been shown, that additional to the CuZn-ZnCu anti-site defects in the lattice planes at z=¼ and ¾ (Cu-Zn disorder) also the off-stoichiometry type related point defects like Cui and CuZn occur in Cu-rich CZGSe.

  3. Effect of Cu2+ Activation on Interfacial Water Structure at the Sphalerite Surface as Studied by Molecular Dynamics Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.; Wick, Collin D.

    2015-12-10

    In the first part of this paper, an experimental contact angle study of the fresh and Cu2+ activated sphalerite-ZnS surface as well as the covellite-CuS (001) surface is reported describing the increased hydrophobic character of the surface during Cu2+ activation. In addition to these experimental results, the fresh sphalerite-ZnS (110), copper-zinc sulfide-CuZnS2 (110), villamaninite- CuS2 (100), and covellite-CuS (001) surfaces were examined using Molecular Dynamics Simulation (MDS). Our MDS results on the behavior of interfacial water at the fresh sphalerite-ZnS (110), copper-zinc sulfide-CuZnS2 (110), villamaninite-CuS2 (100), and covellite-CuS (001) surfaces include simulated contact angles, water number density distribution, water dipole orientation, water residence time, and hydrogen-bonding considerations. The copper content at the Cu2+ activated sphalerite surface seems to account for the increased hydrophobicity as revealed by both experimental and MD simulated contact angle measurements. The relatively greater hydrophobic character developed at the Cu2+ activated sphalerite surface and at the copper-zinc sulfide surface has been described by MDS, based on the structure of interfacial water and its dynamic properties. L.X.D. acknowledges funding from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.

  4. In-situ XRD study of alloyed Cu{sub 2}ZnSnSe{sub 4}-CuInSe{sub 2} thin films for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Hartnauer, Stefan; Wägele, Leonard A.; Jarzembowski, Enrico; Scheer, Roland, E-mail: roland.scheer@physik.uni-halle.de

    2015-05-01

    We investigate the growth of Cu{sub 2}ZnSnSe{sub 4}-CuInSe{sub 2} (CZTISe) thin films using a 2-stage (Cu-rich/Cu-free) co-evaporation process under simultaneous application of in-situ angle dispersive X-ray diffraction (XRD). In-situ XRD allows monitoring the phase formation during preparation. A variation of the content of indium in CZTISe leads to a change in the lattice constant. Single phase CZTISe is formed in a wide range, while at high In contents a phase separation is detected. Because of different thermal expansion coefficients, the X-ray diffraction peaks of ZnSe and CZTISe can be distinguished at elevated substrate temperatures. The formation of ZnSe appears to be inhibited even for low indium content. In-situ XRD shows no detectable sign for the formation of ZnSe. First solar cells of CZTISe have been prepared and show comparable performance to CZTSe. - Highlights: • In-situ XRD study of two-stage co-evaporated Cu{sub 2}ZnSnSe{sub 4}-CuInSe{sub 2} alloyed thin films. • No detection of ZnSe with in-situ XRD due to Indium incorporation • Comparable efficiency of alloyed solar cells.

  5. Synthesis, Spectral Characterization, Molecular Modeling, and Antimicrobial Studies of Cu(II, Ni(II, Co(II, Mn(II, and Zn(II Complexes of ONO Schiff Base

    Directory of Open Access Journals (Sweden)

    Padmaja Mendu

    2012-01-01

    Full Text Available A series of Cu(II, Ni(II, Co(II, Mn(II, and Zn(II complexes have been synthesized from the schiff base ligand L. The schiff base ligand [(4-oxo-4H-chromen-3-yl methylene] benzohydrazide (L has been synthesized by the reaction between chromone-3-carbaldehyde and benzoyl hydrazine. The nature of bonding and geometry of the transition metal complexes as well as schiff base ligand L have been deduced from elemental analysis, FT-IR, UV-Vis, 1HNMR, ESR spectral studies, mass, thermal (TGA and DTA analysis, magnetic susceptibility, and molar conductance measurements. Cu(II, Ni(II, Co(II, and Mn(II metal ions are forming 1:2 (M:L complexes, Zn(II is forming 1:1 (M:L complex. Based on elemental, conductance and spectral studies, six-coordinated geometry was assigned for Cu(II, Ni(II, Co(II, Mn(II, and Zn(II complexes. The complexes are 1:2 electrolytes in DMSO except zinc complex, which is neutral in DMSO. The ligand L acts as tridentate and coordinates through nitrogen atom of azomethine group, oxygen atom of keto group of γ-pyrone ring and oxygen atom of hydrazoic group of benzoyl hydrazine. The 3D molecular modeling and energies of all the compounds are furnished. The biological activity of the ligand and its complexes have been studied on the four bacteria E. coli, Edwardella, Pseudomonas, and B. subtilis and two fungi pencillium and tricoderma by well disc and fusion method and found that the metal chelates are more active than the free schiff base ligand.

  6. A computational study of structural and magnetic properties of bi- and trinuclear Cu(II) complexes with extremely long Cu-Cu distances

    Science.gov (United States)

    Baryshnikov, Gleb V.; Minaev, Boris F.; Baryshnikova, Alina T.; Ågren, Hans

    2017-07-01

    Three recently synthesized copper(II) complexes with aroylhydrazones of trifluoroacetic and benzenecarboxylic acids (Dalton Trans., 2013, 42, 16878) have been computationally investigated by density functional theory within the broken symmetry approximation accounting for empirical dispersion corrections. A topological analysis of electron density distributions has been carried out using Bader's ;quantum theory of atoms in molecules; formalism. The calculated values of spin-spin exchange for the studied dinuclear complexes indicate a very weak ferromagnetic coupling of the unpaired electrons in good agreement with experimental data. At the same time, the trinuclear copper(II) complex possesses a low-spin doublet ground state with one ferromagnetic and two antiferromagnetic spin projections between the triangular-positioned Cu2+ ions. The estimated values of the coupling constants for the spin-spin exchange in this trinuclear complex are in a good agreement with experimental observations. The calculations support a mechanism of exchange coupling through the aromatic links in these strongly spin-separated systems.

  7. Structural study of nanocrystalline solid solution of Cu-Mo obtained by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar, C., E-mail: claudio.aguilar@usm.cl [Departamento de Ingenieria Metalurgica y de Materiales, Universidad Tecnica Federico Santa Maria, Avenida Espana 1680, Valparaiso (Chile); Instituto de Materiales y Procesos Termomecanicos, Universidad Austral de Chile, General Lagos 2086, Valdivia (Chile); Castro, F. [Centro de Estudios e Investigaciones Tecnicas de Gipuzkoa, Paseo de Manuel Lardizabal, N Degree-Sign 15 20018, San Sebastian (Spain); Martinez, V. [TEKMETALL, Metallurgical Solutions S.L., Paseo neinor, Iribar Kalea 5, F1. B. de Igara 20018, San Sebastian (Spain); Guzman, D. [Departamento de Ingenieria en Metalurgia, Facultad de Ingenieria, Universidad de Atacama y Centro Regional de Investigacion y Desarrollo Sustentable de Atacama (CRIDESAT), Av. Copayapu 485, Copiapo (Chile); Cuevas, F. de las; Lozada, L.; Vielma, N. [Centro de Estudios e Investigaciones Tecnicas de Gipuzkoa, Paseo de Manuel Lardizabal, N Degree-Sign 15 20018, San Sebastian (Spain)

    2012-06-30

    Highlights: Black-Right-Pointing-Pointer Extension of solid solution in Cu-Mo system achieved by mechanical alloying. Black-Right-Pointing-Pointer X-ray characterization of Cu-Mo system processed by mechanical alloying. Black-Right-Pointing-Pointer Structural study of nanocrystalline solid solution of Cu-Mo obtained by mechanical alloying. - Abstract: This work studied the structural evolution of Cu-xMo (x = 5 and 8 wt.%) alloys processed by mechanical alloying using x-ray diffraction profiles, scanning electron microscopy, differential scanning calorimetric and microhardness. X-ray diffraction analysis was done using the modified Williamson-Hall and Warren-Averbach methods. These were used to determine structural properties, such as crystallite size, stacking fault probability and energy, dislocation density of metallic powder as a function of the amount of Mo and milling time. The main results obtained for both alloys were higher dislocation density and Vickers microhardness values were measured and crystallites sizes of around 10 nm were measured for both systems at 50 h of milling. Lattice defects increase the free energy and the free energy curves shift upwards, therefore the solubility limits change and Cu-Mo solid solution is formed.

  8. Comparative Study of Cu Films Prepared by DC, High-Power Pulsed and Burst Magnetron Sputtering

    Science.gov (United States)

    Solovyev, A. A.; Oskirko, V. O.; Semenov, V. A.; Oskomov, K. V.; Rabotkin, S. V.

    2016-08-01

    A comparative study of deposition rate, adhesion, structural and electrical properties of nanocrystalline copper thin films deposited using direct current magnetron sputtering (DCMS) and different regimes of high power pulsed magnetron sputtering is presented. High-power impulse magnetron sputtering (HIPIMS) and burst regime (pulse packages) of magnetron sputtering are investigated. The ion and atomic flows toward the growing film during magnetron sputtering of a Cu target are determined. X-ray diffraction, scanning electron microscopy and atomic force microscopy were used to observe the structural characterization of the films. The resistivity of the films was measured using four-point probe technique. In all sputtering regimes, Cu films have mixture crystalline orientations of [111], [200], [311] and [220] in the direction of the film growth. As peak power density in studied deposition regimes was different in order of magnitude (from 15 W/cm2 in DC regime to 3700 W/cm2 in HIPIMS), film properties were also greatly different. DCMS Cu films exhibit a porous columnar grain structure. In contrast, HIPIMS Cu films have a slightly columnar and denser composition. Cu films deposited using burst regimes at peak power density of 415 W cm-2 and ion-to-atom ratio of about 5 have the densest composition and smallest electrical resistance.

  9. Trap and recombination centers study in sprayed Cu2ZnSnS4 thin films

    Science.gov (United States)

    Courel, Maykel; Vigil-Galán, O.; Jiménez-Olarte, D.; Espíndola-Rodríguez, M.; Saucedo, E.

    2014-10-01

    In this work, a study of trap and recombination center properties in polycrystalline Cu2ZnSnS4 thin films is carried out in order to understand the poor performance in Cu2ZnSnS4 thin film solar cells. Thermally stimulated current has been studied in Cu2ZnSnS4 deposited by pneumatic spray pyrolysis method using various heating rates, in order to gain information about trap centers and/or deep levels present within the band-gap of this material. A set of temperature-dependent current curves revealed three levels with activation energy of 126 ± 10, 476 ± 25, and 1100 ± 100 meV. The possible nature of the three levels found is presented, in which the first one is likely to be related to CuZn antisites, while second and third to Sn vacancies and SnCu antisites, respectively. The values of frequency factor, capture cross section, and trap concentration have been determined for each center.

  10. Study of thermodynamics and dynamics of removing Cu(II) by biosorption membrane of Penicillium biomass

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xin [Beijing Key Laboratory of Bioprocess, Beijing University of Chemical Technology, College of Life Science and Technology, Beijing 100029 (China); Su, Haijia, E-mail: suhj@mail.buct.edu.cn [Beijing Key Laboratory of Bioprocess, Beijing University of Chemical Technology, College of Life Science and Technology, Beijing 100029 (China); Tan, Tianwei; Xiao, Gang [Beijing Key Laboratory of Bioprocess, Beijing University of Chemical Technology, College of Life Science and Technology, Beijing 100029 (China)

    2011-10-15

    Based on the integration of biosorption and membrane-separation, a novel biosorption membrane with good mechanical property was prepared by immobilizing Penicillium biomass with cross-linked chitosan on fabric. The ability of the low cost biosorption membrane to remove Cu(II) ions from a solution was studied through batch and continuous experiments. Langmuir adsorption isotherm models were found to accurately fit the batch experimental data (R{sup 2} > 0.99) indicating that sorption was of monolayer-mode. The uptake of Cu(II) could reach 38 mg/g at its initial concentration of 200 mg/L in the solution. Continuous biosorption was investigated in a column and the effects of the height, flow rate and initial concentration of Cu(II) were studied. The Bed Depth Service Time model (BDST) was applied to simulate column adsorption data. The breakthrough time at different flow rates and initial concentrations was accurately predicted by the model (error < 8%). The uptake of Cu(II) could reach 38.3 mg/g at height 30 cm, flow rate 5 mL/min, initial concentration of Cu(II) 200 mg/L. The biosorption membrane was regenerated by washing with 0.05 mol/L solution of HCl, and breakthrough curves remained fairly unchanged after 10 cycles of adsorption-desorption.

  11. A first-principles study of the possible magnetism of Rh in the Cu/Rh/Cu(001) system

    CERN Document Server

    Jang, Y R; Chang, C S; Cho, L H; Lee, J I

    1999-01-01

    Possible 4d magnetism of a Rh monolayer in a Cu/Rh/Cu(001) system is investigated using the full-potential linearized augmented-plane-wave (FLAPW) energy band method based on the local-spin-density approximation (LSDA). We have calculated the total energy of the Cu/Rh/Cu(001) system and have found that the Rh monolayer is ferromagnetic (FM) with a tiny magnetic moment. However, the total energy difference between the ferromagnetic and the paramagnetic states is found to be very small, and thus which state can be realized at room temperature is uncertain. The calculated charge densities and layer-projected density of states (LDOS) are presented and discussed in relation to the magnetic properties.

  12. A numerical simulation study of CuInS{sub 2} solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Shang, Xunzhong; Wang, Zhiqiang; Li, Mingkai; Zhang, Lei; Fang, Jingang; Tai, Jiali; He, Yunbin, E-mail: ybhe@hubu.edu.cn

    2014-01-01

    In this paper CuInS{sub 2} solar cells have been numerically simulated based on a one-dimensional device physics simulator: Analysis of Microelectronic and Photonic Structures. Solar cells having a typical structure Al/ZnO:Al/n-CdS/p-CuInS{sub 2}/Mo have been modeled. Various factors that affect cell performance have been studied, such as thickness and bandgap of the CuInS{sub 2} absorber layer, and thickness of the CdS buffer layer. The photovoltaic parameters are determined from the current density–voltage curves. The solar spectral response and recombination mechanism of the cells are represented by quantum efficiency–λ curves and net recombination rate–position curves, respectively. In this study, a simulated efficiency of 20.4% has been obtained with open-circuit voltage of 0.94 V, short-circuit current density of 26.2 mA/cm{sup 2} and fill factor of 0.84 for the CuInS{sub 2} solar cell with a bandgap of 1.40 eV. It is found that optimal thicknesses of the CuInS{sub 2} absorber layer and the CdS buffer layer are around 2000 and 50 nm, respectively, while optimal bandgap of the CuInS{sub 2} absorber layer is 1.40 eV. - Highlights: • Absorption coefficients of the CuInS{sub 2} and ZnO:Al layers were obtained from experimental data. • AMPS-1D software was applied to simulate the CuInS{sub 2}-based solar cells. • Optimal thicknesses of the buffer and absorber layers are around 50 and 2000 nm, respectively. • Optimal bandgap energy of the absorber layer was found at 1.40 eV for CuInS{sub 2}-based solar cells. • The best simulated performance is Eff = 21.3%, V{sub oc} = 0.97 V, J{sub sc} = 26.4 mA/cm{sup 2}, and FF = 0.83.

  13. A study on brazing of Glidcop® to OFE Cu for application in Photon Absorbers of Indus-2

    Science.gov (United States)

    Yadav, D. P.; Kaul, R.; Ram Sankar, P.; Kak, A.; Ganesh, P.; Shiroman, R.; Singh, R.; Singh, A. P.; Tiwari, P.; Abhinandan, L.; Kukreja, L. M.; Shukla, S. K.

    2012-11-01

    The paper describes an experimental study aimed at standardizing brazing procedure for joining Glidcop to OFE Cu for its application in upgraded photon absorbers of 2.5 GeV synchrotron radiation source, Indus-2. Two different brazing routes, involving brazing with silver base (BVAg-8) and gold base (50Au/50Cu) alloys, were studied to join Glidcop to OFE Cu. Brazing with both alloys yielded helium leak tight and bakeable joints with acceptable shear strengths.

  14. Sonochemical synthesis and mechanistic study of copper selenides Cu(2-x)Se, beta-CuSe, and Cu(3)Se(2).

    Science.gov (United States)

    Xie, Yi; Zheng, Xiuwen; Jiang, Xuchuan; Lu, Jun; Zhu, Liying

    2002-01-28

    Nanocrystallites of nonstoichiometric copper selenide (Cu(2-x)Se) and stoichiometric copper selenides (beta-CuSe and Cu(3)Se(2)) were synthesized in different solutions via sonochemical irradiation at room temperature. The influence of solvents, surfactants, and ultrasonic irradiation on the morphology and phase of products has been investigated. The morphological difference of the products was mainly affected by the solvents and surfactants, which can self-aggregate into lamellar structures or microemulsions, and then these unique structures can act as both supramolecular template and microreactor to direct the growth of copper selenides. On the other hand, it was also found that the sonochemical irradiation and solvents played an important role in the formation of different phases of copper selenides. The proposed formation mechanism of copper selenides is discussed.

  15. Pressure- and Temperature-Dependent Study of Heusler Alloys Cu2MGa (M = Cr and V)

    Science.gov (United States)

    Gupta, Dinesh C.; Ghosh, Sukriti

    2017-04-01

    Full-potential computation of the electronic, magnetic, elastic and thermodynamic properties of Cu2MGa (M = Cr and V) alloys has been performed in the most stable Fm-3 m phase. The equilibrium lattice parameter is 5.9660 Å for Cu2CrGa and 5.9629 Å for Cu2VGa in the stable state. The application of mBJ potential has also found no energy gap in these alloys in either of the spin channels, hence they are metallic. The total and partial density of states, second-order elastic constants and their combinations are computed to show the electronic, magnetic, stability and brittle or ductile nature of these alloys, which are reported for the first time. Cauchy's pressure and Pugh's index predict Cu2CrGa to be brittle and Cu2VGa to be ductile. Both the materials are stiff enough to break. We have found that both the compounds are anisotropic, ferromagnetic and metallic in nature. We have used quasi-harmonic approximations to study the pressure and temperature variation of the thermodynamic properties of these alloys.

  16. X-ray scattering and magnetic susceptibility study of doped CuGeO sub 3

    CERN Document Server

    Wang, Y J; Lamarra, S C; Chou, F C; Kim, Y J; Masuda, T; Tsukada, I; Uchinokura, K; Birgeneau, R J

    2003-01-01

    We report comprehensive synchrotron x-ray scattering and magnetic susceptibility studies of the doped spin-Peierls materials Cu sub 1 sub - sub x Zn sub x GeO sub 3 and CuGe sub 1 sub - sub y Si sub y O sub 3. Temperature versus dopant concentration phase diagrams are mapped out for both Zn and Si dopants. The phase diagrams of both Cu sub 1 sub - sub x Zn sub x GeO sub 3 and CuGe sub 1 sub - sub y Si sub y O sub 3 closely resemble that of Cu sub 1 sub - sub x Mg sub x GeO sub 3 , including the observation that the spin gap is established at a much higher temperature than the temperature at which the spin-Peierls dimerization attains long-range order. The spin-Peierls transitions in doped samples exhibit unusual phase transition behavior, characterized by highly rounded phase transitions, Lorentzian squared lineshapes, and very long relaxation times. Phenomenological explanations for these observations are given by considering the effects of competing random bond interactions as well as random fields generate...

  17. Scanning tunneling microscopy study of molecular growth structures of Gd@C82 on Cu(111)

    Institute of Scientific and Technical Information of China (English)

    Chen Jian; Qin Zhi-Hui; Pan Jin-Bo; Lu Shuang-Zan; Du Shi-Xuan; Gao Hong-Jun; Cao Geng-Yu

    2013-01-01

    The coverage and temperature-dependent nucleation behaviors of the Gd@C82 metallofullerenes on Cu(111) have been studied by low-temperature scanning tunneling microscopy (LT-STM) in detail.Upon molecular deposition at low temperature,Gd@C82 molecules preferentially decorate the steps and nucleate into single layer islands with increasing coverage.Further annealing treatment leads some of the Gd@C82 molecules to assemble into bright and dim patches,which are correlated to the adsorption induced substrate reconstruction.Upon sufficient thermal activation,Gd@C82 molecules sink into the Cu(111) surface one-copper-layer-deep,forming hexagonal close-packed molecular islands with intra-molecular details observed as striped patterns.By considering the commensurability between the Gd@C82 nearest-neighbor distance and the lattice of the underlying Cu(111),we clearly identified two kinds of in-plane molecular arrangements as ((√)19 × (√)19)R23.4° and ((√)19 × (√)19)R36.6° with respect to Cu(111).Within the assembled Gd@C82 molecular,island molecules with dim-bright contrast are spatially distributed,which may be modulated by the preexisted species on Cu(111).

  18. Electronic Structure of Cu(tmdt2 Studied with First-Principles Calculations

    Directory of Open Access Journals (Sweden)

    Kiyoyuki Terakura

    2012-08-01

    Full Text Available We have studied the electronic structure of Cu(tmdt2, a material related to single-component molecular conductors, by first-principles calculations. The total energy calculations for several different magnetic configurations show that there is strong antiferromagnetic (AFM exchange coupling along the crystal a-axis. The electronic structures are analyzed in terms of the molecular orbitals near the Fermi level of isolated Cu(tmdt2 molecule. This analysis reveals that the system is characterized by the half-filled pdσ(− band whose intermolecular hopping integrals have strong one-dimensionality along the crystal a-axis. As the exchange splitting of the band is larger than the band width, the basic mechanism of the AFM exchange coupling is the superexchange. It will also be shown that two more ligand orbitals which are fairly insensitive to magnetism are located near the Fermi level. Because of the presence of these orbitals, the present calculation predicts that Cu(tmdt2 is metallic even in its AFM state, being inconsistent with the available experiment. Some comments will be made on the difference between Cu(tmdt2 and Cu(dmdt2.

  19. Cu(In,Ga)Se{sub 2} mesa diodes for the study of edge recombination

    Energy Technology Data Exchange (ETDEWEB)

    Paire, Myriam, E-mail: myriam.paire@edf.fr [Institute of Research and Development on Photovoltaic Energy, 6 Quai Watier, 78401 Chatou (France); Jean, Cyril; Lombez, Laurent [Institute of Research and Development on Photovoltaic Energy, 6 Quai Watier, 78401 Chatou (France); Collin, Stéphane; Pelouard, Jean-Luc [Laboratoire de Photonique et de Nanostructures, Route de Nozay, 91460 Marcoussis (France); Gérard, Isabelle [Institut Lavoisier de Versailles, UMR, 8180 Versailles (France); Guillemoles, Jean-François; Lincot, Daniel [Institute of Research and Development on Photovoltaic Energy, 6 Quai Watier, 78401 Chatou (France)

    2015-05-01

    The concentrating approach was applied on Cu(In,Ga)Se{sub 2} to develop photovoltaic devices with increased efficiency using less rare materials. To withstand the operating conditions, Cu(In,Ga)Se{sub 2} devices are miniaturized. Compared to previous generations of microcells, with only window layer structuration, microcells with a mesa design are fabricated. These microcells are created by etching ZnO, CdS and Cu(In,Ga)Se{sub 2} layers. The crucial issue addressed in this study is the electrical behavior of the device edges, to determine if microcells suffer from perimeter recombination. We analyze the influence of different etching techniques on the edge recombination signal. It is found that bromine etch result in well passivated surfaces, and devices as small as 50 × 50 μm do not experience edge recombination efficiency limitations. This behavior is remarkable compared to that of the microcells made of crystalline materials. For devices where the edges are deteriorated by a chemical post-treatment, a quasi-shunting signal coming from the edges is seen. We tested these microcells under concentrated illumination and important open-circuit voltage and efficiency gains are seen. - Highlights: • Cu(In,Ga)Se{sub 2} mesa diodes are fabricated by chemical etching. • Opto-electronic measurements show that mesa edges are passivated. • Open-circuit voltage over 950 mV is obtained at high concentration on Cu(In,Ga)Se{sub 2} micromesa diodes.

  20. Synthesis, spectral, thermal and magnetic studies of Mn(II), Ni(II) and Cu(II) complexes with some benzopyran-4-one Schiff bases.

    Science.gov (United States)

    el-Ansary, Aida L; Abdel-Fattah, Hussein M; Abdel-Kader, Nora S

    2011-08-01

    The Schiff bases of N(2)O(2) dibasic ligands, H(2)La and H(2)Lb are prepared by the condensation of ethylenediamine (a) and trimethylenediamine (b) with 6-formyl-7-hydroxy-5-methoxy-2-methylbenzopyran-4-one. Also tetra basic ligands, H(4)La and H(4)Lb are prepared by the condensation of aliphatic amines (a) and (b) with 6-formyl-5,7-dihydroxy-2-methylbenzopyran-4-one. New complexes of H(4)La and H(4)Lb with metal ions Mn(II), Ni(II) and Cu(II) are synthesized, in addition Mn(II) complexes with ligands H(2)La and H(2)Lb are also synthesized. Elemental and thermal analyses, infrared, ultraviolet-visible as well as conductivity and magnetic susceptibility measurements are used to elucidate the structure of the newly prepared metal complexes. The structures of copper(II) complexes are also assigned based upon ESR spectra study. All the complexes separated with the stoichiometric ratio (1:1) (M:L) except Mn-H(4)La and Mn-H(4)Lb with (2:1) (M:L) molar ratio. In metal chelates of the type 1:1 (M:L), the Schiff bases behave as a dinegative N(2)O(2) tetradentate ligands. Moreover in 2:1 (M:L) complexes, the Schiff base molecules act as mono negative bidentate ligand and binuclear complex is then formed. The Schiff bases were assayed by the disc diffusion method for antibacterial activity against Staphylococcus aureus and Escherichia coli. The antifungal activity of the Schiff bases was also evaluated against the fungi Aspergillus flavus and Candida albicans.

  1. Spin dynamics of S = 1/2 kagome lattice antiferromagnets observed by high-field ESR

    Energy Technology Data Exchange (ETDEWEB)

    Ohta, Hitoshi [Molecular Photoscience Research Center, Kobe University, Kobe 657-8501 (Japan); Graduate School of Science, Kobe University, Kobe 657-8501 (Japan); Zhang, Wei-min [Graduate School of Science, Kobe University, Kobe 657-8501 (Japan); Okubo, Susumu; Fujisawa, Masashi [Molecular Photoscience Research Center, Kobe University, Kobe 657-8501 (Japan); Sakurai, Takahiro [Center for Supports to Research and Education Activities, Kobe University, Kobe 657-8501 (Japan); Okamoto, Yoshihiko; Yoshida, Hiroyuki; Hiroi, Zenji [Institute for Solid State Physics (ISSP), University of Tokyo, Kashiwa, Chiba 277-8581 (Japan)

    2010-03-15

    Due to the existence of strong spin frustration in a system, the spin dynamics of S = 1/2 kagome lattice antiferromagnet at low temperature has attracted much interest. High-field ESR has been measured on its model substances, Cu{sub 3}V{sub 2}O{sub 7}(OH){sub 2} . 2H{sub 2}O (volborthite) and BaCu{sub 3}V{sub 2}O{sub 3}(OH){sub 2} (vesignieite), down to 1.8 K using pulsed magnetic fields up to 16 T. The measurements are performed for 160 and 315 GHz using polycrys-talline samples. Although both samples showed the g-shift and the change of linewidth at low temperature, volborthite showed a small gap excitation of the order of 40 GHz (1.9 K) while vesignieite showed a paramagnetic behavior down to 1.9 K. Observed difference will be discussed in connection with the crystal structure, and the possible spin liquid state in vesignieite will be discussed. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  2. Atomistic study of deposition process of Al thin film on Cu substrate

    Energy Technology Data Exchange (ETDEWEB)

    Cao Yongzhi, E-mail: yzcaohit@gmail.com [Center for Precision Engineering, Harbin Institute of Technology, Harbin (China); Zhang Junjie; Sun Tao; Yan Yongda; Yu Fuli [Center for Precision Engineering, Harbin Institute of Technology, Harbin (China)

    2010-08-01

    In this paper we report molecular dynamics based atomistic simulations of deposition process of Al atoms onto Cu substrate and following nanoindentation process on that nanostructured material. Effects of incident energy on the morphology of deposited thin film and mechanical property of this nanostructured material are emphasized. The results reveal that the morphology of growing film is layer-by-layer-like at incident energy of 0.1-10 eV. The epitaxy mode of film growth is observed at incident energy below 1 eV, but film-mixing mode commences when incident energy increase to 10 eV accompanying with increased disorder of film structure, which improves quality of deposited thin film. Following indentation studies indicate deposited thin films pose lower stiffness than single crystal Al due to considerable amount of defects existed in them, but Cu substrate is strengthened by the interface generated from lattice mismatch between deposited Al thin film and Cu substrate.

  3. Equilibrium, kinetic and thermodynamic studies on the biosorption of Cu(II) onto chestnut shell

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Z.-Y., E-mail: zengyuyao@126.com [Institute of Applied Ecology, Chinese Academy of Sciences, Shenyang, Liaoning 110016 (China); Qi, J.-H. [College of Life Sciences, Northwest A and F University, Yangling, Shaanxi 712100 (China); Wang, L.-H. [Institute of Applied Ecology, Chinese Academy of Sciences, Shenyang, Liaoning 110016 (China)

    2010-02-15

    The biosorption of Cu(II) onto chestnut shell, a residue of the food processing industry, in a batch adsorber has been studied. Equilibrium isotherms, kinetic data, and thermodynamic parameters have been evaluated. Equilibrium data agreed well with Langmuir isotherm and Redlich-Peterson isotherm models. The adsorption capacity of chestnut shell for Cu(II) was determined with the Langmuir model and was found to be 12.56 mg g{sup -1} at 293 K. The kinetic data were found to follow the pseudo-second-order model. Intra-particle diffusion is not the sole rate-controlling factor. Gibbs free energy was spontaneous for all interactions, and the adsorption process exhibited exothermic enthalpy values. Chestnut shell was shown to be a promising biosorbent for Cu(II) removal from aqueous solutions.

  4. Synthesis and Structural Study of Sr2CuO3+δ Superconductor under High Pressure

    Institute of Scientific and Technical Information of China (English)

    LIU Qing-Qing; WANG Fu-Ren; LI Feng-Ying; CHEN Liang-Chen; YU Ri-Cheng; JIN Chang-Qing; LI Yan-Chun; LIU Jing

    2008-01-01

    A single-phase Sr2CuO3+δ superconductor is synthesized under high temperature and high pressure, in which oxygen atoms only partially occupy the apical sites next to the CuO2 planes and act as hole-dopants. The superconducting transition temperature with Tcmax = 75 K is achieved in the material. Structure analysis from x-ray powder diffraction data show that this material crystallizes into a K2NiF4 structure with tetragonal unit cell of α = 3.795(3) (A) and c = 12.507(1) (A). Energy-dispersive synchrotron x-ray-diffraction studies at ambient are performed on powder samples of St2CuO3+δ in a diamond-anvil cell at pressure up to 35 GPa. Anisotropic compressibility is found. Pressure-induced isostructural phase transition might exist as revealed by the discontinuous change of crystal cell volume V with pressure.

  5. Adsorption of L-Alanine on Cu(111) Studied by Scanning Tunnelling Microscopy

    Institute of Scientific and Technical Information of China (English)

    GE Si-Ping; L(U) Chao; ZHAO Ru-Guang

    2006-01-01

    The adsorption of L-alanine on Cu(111)surface is studied by means of scanning tunnelling microscopy under ultra-high Vacuum conditions.The results show that the adsorbates are chemisorbed on the surface,and can form a two-dimensional gas phase,chain phase and solid phase,depending on deposition rate and amount.The adsorbed molecules can be imaged as individual protrusions and parallel chains in gas and chain phases respectively.It is also found that alanine can form(2×2)superstructure on Cu(111)and copper step facet to directions in solid phase.On the basis of our scanning tunnelling microscopic images,a model js proposed for the Cu(111)(2×2)-alanine superstructure.In the model,we point out the close link between -direction hydrogen bond chains with the same direction copper step faceting.

  6. ESR spectroscopic investigations of the radiation-grafting of fluoropolymers

    Energy Technology Data Exchange (ETDEWEB)

    Huebner, G.; Roduner, E. [University of Stuttgart (Germany); Brack, H.P.; Scherer, G.G. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    ESR spectroscopic investigations have clarified the influence of several preparative parameters on the reaction rates and yields obtained in the radiation-grafting method used at PSI to prepare proton-conducting polymer membranes. At a given irradiation dose, a higher concentration of reactive radical sites was detected in ETFE films than in FEP films. This higher concentration explains the higher grafting levels and rates of the ETFE films found in our previous grafting experiments. Taken together, the in-situ ESR experiments and grafting experiments show that the rates of disappearance of radical species and grafting rates and final grafting levels depend strongly on the reaction temperature and the oxygen content of the system. Average grafted chain lengths were calculated to contain about 1,000 monomer units. (author) 2 figs., 4 refs.

  7. Electronic structure calculations of ESR parameters of melanin units.

    Science.gov (United States)

    Batagin-Neto, Augusto; Bronze-Uhle, Erika Soares; Graeff, Carlos Frederico de Oliveira

    2015-03-21

    Melanins represent an important class of natural pigments present in plants and animals that are currently considered to be promising materials for applications in optic and electronic devices. Despite their interesting properties, some of the basic features of melanins are not satisfactorily understood, including the origin of their intrinsic paramagnetism. A number of experiments have been performed to investigate the electron spin resonance (ESR) response of melanin derivatives, but until now, there has been no consensus regarding the real structure of the paramagnetic centers involved. In this work, we have employed electronic structure calculations to evaluate the ESR parameters of distinct melanin monomers and dimers in order to identify the possible structures associated with unpaired spins in this biopolymer. The g-factors and hyperfine constants of the cationic, anionic and radicalar structures were investigated. The results confirm the existence of at least two distinct paramagnetic centers in melanin structure, identifying the chemical species associated with them and their roles in electrical conductivity.

  8. ESR dating of teeth from northeastern Brazilian megafauna

    Energy Technology Data Exchange (ETDEWEB)

    Kinoshita, Angela [Departamento de Fisica e Matematica, FFCLRP, Universidade de Sao Paulo, 14040-901 Ribeirao Preto-SP (Brazil); Universidade Sagrado Coracao, 17011-160 Bauru-SP (Brazil); Barreto, Alcina; Alves, Rosenberg [Universidade Federal de Pernambuco, Recife-PE (Brazil); Maria Figueiredo, Ana; Eduardo de Souza Sarkis, Jorge; Dias, Marcelo L. [Instituto de Pesquisas Energeticas e Nucleares (IPEN), 05422-970 Sao Paulo-SP (Brazil); Baffa, Oswaldo [Departamento de Fisica e Matematica, FFCLRP, Universidade de Sao Paulo, 14040-901 Ribeirao Preto-SP (Brazil)], E-mail: baffa@ffclrp.usp.br

    2008-02-15

    Two Stegomastodon waringi teeth from Brazilian northeastern megafauna were dated by electron spin resonance (ESR) spectroscopy. The samples were collected in Pernambuco state, Brazil. The dating of these samples will contribute to the better knowledge of megafauna presence in this region as well as to the events associated to the extinction of these species. Additive dose method was used to evaluate the archeological dose (AD) and a non-linear relation between ESR signal amplitude and dose was obtained. The AD obtained by the exponential fitting was 120{+-}1 and 112{+-}1Gy, leading to an estimation of an age of 63{+-}8 and 60{+-}9ky for radioisotope early uptake model, 64{+-}8 and 60{+-}9ky for linear uptake and 60{+-}9ky for a combination of uptake processes.

  9. Experimental Progress in Fast Cooling in the ESR

    CERN Document Server

    Steck, Markus; Beller, Peter; Franzke, Bernhard; Nolden, Fritz

    2005-01-01

    The ESR storage ring at GSI is operated with highly charged heavy ions. Due to the high electric charge the ions interact much stronger with electromagnetic fields. Therefore both cooling methods which are applied to stored ions in the ESR, stochastic cooling and electron cooling, are more powerful than for singly charged particles. The experimental results exhibit cooling times for stochastic cooling of a few seconds. For cold ion beams, electron cooling provides cooling times which are one to two orders of magnitude smaller. The beams are cooled to beam parameters which are limited by intrabeam scattering. At small ion numbers, however, intrabeam scattering is suppressed by electron cooling, clear evidence was found that the ion beam forms a one-dimensional ordered structure, a linear chain of ions. The strengths of stochastic cooling and electron cooling are complementary and can be combined favorably. Stochastic cooling is employed for pre-cooling of hot secondary beams followed by electron cooling to pro...

  10. Study on diffusion behavior and microstructural evolution of Al/Cu bimetal interface by synchrotron X-ray radiography

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Tongmin, E-mail: tmwang@dlut.edu.cn [Key Laboratory of Materials Modification By Laser, Ion and Electron Beams (Ministry of Education), School of Material Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Cao, Fei; Zhou, Peng; Kang, Huijun; Chen, Zongning [Key Laboratory of Materials Modification By Laser, Ion and Electron Beams (Ministry of Education), School of Material Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Fu, Yanan; Xiao, Tiqiao [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Huang, Wanxia; Yuan, Qingxi [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100039 (China)

    2014-12-15

    Highlights: • Interface diffusion of Al/Cu bimetal was directly observed with X-ray radiography. • Three growth stages and four transition zones around Al/Cu interface were identified. • Concentration variations were analyzed through the gray level evolution of images. • Diffusion coefficients of Cu in Al were calculated from concentration variations. - Abstract: Synchrotron X-ray radiography was used to in situ study the interface diffusion behavior and microstructural evolution during the melting and solidification of Al/Cu bimetal. During the solidification, the dendritic growth around the interface is mainly dominated by the variation of Cu concentration and thermal field. Four transition zones of solute profile around the interface were identified to be I (α-Al), II (Al + Al{sub 2}Cu), III (Al{sub 2}Cu) and IV (AlCu, Al{sub 3}Cu{sub 4} and Al{sub 2}Cu{sub 3}), respectively. During the melting, the concentration variations of Al and Cu around the interface were quantitatively analyzed through the extraction of gray level from sequenced X-ray images. The diffusion coefficients of Cu in liquid Al were calculated from the known concentration variations by an inverse method based on Fick’s second law. The diffusion coefficients of Cu in Al were found to follow linear Arrhenius equation dependencies with the pre-exponential factor of 2.83 × 10{sup −5} m{sup 2} s{sup −1} and the activation energy of 96.0 kJ mol{sup −1} in a temperature range of 893–970 K.

  11. ESR detection procedure of irradiated papaya containing high water content

    Science.gov (United States)

    Kikuchi, Masahiro; Shimoyama, Yuhei; Ukai, Mitsuko; Kobayashi, Yasuhiko

    2011-05-01

    ESR signals were recorded from irradiated papaya at liquid nitrogen temperature (77 K), and freeze-dried irradiated papaya at room temperature (295 K). Two side peaks from the flesh at the liquid nitrogen temperature indicated a linear dose response for 3-14 days after the γ-irradiation. The line shapes recorded from the freeze-dried specimens were sharper than those at liquid nitrogen temperature.

  12. ESR detection procedure of irradiated papaya containing high water content

    Energy Technology Data Exchange (ETDEWEB)

    Kikuchi, Masahiro, E-mail: kikuchi.masahiro@jaea.go.j [Quantum Beam Science Directorate, Japan Atomic Energy Agency, 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Shimoyama, Yuhei [Quantum Beam Science Directorate, Japan Atomic Energy Agency, 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan); Ukai, Mitsuko [Hokkaido University of Education, 1-2 Hachiman-cho, Hakodate, Hokkaido 040-8567 (Japan); Kobayashi, Yasuhiko [Quantum Beam Science Directorate, Japan Atomic Energy Agency, 1233 Watanuki-machi, Takasaki, Gunma 370-1292 (Japan)

    2011-05-15

    ESR signals were recorded from irradiated papaya at liquid nitrogen temperature (77 K), and freeze-dried irradiated papaya at room temperature (295 K). Two side peaks from the flesh at the liquid nitrogen temperature indicated a linear dose response for 3-14 days after the {gamma}-irradiation. The line shapes recorded from the freeze-dried specimens were sharper than those at liquid nitrogen temperature.

  13. Covellite CuS as a matrix for "invisible" gold: X-ray spectroscopic study of the chemical state of Cu and Au in synthetic minerals

    Science.gov (United States)

    Tagirov, Boris R.; Trigub, Alexander L.; Kvashnina, Kristina O.; Shiryaev, Andrey A.; Chareev, Dmitriy A.; Nickolsky, Maximilian S.; Abramova, Vera D.; Kovalchuk, Elena V.

    2016-10-01

    Geological processes leading to formation of sulfide ores often result in precipitation of gold-bearing sulfides which can contain high concentrations of this metal in ;invisible; (or ;refractory;) state. Covellite (CuS) is ubiquitous mineral in many types of the ore deposits, and numerous studies of the natural ores show that covellite can contain high concentrations of Au. At the same time, Au-bearing covellite withstands cooling in contrast to other minerals of the Cu-Fe-S system (chalcocite, bornite, chalcopyrite), where Au exsolves at low temperatures. This makes covellite a convenient model system for investigation of the chemical state (local environment and valence) of the ;invisible; Au in copper-sulfide ores (copper-porphyry, epithermal, volcanogenic massive sulfide, SEDEX deposits). Therefore, it is necessary to determine the location of Au in the covellite matrix as it will have important implications for the methods employed by mineral processing industry to extract Au from sulfide ores. Here we investigate the chemical state of Cu and Au in synthetic covellite containing up to 0.3 wt.% of Au in the ;invisible; state. The covellite crystals were synthesized by hydrothermal and salt flux methods. Formation of the chemically bound Au is indicated by strong dependence of the concentration of Au in covellite on the sulfur fugacity in the experimental system (d(log C(Au))/d(log f(S2)) ∼ 0.65). The Au concentration of covellite grows with increasing temperature from 400 to 450 °C, whereas further temperature increase to 500 °C has only minor effect. The synthesized minerals were studied using X-ray absorption fine structure spectroscopy (XAFS) in high energy resolution fluorescence detection (HERFD) mode. Ab initio simulations of Cu K edge XANES spectra show that the Cu oxidation state in two structural positions in covellite (tetrahedral and triangular coordination with S atoms) is identical: the total loss of electronic charge for the 3d shell is ∼0

  14. Studies on the Coordination Polymer of Copper Electropolyurushiol

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The coordination polymer of copper electropolyurushiol(EPU-Cu2+) was obtained by the reaction of copper chloride with electropolyurushiol (EPU) in an isopropyl alcohol solution. The properties of EPU-Cu2+ were studied by means of ESR, FTIR, XPS, DMTA and TG-DTA.The results of AES show that the content of Cu2+ was 8.63%. The electric resistances of EPUCu2+ and EPU were determined to be 9.37×1010Ω and 7.90×1010Ω respectively. It was also ascertained that in EPU-Cu2+ each Cu2+ is coordinated with two units hydroxyl in EPU, making the EPU-Cu2+ cross-link further. As a result, the title polymer exhibits an insolubility in most of organic solutions, a higher glass transition temperature and thermal resistance.

  15. An interatomic potential for studying CuZr bulk metallic glasses

    DEFF Research Database (Denmark)

    Paduraru, Anca; Kenoufi, Abdel; Bailey, Nicholas

    2007-01-01

    -scale deformation events and may furthermore involve localization through formation of shear bands. In this paper, an Effective Medium Theory (EMT) potential optimized for modeling the mechanical and thermodynamic properties of CuZr bulk metallic glass is studied. The late transition metals crystallizing in close...

  16. Effect of simulator motion cuing on steering control performance : Driving simulator study

    NARCIS (Netherlands)

    Feenstra, P.J.; Horst, A.R.A. van der; Grácio, B.J.C.; Wentink, M.

    2010-01-01

    The goal of the present study was to explore how simulator motion cuing affects the driver's control performance of a car. Steering behavior was used as a measure of control performance. The experimental task was a slalom maneuver in which the velocity of the car was limited to 70 km/h. Subjective

  17. A study of quenched CuZnAl Alloy by positron

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    Cu-23at.%Zn-11at.% Al alloyhas been studied bypositron annihilation technique.It is shown that the defects in the alloy induced by quenching from the temperature above α-transformation are basically monovacancies, instead of other forms of defects.

  18. Scanning-tunneling-microscopy studies of the S-induced reconstruction of Cu(100)

    DEFF Research Database (Denmark)

    Colaianni, Maria Loredana; Chorkendorff, Ib

    1994-01-01

    This study utilizes Auger-electron spectroscopy, low-energy electron diffraction, and scanning tunneling microscopy (STM) to examine sulfur coverages above theta(S)=0.25 on the Cu(100) surface. These large sulfur coverages are observed to induce a restructuring of the copper surface through the r...

  19. Kinetics of island diffusion on Cu(111) and Ag(111) studied with variable-temperature STM

    NARCIS (Netherlands)

    Schlößer, Dietmar C.; Morgenstern, Karina; Verheij, Laurens K.; Rosenfeld, G.; Besenbacher, Flemming; Comsa, George

    2000-01-01

    The diffusion of vacancy islands on Cu(111) and Ag(111) and of adatom islands on Ag(111) has been studied using fast scanning STM. Diffusion of atoms along island edges (periphery diffusion) is much more effective in contributing to the diffusion of the islands than diffusion of atoms via terrace

  20. A comparative study on Pb(II), Cd(II), Cu(II)

    African Journals Online (AJOL)

    user

    Co(II) while it decreased in the presence of Cu(II) in the studied range of concentration variation. Maximum Pb(II) .... size variation in the range of 2 to 10 nm. ...... Zinc-bromine Battery, Lead-acid and Lithium Batteries, Arsenic Remediation from.

  1. Self-directed learning skills in air-traffic control; A cued retrospective reporting study

    NARCIS (Netherlands)

    Van Meeuwen, Ludo; Brand-Gruwel, Saskia; Van Merriënboer, Jeroen; Kirschner, Paul A.; De Bock, Jeano

    2011-01-01

    Van Meeuwen, L. W., Brand-Gruwel, S., Van Merriënboer, J. J. G., Kirschner, P. A., & De Bock, J. J. P. R. (2010, May). Self-directed learning skills in air-traffic control; A cued retrospective reporting study. Presented at the Scandinavian Workshop on Applied Eye-tracking. Lund, Sweden.

  2. Carboxylate-bridged Cu(II) coordination polymeric complex: synthesis, crystal structure, magnetic properties, DNA binding and electrochemical studies

    Indian Academy of Sciences (India)

    SABITHAKALA THATITURI; BHARGAVI GOVINDUGARI; VENKATA RAMANA REDDY CHITTIREDDY

    2017-08-01

    A novel water-soluble carboxylate-bridged copper(II) coordination polymer,Cu-BIG was formed by the reaction of Cu(ClO₄)₂ ·6H₂O and tridentate benzimidazole-glycine conjugate ligand, 2-((1H-benzimidazol- 2-yl)methylamino) acetic acid, BIGH and its structure has been determined by IR, UV, powder XRD, VSM, CV, TGA, DTA, EPR and single crystal X-ray diffraction. Crystallographic studies indicate it to be a coordination polymer with P¯ı Space group. The asymmetric unit of complex contains two Cu(II) ions with elongated square pyramid geometry.The axial positions of theCu(II) atoms are occupied by the carbonyl oxygen of the carboxylate group with the bond distances Cu(1)–O(5)axial , 2.28Å, and Cu(2)–O(2)axial , 2.26Å. The two Cu(II) are connected through the carboxylic group present in BIGH, which provides electron mobilisation in the molecule and hence results in the soft ferromagnetic polymer. An in vitro antibacterial activity study of BIGH and Cu-BIG showed moderate activity against Bacillus subtilis. The DNA binding studies showed the interaction of Cu-BIG with CT-DNA.

  3. Structural, EPR, optical and Raman studies of Nd2O3:Cu2+ nanophosphors.

    Science.gov (United States)

    Umesh, B; Eraiah, B; Nagabhushana, H; Sharma, S C; Nagabhushana, B M; Shivakumara, C; Rao, J L; Chakradhar, R P S

    2012-08-01

    Nanocrystalline Nd(2)O(3):Cu(2+) (2mol %) phosphors have been prepared by a low temperature solution combustion technique. Powder X-ray diffraction (PXRD) results confirm that hexagonal A-type Nd(2)O(3) (900°C, 3h) and the lattice parameters have been evaluated by Rietveld refinement. Surface morphology of as-formed and Cu(2+) doped Nd(2)O(3) phosphors show that the particles are irregular in shape and porous in nature. TEM results also confirm the nature and size of the particles. The EPR spectrum exhibits two resonance signals with effective g values at g(ǀǀ)≈2.12 and g(⊥)≈2.04. The g values indicate that the site symmetry of Cu(2+) ions is octahedral symmetry with elongated tetragonal distortion. Raman studies show major peaks, which are assigned, to F(g) and combination of A(g)+E(g) modes. It is observed that the Raman peaks and intensity have been reduced in Cu(2+) doped samples. UV-Visible absorption spectra exhibit a strong and broad absorption band at ∼240nm. Further, the absorption peak shifts to ∼14nm in Cu(2+) doped samples. The optical band gap is estimated to be 5.28eV for Cu doped Nd(2)O(3) nanoparticles which are higher than the bulk Nd(2)O(3) (4.7eV). This can be attributed to the quantum confinement effect of the nanoparticles. Copyright © 2012 Elsevier B.V. All rights reserved.

  4. Constraining the period of hydrocarbon accumulation by fluid inclusion, molecular biomarker and ESR dating techniques: A case study from the Tazhong 45 well, Tarim Basin%塔中45井油气藏成藏期的厘定

    Institute of Scientific and Technical Information of China (English)

    张鼐; 张宝收; 赵瑞华; 杨晓光; 南燕云; 赵澄雨

    2012-01-01

    在塔中45井的萤石中发现两期烃包裹体:第Ⅰ期烃包裹体为产于萤石中的发黄色弱荧光的原生液相烃包裹体,沿萤石生长纹分布,与萤石同生;第Ⅱ期烃包裹体为产于萤石中的发蓝白色强荧光的次生气液相烃包裹体,分布在萤石的愈合缝中,晚于萤石形成.烃包裹体组分分析和赋存矿物测年结果表明,第Ⅰ期油来源于中上奥陶统,是一期成熟油的充注;第Ⅱ期油应形成于喜马拉雅期,主要来源于高成熟的寒武系烃源岩,是由寒武系原油裂解后再一次大规模轻质油侵入而形成的,第Ⅱ期是奥陶系萤石层段的油气藏主要成藏期.%Two distinct generations of hydrocarbon inclusions are found in vein fluorite from the Ordovician carbonate reservoirs in the Tazhong 45 well, Tarim Basin. The first generation of inclusions is characterized by weak yellow fluorescence, liquid phase, and distribution along the fluorite growth bands. The second generation of inclusions is of strong white fluorescence, gas-liquid phase, and occurrence in the suture lines of fluorite. Based on an integrated investigation of trapping temperature, formation water salinity, molecular compositions of the aqueous and petroleum fluid inclusions, and isotope and ESR dating of the host minerals, it is concluded that: (1) the fluorite vein was formed by a deep fluoride-rich fluid brought into the Ordovician carbonate formation through deep faults during the Permian; (2) the fluoride-rich fluid was a low temperature hydrothermal fluid probably generated from an acidic magmatic activity in the region during the Late Hercynian; (3) the charge of mature liquid hydrocarbons from the Middle-Upper Ordovician source rock was concomitant with the fluorite crystallization in the Tazhong 45 carbonate reservoirs, which resulted in the formation of the first generation of petroleum inclusions in the fluorite growth bands; (4) the second generation of hydrocarbon inclusions

  5. EPR and optical absorption study of Cu{sup 2+} doped lithium sulphate monohydrate (LSMH) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Sheela, K. Juliet; Subramanian, P., E-mail: psubramaniangri@gmail.com [Department of Physics, Gandhigram Rural Institute-Deemed University, Gandhigram, Dindigul-624302, Tamilnadu (India); Krishnan, S. Radha; Shanmugam, V. M. [CSIR-Central Electrochemical Research Institute, Karaikudi-63006, Tamilnadu (India)

    2016-05-23

    EPR study of Cu{sup 2+} doped NLO active Lithium Sulphate monohydrate (Li{sub 2}SO{sub 4.}H{sub 2}O) single crystals were grown successfully by slow evaporation method at room temperature. The principal values of g and A tensors indicate existence of orthorhombic symmetry around the Cu{sup 2+} ion. From the direction cosines of g and A tensors, the locations of Cu{sup 2+} in the lattice have been identified as interstitial site. Optical absorption confirms the rhombic symmetry and ground state wave function of the Cu{sup 2+} ion in a lattice as d{sub x2-y2}.

  6. Kinetic study of the annealing reactions in Cu-Ni-Fe alloys; Estudio cinetico de las reacciones de recocido en aleaciones de Cu-Ni-Fe

    Energy Technology Data Exchange (ETDEWEB)

    Donoso, E.

    2014-07-01

    The thermal aging of a Cu-45Ni-4Fe, Cu-34Ni-11Fe and Cu-33Ni-22Fe alloys tempered from 1173 K have been studied from Differential Scanning Calorimetry (DSC) and microhardness measurements. The analysis of DSC curves, from room temperature to 950 K, shows the presence of one exothermic reaction associated to the formation of FeNi{sub 3} phase nucleating from a modulate structure, and one endothermic peak attributed to dissolution of this phase. Kinetic parameters were obtained using the usual Avrami-Erofeev equation, modified Kissinger method and integrated kinetic functions. Microhardness measurements confirmed the formation and dissolution of the FeNi{sub 3} phase. (Author)

  7. A comparative study of Cu(II)-assisted vs Cu(II)-free chalcogenation on benzyl and 2°/3°-cycloalkyl moieties

    Indian Academy of Sciences (India)

    Santosh K Sahoo

    2015-12-01

    A relative synthetic strategy toward intermolecular oxidative C−Chalcogen bond formation of alkanes has been illustrated using both Cu(II) assisted Cu(II) free conditions. This led to construction of a comparative study of hydrocarbon benzylic and 2°/3°-cycloalkyl moieties bond sulfenylation and selenation protocol by the chalcogen sources, particularly sulfur and selenium, respectively. In addition, this protocol disclosed the auspicious formation of sp3C−S coupling products over leading the sp3C−N coupling products by using 2-mercaptobenzothiazole (MBT) substrates.

  8. The mining chemical Polydadmac is cytotoxic but does not interfere with Cu-induced toxicity in Atlantic salmon hepatocytes.

    Science.gov (United States)

    Olsvik, Pål A; Berntssen, Marc H G; Waagbø, Rune; Hevrøy, Ernst; Søfteland, Liv

    2015-12-25

    To speed up sedimentation of suspended solids the mining industry often uses flocculent chemicals. In this work we evaluated the cytotoxic and mechanistic effects of Polydadmac, and its basic component Dadmac, on fish cells. Dose-response effects, temperature-dependent effects and impact of Dadmac and Polydadmac on Cu toxicity were studied in Atlantic salmon hepatocytes. We used the xCELLigence system and the MTT test for cytotoxicity assessments, and real-time RT-qPCR to evaluate molecular effects. The results showed a cytotoxic response for Polydadmac but not for Dadmac. Elevated levels of Cu were cytotoxic. Moderately cytotoxic concentrations of Cu (100-1000 μM) induced significant responses on the transcription of a number of genes in the cells, i.e. cuznsod (sod1), cat, mnsod (sod2), nfe2l2, hmox1, mta, casp3b, casp6, bclx, cyp1a, ccs, atp7a, app, mmp13, esr1, ppara, fads2 and ptgs2. A factorial PLS regression model for mnsod transcription showed a synergistic effect between Dadmac and Cu exposure in the cells, indicating an interaction effect between Dadmac and Cu on mitochondrial ROS scavenging. No interaction effects were seen for Polydadmac on Cu toxicity. In conclusion, Polydadmac is cytotoxic at elevated concentrations but appears to have low ability to interfere with Cu toxicity in Atlantic salmon liver cells.

  9. 三核铜(Ⅰ/Ⅱ)配合物[Cu(en)_2]·[Cu(pht)_2]_2的合成、晶体结构及与DNA相互作用的研究%Synthesis, Crystal Structure and DNA-binding Studies of Cu(Ⅰ/Ⅱ) Complex [Cu(en)_2].[Cu(pht)_2]_2

    Institute of Scientific and Technical Information of China (English)

    胡喜兰; 施鹏飞; 许兴友; 栾艳; 陈建平; 王大奇

    2009-01-01

    报道了多核铜配合物[Cu(en)_2]·[Cu(pht)_2]_2(Hpht:苯妥英,即5,5-二苯基-2,2-咪唑烷酮;en:乙二胺)的溶剂热合成、晶体结构及其与DNA的相互作用.该晶体属三斜晶系,P_1~-空间群,晶胞参数:a=0.8453(2)nm,b=1.1878(3)nm,c=1.5674(4)nm,a=101.197(3)°,β=97.690(3)°,γ=103.283(3)°,V=1.476(6)nm~3,D_c=1.480 g/cm~3,Z=1,F(000)=679,μ=1.139nm~(-1),R_1=0.0402,wR_2=0.0962[I>2σ(Ⅰ)],GOF=1.035.XPS和X射线单晶衍射数据显示该配合物分子由混价铜组成,包括两个一价铜和一个二价铜,其中每个Cu(Ⅰ)分别与两个苯妥英配体提供的氮原子配位,N-Cu(Ⅰ)-N的夹角为177°,一个Cu(Ⅱ)与六个配位原子配位(CuN_4O_2),形成一个稍变形八面体结构.配合物与DNA相互作用研究表明,该配合物主要是以插入方式与小牛胸腺DNA结合.%The title complex [Cu(en)_2]·[Cu(pht)_2]_2 (Hpht=5,5-diphenylhydantoin, i.e. phenytoin; en=ethylenediamine) was synthesized solvent-thermally and characterized by elemental analysis, IR, TG-DSC and single-crystal X-ray diffraction. The crystal of the complex belongs to triclinic system with space group P_1~-, a=0.8453(2) nm, b= 1.1878(3) nm, c= 1.5674(4) nm, α= 101.197(3)°,β=97.690(3)°, γ= 103.283(3)°,V= 1.476(6) nm~3, D_c= 1.480 g/cm~3, Z= 1, F(000)=679,μ= 1.139 mm~(-1), final R [I>2σ(I)]: R_1 = 0.0402, wR_2=0.0962 and GOF= 1.035. The XPS and single-crystal X-ray diffraction data demonstrated that the complex was mix-charged, including two Cu(Ⅰ) and one Cu(Ⅱ) metal centers. The Cu(Ⅰ) atom was coordi-nated by two nitrogen atoms from two phenytoin ligands, and the angle of N-Cu(Ⅰ)-N was 177°. The Cu(Ⅱ) atom adopted a distorted CuN_4O_2 octahedron configuration when coordinated with two en and two phenytoin ligands. The interaction between the complex and CT-DNA was studied by UV spectroscopy, fluorescence spectroscopy and viscosity measurements, which confirmed the intercalation effect of the com-plex into DNA double helix.

  10. Ear advantage and attention: an ERP study of auditory cued attention.

    Science.gov (United States)

    Ofek, E; Pratt, H

    2004-03-01

    The neurophysiological manifestations of left ear advantage to tonal stimuli and its interaction with attention have rarely been studied. Cued attention is a behavioral paradigm to assess the behavioral benefits and costs of allocating attention. In this task a cue predicts the location of a subsequent target to which the subject responds. In most cases the cue correctly predicts the target (valid cues) but at times it does not (invalid cues). Cued attention is a spatial paradigm with stimuli presented to either side. The objectives of this study were: (1) to find the neurophysiological correlates of the ear advantage phenomenon and (2) to assess the interaction of the stimulated side (right vs. left ear advantage) with attention, in a cued attention task. Significant effects on event-related potentials (ERPs) in the cued attention task indicated left ear and right hemisphere advantage. Effects were mostly confined to the right hemisphere. The results indicate interactions among left ear advantage, attention and dominant hand utilization. Ear advantage and attention may involve the same neural mechanisms. In spite of the left ear advantage effect on ERP components, hand dominance determines the final behavioral results (reaction times).

  11. Study on the adsorption of Cu(II) by folic acid functionalized magnetic graphene oxide

    Science.gov (United States)

    Wang, Cuicui; Ge, Heyi; Zhao, Yueying; Liu, Shanshan; Zou, Yu; Zhang, Wenbo

    2017-02-01

    The folic acid functionalized magnetic graphene oxide (FA-mGO) as a new adsorbent has been synthesized in this work for the elimination of Cu(II) from waste water. The as-prepared FA-mGO was tested by SEM, TEM, particle size analyzer, FTIR, XRD, Roman spectrum, TGA and magnetic properties analyzer. Some factors, such as adsorbent dose, pH, contact time, initial concentration of adsorbate and temperature were explored. The results showed that the FA-mGO had the better adsorption performance than mGO. After 40 min, the adsorption equilibrium could be reached. Furthermore, the adsorption property obeyed the pseudo-second order kinetic model and the Temkin isotherms well. The maximum adsorption capacity was 283.29 mg/g for Cu(II) from Pseudo-second-order model at pH=5 and 318 K. The chelation action between FA and Cu(II) along with electrostatic incorporation between GO and Cu(II) determined the favourable adsorption property. Besides, thermodynamic studies results ∆G00, ∆S0>0 suggested that the adsorption mechanism was an endothermic and spontaneous process essentially. Finally, desorption and reusability studies imply FA-mGO has an excellent reproducibility and is benefit to environmental protection and resource conservation.

  12. Synthesis, XRD, TEM, EPR, and Optical Absorption Spectral Studies of CuZnO2 Nanocompound

    Directory of Open Access Journals (Sweden)

    T. Ravindra Reddy

    2014-01-01

    Full Text Available Synthesis of nano CuZnO2 compound is carried out by thermal decomposition method. The crystalline phase of the material is characterized by XRD. The calculated unit cell constants are a=3.1 Å and c=3.4786 Å and are of tetragonal structure. The unit cell constants are different from wurtzite (hexagonal which indicate that a nanocompound is formed. Further TEM images reveal that the metal ion is in tetragonal structure with oxygen ligands. The prepared CuZnO2 is then characterized for crystallite size analysis by employing transmission electron microscopy (TEM. The size is found to be 100 nm. Uniform bright rings are noticed in the TEM picture suggesting that the nanocrystals have preferential instead of random orientations. The selected-area electron diffraction (SAED pattern clearly indicates the formation of CuO-ZnO nanocompound. The nature of bonding is studied by electron paramagnetic resonance (EPR. The covalency character is about 0.74 and thus the compound is electrically less conductive. Optical absorption spectral studies suggest that Cu(II is placed in tetragonal elongation crystal field. The spin-orbit coupling constant, λ, is calculated using the EPR and optical absorption spectral results suggest some covalent bond between metal and ligand. Near infrared (NIR spectra are due to hydroxyl and water fundamentals.

  13. EPR and optical absorption studies of Cu 2+ doped bis (glycinato) Mg (II) monohydrate single crystals

    Science.gov (United States)

    Dwivedi, Prashant; kripal, Ram

    2010-02-01

    Electron paramagnetic resonance (EPR) study of Cu 2+ doped bis (glycinato) Mg (II) monohydrate single crystals is carried out at room temperature. Copper enters the lattice substitutionally and is trapped at two magnetically inequivalent sites. The observed spectra are fitted to a spin-Hamiltonian of rhombic symmetry with the following values of the parameters: Cu 2+ (I), gx = 2.1577 ± 0.0002, gy = 2.2018 ± 0.0002, gz = 2.3259 ± 0.0002, Ax = (87 ± 2) × 10 -4 cm -1, Ay = (107 ± 2) × 10 -4 cm -1, Az = (141 ± 2) × 10 -4 cm -1; Cu 2+ (II), gx = 2.1108 ± 0.0002, gy = 2.1622 ± 0.0002, gz = 2.2971 ± 0.0002, Ax = (69 ± 2) × 10 -4 cm -1, Ay = (117 ± 2) × 10 -4 cm -1and Az = (134 ± 2) × 10 -4 cm -1. The ground state wave function of the Cu 2+ ion in this lattice is evaluated to be predominantly | x2 - y2lbond2 . The g-factor anisotropy is also calculated and compared with the experimental value. With the help of the optical absorption study, the nature of bonding in the complex is discussed.

  14. Density functional theory study of O-H and C-H bond scission of methanol catalyzed by a chemisorbed oxygen layer on Cu(111)

    Science.gov (United States)

    Li, Jonathan; Zhou, Guangwen

    2016-04-01

    Using the density-functional theory within the generalized gradient approximation, we have studied the partial oxidation of methanol on a Cu(111) surface covered with a chemisorbed oxygen layer that resembles a Cu2O layer. Adsorption energies and geometries were computed for methanol, methoxy, hydroxymethyl and formaldehyde on both clean Cu(111) and Cu2O/Cu(111) and electronic structures were computed for the reaction intermediates on Cu2O/Cu(111). We also calculated the energy barrier for partial oxidation of methanol to formaldehyde on Cu2O/Cu(111). These results show that the Cu2O monolayer slightly lowers the stability of each of the surface adsorbates and the oxygen strongly promotes hydrogen dissociation by lowering the energy barrier of methanol decomposition and causing the spontaneous dissociation of methanol into methoxy.

  15. K-edge EXAFS and XANES studies of Cu in CdTe thin-film solar cells

    Science.gov (United States)

    Liu, Xiangxin; Gupta, Akhlesh; Compaan, Alvin D.; Leyarovska, Nadia; Terry, Jeff

    2002-03-01

    Copper has been identified as a very important dopant element in CdTe thin-film solar cells. Cu is a deep acceptor in CdTe and is commonly used to obtain a heavily doped, low resistance back contact to polycrystalline CdTe. Cu also helps to increase the open circuit voltage of the cell. However, Cu is also a fast diffuser in CdTe, especially along grain boundaries, and can accumulate at the CdS/CdTe junction. It is suspected of leading to cell performance degradation in some cases. The present study is designed to help identify the lattice location of the Cu in CdTe. Cu K-edge, x-ray absorption (XAS) measurements were conducted on Cu in thin films of CdTe. Experiments were performed at the MR-CAT beamline at the Advanced Photon Source. The 3 mm CdTe layers were magnetron sputtered onto fused silica substrates. Some films were diffused with Cu from a 200 Å layer of evaporated Cu. XAS spectra were collected in fluorescence geometry with a 13 elements Ge detector. Quantitative fluorescence spectroscopy measurements were also performed. Details of the Cu environment and possible changes with time will be reported.

  16. Photocatalytic degradation of methylene blue by TiO2-Cu thin films: theoretical and experimental study.

    Science.gov (United States)

    Carvalho, Hudson W P; Batista, Ana P L; Hammer, Peter; Ramalho, Teodorico C

    2010-12-15

    In this work the effect of doping concentration and depth profile of Cu atoms on the photocatalytic and surface properties of TiO(2) films were studied. TiO(2) films of about 200 nm thickness were deposited on glass substrates on which a thin Cu layer (5 nm) was deposited. The films were annealed during 1s to 100°C and 400°C, followed by chemical etching of the Cu film. The grazing incidence X-ray fluorescence measurements showed a thermal induced migration of Cu atoms to depths between 7 and 31 nm. The X-ray photoelectron spectroscopy analysis detected the presence of TiO(2), Cu(2)O and Cu(0) phases and an increasing Cu content with the annealing temperature. The change of the surface properties was monitored by the increasing red-shift and absorption of the ultraviolet-visible spectra. Contact angle measurements revealed the formation of a highly hydrophilic surface for the film having a medium Cu concentration. For this sample photocatalytic assays, performed by methylene blue discoloration, show the highest activity. The proposed mechanism of the catalytic effect, taking place on Ti/Cu sites, is supported by results obtained by theoretical calculations.

  17. Estrogen Receptor Gene (ESR1 PVUII and XBAI Polymorphisms and Bone Mineral Density in Kazakh Women

    Directory of Open Access Journals (Sweden)

    Ainur Akilzhanova

    2014-01-01

    Full Text Available Introduction: Osteoporosis is a common age-related disease that is strongly influenced by genetics. Polymorphisms of the estrogen receptor gene alpha (ESR1 are consistently been associated with bone mineral density (BMD and fracture. The purpose of this investigation was to evaluate potential association of single nucleotide polymorphism (SNP variants of the ESR1 gene and bone mineral density (BMD of the lumbar spine in Kazakh women. Methods: 140 female participants in Pavlodar clinics with varying measures of BMD. We are examined the potential association of BMD with 2 SNPs from the ESR1 gene (rs2234693 [PvuII] and rs9340799 [XbaI]. Genotyping of the PvuII and XbaI polymorphisms was performed by direct sequencing of the gene fragments containing restriction sites with the identification of genotypes PP, Pp, pp and XX, Xx, xx respectively. Results: Unadjusted mean BMD values ranged from 1.14±0.14 g/cm2 in Caucasian women and 1.03±0.11 g/cm2 in Asian women. The association between PvuII polymorphism and BMD at the lumbar spine (p= 0.04 for PP=Pp=pp was statistically significant in all women. The XbaI polymorphism was not associated with BMD at lumbar spine. The relative risk for low BMD was higher for the marker PvuII (RR=1.51 than for the marker XbaI (RR=1.35. Conclusion: The PvuII polymorphism had a weak association with lumbar spine BMD.  XbaI polymorphism was unlikely to be a predictor of lumbar spine BMD in Kazakh women. These conclusions could help to determine the genetic risk factors for osteoporosis; however, further studies on the association between gene polymorphisms and BMD are needed including larger numbers of participants and genes to clarify genetic risks.

  18. Adsorption of Cu(II) to Bacillus subtilis: A pH-dependent EXAFS and thermodynamic modelling study

    Science.gov (United States)

    Moon, Ellen M.; Peacock, Caroline L.

    2011-11-01

    Bacteria are very efficient sorbents of trace metals, and their abundance in a wide variety of natural aqueous systems means biosorption plays an important role in the biogeochemical cycling of many elements. We measured the adsorption of Cu(II) to Bacillus subtilis as a function of pH and surface loading. Adsorption edge and XAS experiments were performed at high bacteria-to-metal ratio, analogous to Cu uptake in natural geologic and aqueous environments. We report significant Cu adsorption to B. subtilis across the entire pH range studied (pH ˜2-7), with adsorption increasing with pH to a maximum at pH ˜6. We determine directly for the first time that Cu adsorbs to B. subtilis as a (CuO 5H n) n-8 monodentate, inner-sphere surface complex involving carboxyl surface functional groups. This Cu-carboxyl complex is able to account for the observed Cu adsorption across the entire pH range studied. Having determined the molecular adsorption mechanism of Cu to B. subtilis, we have developed a new thermodynamic surface complexation model for Cu adsorption that is informed by and consistent with EXAFS results. We model the surface electrostatics using the 1p K basic Stern approximation. We fit our adsorption data to the formation of a monodentate, inner-sphere tbnd RCOOCu + surface complex. In agreement with previous studies, this work indicates that in order to accurately predict the fate and mobility of Cu in complex biogeochemical systems, we must incorporate the formation of Cu-bacteria surface complexes in reactive transport models. To this end, this work recommends log K tbnd RCOOCu + = 7.13 for geologic and aqueous systems with generally high B. subtilis-to-metal ratio.

  19. Kinetic and thermodynamic studies on biosorption of Cu(Ⅱ) by chemically modified orange peel

    Institute of Scientific and Technical Information of China (English)

    FENG Ning-chuan; GUO Xue-yi; LIANG Sha

    2009-01-01

    Cu(H) biosorption by orange peel that was chemically modified with sodium hydroxide and calcium chloride was investigated. The effects of temperature, contact time, initial concentration of metal ions and pH on the biosorption of Cu( II) ions were assessed. Thermodynamic parameters including change of free energy(△G~Θ), enthalpy (△H~Θ) and entropy(△S~Θ) during the biosorption were determined. The results show that the biosorption process of Cu( II) ions by chemically treated orange peel is feasible, spontaneous and exothermic under studied conditions. Equilibrium is well described by Langmuir equation with the maximum biosorption capacity(q_m) for Cu( II) as 72.73 mg/g and kinetics is found to fit pseudo-second order type biosorption kinetics. As the temperature increases from 16 ℃ to 60 ℃, copper biosorption decreases. The loaded biosorbent is regenerated using HC1 solution for repeatedly use for five times with little loss of biosorption capacity.

  20. The Cubesat mission to study Solar Particles (CuSP), an interplanetary cubesat

    Science.gov (United States)

    Christian, E. R.; Desai, M. I.; Allegrini, F.; Jahn, J. M.; Kanekal, S.; Livi, S. A.; Murphy, N.; Ogasawara, K.; Paschalidis, N.

    2015-12-01

    The Cubesat mission to study Solar Particles (CuSP) is a funded 6U interplanetary cubesat scheduled to fly on the EM-1 SLS launch in 2018. CuSP has three small but capable instruments from the Southwest Research Institute (SwRI), NASA Goddard Space Flight Center (GSFC), and the NASA Jet Propulsion Laboratory (JPL). Its primary scientific goal is high-cadence precise measurements of the suprathermal (ST) tail in the solar wind. The suprathermal tail is the critical bridge between the thermal solar wind plasma and the dangerous high-energy solar energetic particles. CuSP also measures the energy spectra and composition of the ~1-50 MeV/nucleon H-Fe ions that evolve from the STs and the interplanetary magnetic field that is closely coupled to the particle distributions. CuSP is a stepping-stone to future interplanetary cubesats, smallsats, and constellations for both scientific and space weather applications. The challenges for this mission and future missions will also be discussed.

  1. Cu Diffusion in Amorphous Ta2O5 Studied with a Simplified Neural Network Potential

    Science.gov (United States)

    Li, Wenwen; Ando, Yasunobu; Watanabe, Satoshi

    2017-10-01

    Understanding atomistic details of diffusion processes in amorphous structures is becoming increasingly important due to the recent advances in various information and energy devices. Atomistic simulations based on the density functional theory (DFT) represent a powerful approach; however, the development of a method characterized by both high reliability and computational efficiency remains a challenge. In this study, a simple neural network (NN) interatomic potential is constructed from the results of DFT simulations to investigate the diffusion of a single Cu atom in amorphous Ta2O5. The proposed technique is as accurate as the DFT in predicting hopping paths and the corresponding barrier energies in a given amorphous structure. Although the developed NN-based approach exhibited some limitations since it was constructed specifically for Cu, the obtained results showed that the NN potential was able to satisfactorily describe the Cu diffusion behavior. Thus, the Cu diffusion activation energy calculated at low temperatures (between 500 and 800 K) using kinetic Monte Carlo simulations and the NN potential matched the experimental data reasonably well.

  2. X-ray diffraction study of multiphase reverse reaction with molten CuCl and oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Marin, G.D.; Wang, Z. [Faculty of Engineering and Applied Science, University of Ontario Institute of Technology, 2000 Simcoe Street North, Oshawa, Ontario, Canada L1H 7K4 (Canada); Naterer, G.F., E-mail: greg.naterer@uoit.ca [Faculty of Engineering and Applied Science, University of Ontario Institute of Technology, 2000 Simcoe Street North, Oshawa, Ontario, Canada L1H 7K4 (Canada); Gabriel, K. [Faculty of Engineering and Applied Science, University of Ontario Institute of Technology, 2000 Simcoe Street North, Oshawa, Ontario, Canada L1H 7K4 (Canada)

    2011-09-20

    Highlights: {yields} This paper examines the reverse reactions associated with copper oxychloride decomposition in the copper-chlorine cycle of hydrogen production. {yields} Experiments are designed to disperse oxygen gas into a molten CuCl bath to study its reaction at 450-500 {sup o}C and the composition of the products is quantified with X-ray diffraction measurements. {yields} It is found that the optimal operating parameters for minimizing the reverse reaction lie in the pressure range of 1-2 bar and a temperature range of 500-525 {sup o}C. - Abstract: The thermochemical copper-chlorine (Cu-Cl) cycle for hydrogen production includes three chemical reactions of hydrolysis, decomposition and electrolysis. The decomposition of copper oxychloride for oxygen production establishes the high-temperature limit of the cycle. At 450-530 {sup o}C, copper oxychloride (Cu{sub 2}OCl{sub 2}) decomposes to produce a molten salt of cuprous chloride (CuCl, copper I chloride) and oxygen gas. Minimization of the reverse reaction and undesirable products is critical for the proper operation of the Cu-Cl cycle. This paper examines the operating conditions that disfavor the reverse reaction of the oxygen production, and the parameters that maximize the extent of the forward reaction. Experiments were designed to disperse oxygen gas into a molten CuCl bath to study its reaction at 450-500 {sup o}C. The composition of the products was quantified with X-ray diffraction measurements. Experimental results indicate that a high decomposition extent of copper oxychloride is obtained at equilibrium when the temperature is higher than 500 {sup o}C, and the oxygen pressure is below 2 bar. The thermochemistry data of the reactants and products were also determined and reported. These thermodynamic data provide a key missing gap in the understanding of the Cu-Cl cycle of thermochemical hydrogen production. The data includes the standard formation entropy, enthalpy and Gibbs free energy at

  3. LEED - IV and DFT study of the co-adsorption of chlorine and water on Cu(100)

    Science.gov (United States)

    Puisto, M.; Pussi, K.; Alatalo, M.; Hesp, D.; Dhanak, V. R.; Lucas, C. A.; Grunder, Y.

    2017-03-01

    We have studied the adsorption of water on a Cl covered Cu(100) surface using both low energy electron diffraction (LEED) experiments and density functional theory (DFT) calculations. On the Cu{100}-c(2×2)-Cl surface water is shown to form a bilayer, which is weakly bound to the surface.

  4. Study on the covalence of Cu and chemical bonding in an inorganic fullerene-like molecule, [CuCl]20[Cp*FeP5]12[Cu-(CH3CN)2+Cl-]5, by a density functional approach

    Institute of Scientific and Technical Information of China (English)

    WANG Bingwu; XU Guangxian; CHEN Zhida

    2004-01-01

    The electronic structure and chemical bonding in a recently synthesized inorganic fullerene-like molecule, {[CuCl]20[Cp*FeP5]12 [Cu(CH3CN)+2Cl-]5}, has been studied by a density functional approach. Geometrical optimization of the three basic structural units of the molecule is performed with Amsterdam Density Functional Program. The results are in agreement with the experiment. Localized MO's obtained by Boys-Foster method give a clear picture of the chemical bonding in this molecule. The reason why CuCl can react with Cp*FeP5 in solvent CH3CN to form the fullerene-like molecule is explained in terms of the soft-hard Lewis acid base theory and a new concept of covalence.

  5. Optical and other spectroscopic studies of lead, zinc bismuth borate glasses doped with CuO

    Science.gov (United States)

    Rajyasree, Ch.; Vinaya Teja, P. Michael; Murthy, K. V. R.; Krishna Rao, D.

    2011-12-01

    10MO·20Bi2O3·(70-x)B2O3·xCuO [M=Pb, Zn] with x=0, 0.4 and 0.8 (wt%) glasses were synthesized by the melt-quenching technique and were characterized using X-ray diffraction (XRD) and scanning electron microscopy (SEM) techniques. Physical parameters, like density, and spectroscopic studies (optical absorption, EPR, FTIR and photoluminescence) were used to understand the role of modifier oxide and CuO in the glass matrix. A red shift of the absorption band corresponds to 2B1g→2B2g transition of Cu2+ ions from P2 to Z4 samples and the increase of hyperfine splitting factor (A‖) from P2 to Z2 shows that with the integration of PbO by ZnO the electron density around copper ion is increased. It is also supported by the gradual increase in theoretical optical basicity values of ZnO mixed glasses, as compared to that of PbO mixed glass matrix. Reduced bismuth radicals are found in undoped and 0.4% CuO doped glasses of both the series. Analysis of the absorption and emission studies indicates that the concentration of luminescence centers of bismuth ions (Bi3+ ions in UV region) is decreased by the integration of ZnO as well as by increasing the dopant concentration. In lead series PbO4 and BiO3 units are increased from P2 to P4 and in zinc series BiO3 units are decreased from Z0 to Z4. The conductivity of the glass matrices is increased in both the series with the dopant of CuO.

  6. Biosorption of Cu(II) by immobilized microalgae using silica: kinetic, equilibrium, and thermodynamic study.

    Science.gov (United States)

    Lee, Hongkyun; Shim, Eunjung; Yun, Hyun-Shik; Park, Young-Tae; Kim, Dohyeong; Ji, Min-Kyu; Kim, Chi-Kyung; Shin, Won-Sik; Choi, Jaeyoung

    2016-01-01

    Immobilized microalgae using silica (IMS) from Micractinium reisseri KGE33 was synthesized through a sol-gel reaction. Green algal waste biomass, the residue of M. reisseri KGE33 after oil extraction, was used as the biomaterial. The adsorption of Cu(II) on IMS was tested in batch experiments with varying algal doses, pH, contact times, initial Cu(II) concentrations, and temperatures. Three types of IMSs (IMS 14, 70, and 100) were synthesized according to different algal doses. The removal efficiency of Cu(II) in the aqueous phase was in the following order: IMS 14 (77.0%)  IMS 70 (1.548 mg g(-1)) > IMS 14 (1.282 mg g(-1)). The pseudo-second-order equation fitted the kinetics data well, and the value of the second-order rate constant increased with increasing algal dose. Gibbs free energies (ΔG°) were negative within the temperature range studied, which indicates that the adsorption process was spontaneous. The negative value of enthalpy (ΔH°) again indicates the exothermic nature of the adsorption process. In addition, SEM-energy-dispersive X-ray spectroscopy (EDS), Fourier transform infrared (FT-IR), and X-ray photoelectron spectroscopy (XPS) analyses of the IMS surface reveal that the algal biomass on IMS is the main site for Cu(II) binding. This study shows that immobilized microalgae using silica, a synthesized biosorbent, can be used as a cost-effective sorbent for Cu(II) removal from the aqueous phase.

  7. Novel copper(II)-dien-imidazole/imidazolate-bridged copper(II) complexes. Crystal structure of [Cu(dien)(Him)](ClO4)2 and of [(dien)Cu(mu-im)Cu(dien)](ClO4)3, a homobinuclear model for the copper(II) site of the CuZn-superoxide dismutase.

    Science.gov (United States)

    Patel, R N; Singh, Nripendra; Shukla, K K; Chauhan, U K

    2005-01-01

    The imidazolate-bridged binuclear copper(II)-copper(II) complex [(dien)Cu(mu-im)Cu(dien)](ClO(4))(3) and related mononuclear complexes [Cu(dien)(H(2)O)](ClO(4))(2), [Cu(dien)(Him)](ClO(4))(2) were synthesized with diethylenetriamine (dien) as capping ligand. The crystal structure of mononuclear [Cu(dien)(Him)](ClO(4))(2) and binuclear complex [(dien)Cu(mu-im)Cu(dien)](ClO(4))(3) have been determined by single crystal X-ray diffraction methods. The mononuclear complex [Cu(dien)(Him)](ClO(4))(2) crystallizes in the orthorhombic, Pca2(1) with a = 9.3420(9) A, b = 12.3750(9) A, c = 14.0830(9) A, beta = 90.000(7)(o) and Z = 4 and binuclear complex [(dien)Cu(mu-im)Cu(dien)](ClO(4))(3) crystallizes in the monoclinic space group P2(1)/a, with a = 15.017(7) A, b = 11.938(6) A, c = 15.386(6) A, beta = 110.30(4)(o) and Z = 4. The molecular structures show that copper(II) ions in an asymmetrically elongated octahedral coordination (type 4 + 1 + 1) and in binuclear complex Cu(1) atom has a asymmetrically elongated octahedral coordination (type type 4 + 1 + 1) and Cu(2) atom exhibits a square base pyramidal coordination (type 4 + 1). The bridging ligand (imidazolate ion, im) lies nearly on a straight line between two Cu(2+), which are separated by 5.812 A, slightly shorter than the value in copper-copper superoxide dismutase (Cu(2)-Cu(2)SOD). Magnetic measurements and electron spin resonance (ESR) spectroscopy of the binuclear complex have shown an antiferromagnetic exchange interaction. From pH-dependent cyclic voltametry (CV) and electronic spectroscopic studies the complex has been found to be stable over a wide pH range (7.75-12.50).

  8. The guanine cation radical: investigation of deprotonation states by ESR and DFT.

    Science.gov (United States)

    Adhikary, Amitava; Kumar, Anil; Becker, David; Sevilla, Michael D

    2006-11-30

    This work reports ESR studies that identify the favored site of deprotonation of the guanine cation radical (G*+) in an aqueous medium at 77 K. Using ESR and UV-visible spectroscopy, one-electron oxidized guanine is investigated in frozen aqueous D2O solutions of 2'-deoxyguanosine (dGuo) at low temperatures at various pHs at which the guanine cation radical, G*+ (pH 3-5), singly deprotonated species, G(-H)* (pH 7-9), and doubly deprotonated species, G(-2H)*- (pH > 11), are found. C-8-deuteration of dGuo to give 8-D-dGuo removes the major proton hyperfine coupling at C-8. This isolates the anisotropic nitrogen couplings for each of the three species and aids our analyses. These anisotropic nitrogen couplings were assigned to specific nitrogen sites by use of 15N-substituted derivatives at N1, N2, and N3 atoms in dGuo. Both ESR and UV-visible spectra are reported for each of the species: G*+, G(-H)*, and G(-2H)*-. The experimental anisotropic ESR hyperfine couplings are compared to those obtained from DFT calculations for the various tautomers of G(-H)*. Using the B3LYP/6-31G(d) method, the geometries and energies of G*+ and its singly deprotonated state in its two tautomeric forms, G(N1-H)* and G(N2-H)*, were investigated. In a nonhydrated state, G(N2-H)* is found to be more stable than G(N1-H)*, but on hydration with seven water molecules G(N1-H)* is found to be more stable than G(N2-H)*. The theoretically calculated hyperfine coupling constants (HFCCs) of G*+, G(N1-H)*, and G(-2H)*- match the experimentally observed HFCCs best on hydration with seven or more waters. For G(-2H)*-, the hyperfine coupling constant (HFCC) at the exocyclic nitrogen atom (N2) is especially sensitive to the number of hydrating water molecules; good agreement with experiment is not obtained until nine or 10 waters of hydration are included.

  9. Synthesis, characterization, thermal study and biological evaluation of Cu(II), Co(II), Ni(II) and Zn(II) complexes of Schiff base ligand containing thiazole moiety

    Science.gov (United States)

    Nagesh, G. Y.; Mahendra Raj, K.; Mruthyunjayaswamy, B. H. M.

    2015-01-01

    The novel Schiff base ligand 2-(4-(dimethylamino)benzylidene)-N-(4-phenylthiazol-2-yl)hydrazinecarboxamide (L) obtained by the condensation of N-(4-phenylthiazol-2-yl)hydrazinecarboxamide with 4-dimethylaminobenzaldehyde and its newly synthesized Cu(II), Co(II), Ni(II) and Zn(II) complexes have been characterized by microanalysis, magnetic susceptibility, molar conductance, thermal analysis, FT-IR, 1H NMR, ESI mass, UV-Visible, ESR spectroscopy and powder X-ray diffraction data. The newly synthesized ligand behaves as a bidentate ON donor. The IR results confirmed the bidentate binding of the ligand involving oxygen atom of amide carbonyl and azomethine nitrogen. 1H NMR spectral data of the ligand (L) and its Zn(II) complex agreed well with the proposed structures. In order to evaluate the effect of antimicrobial activity of metal ions upon chelation, the newly synthesized ligand and its metal complexes were screened for their antibacterial and antifungal activities by minimum inhibitory concentration (MIC) method. The DNA cleavage activities were studied using plasmid DNA pBR322 as a target molecule by agarose gel electrophoresis method. The brine shrimp bioassay was also carried out to study the in vitro cytotoxicity properties of all the compounds against Artemia salina. Furthermore, the antioxidant activity of the ligand (L) and its metal complexes were determined in vitro by reduction of 1,1-diphenyl-2-picryl hydrazyl (DPPH), the ligand exhibited potent in vitro - antioxidant activity than its metal complexes.

  10. 1-Phenyl-1-propyne on Cu(111): TOFMS TPD, XPS, UPS, and 2PPE Studies.

    Science.gov (United States)

    Sohn, Youngku; Wei, Wei; White, John M

    2007-11-20

    The bonding properties of 1-phenyl-1-propyne (PP, C6H5CCCH3) on Cu(111) at 100 K have been studied using temperature-programmed desorption (TPD), and X-ray, ultraviolet, and two-photon photoemission spectroscopies (XPS, UPS, and 2PPE). In TPD, there is no evidence for dissociation. Multilayer desorption occurs at 187 K, and monolayer desorption occurs at 320 (83.5 kJ/mol) and 390 K (102.4 kJ/mol), with the latter dominating. Based on the calibrated C(1s) XPS, the saturation monolayer coverage is one PP per four surface Cu atoms. The broad and asymmetric C(1s) intensity profile of the monolayer can be resolved into three symmetric components, with peaks at 283.6, 284.5, and 285.2 eV and intensities of 2:6:1, respectively. These are attributed, respectively, to acetylenic carbons bound to Cu, phenyl, and methyl carbons. The monolayer valence band ultraviolet photoemission spectrum profile contains four resonances attributable to PP perturbed by interactions with the Cu(111) substrate. With the exception of the highest occupied molecular orbital (HOMO) that is shifted by 0.4 eV, these are uniformly shifted by 1 eV further from the Fermi level for the multilayer. Calculated electron density plots of the occupied orbitals coupled with UPS profiles suggest a spectator role for the phenyl group and bonding to Cu via the acetylenic carbons. The adsorption of 1.0 monolayer (ML) of PP on Cu(111) lowers the work function by 0.85 eV. Using 2PPE, two unoccupied orbitals were identified at 1.0 (U1*-LUMO) and 0.6 eV (U2*-image state) below the vacuum level. A chemisorption model consistent with these spectroscopic results and the major chemisorption peak in TPD involve di-sigma-bonding of the acetylenic carbons to a pair of second-nearest neighbor surface Cu atoms (cross-bridge).

  11. Atomistic study of crack propagation and dislocation emission in Cu-Ni multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Clinedinst, J.; Farkas, D. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States). Dept. of Materials Science and Engineering

    1997-09-01

    The authors present atomistic simulations of the crack tip configuration in multilayered Cu-Ni materials. The simulations were carried out using molecular statics and EAM potentials. The atomistic structure of the interface was studied first for a totally coherent structure. Cracks were simulated near a Griffith condition in different possible configurations of the crack plane and front with respect to the axis of the layers. Results show that interface effects predominantly control the mechanical behavior of the system studied.

  12. Polymorphisms in the LPL and CETP Genes and Haplotype in the ESR1 Gene Are Associated with Metabolic Syndrome in Women from Southwestern Mexico.

    Science.gov (United States)

    Cahua-Pablo, José Ángel; Cruz, Miguel; Méndez-Palacios, Abigail; Antúnez-Ortiz, Diana Lizzete; Vences-Velázquez, Amalia; del Carmen Alarcón-Romero, Luz; Parra, Esteban Juan; Tello-Flores, Vianet Argelia; Leyva-Vázquez, Marco Antonio; Valladares-Salgado, Adán; Pérez-Macedonio, Claudia Paola; Flores-Alfaro, Eugenia

    2015-09-08

    Metabolic syndrome (MetS) is a combination of metabolic disorders associated with an increased risk for cardiovascular disease (CVD). Studies in women reported associations between polymorphisms in ESR1, LPL and CETP genes and MetS. Our aim was to evaluate the association between variants in ESR1, LPL and CETP genes with MetS and its components. Four hundred and eighty women were analyzed, anthropometric features and biochemical profiles were evaluated, and genotyping was performed by real-time PCR. We found an association with elevated glucose levels (odds ratio (OR) = 2.9; p = 0.013) in carrying the AA genotype of rs1884051 in the ESR1 gene compared with the GG genotype, and the CC genotype of rs328 in the LPL gene was associated with MetS compared to the CG or GG genotype (OR = 2.8; p = 0.04). Moreover, the GA genotype of rs708272 in the CETP gene is associated with MetS compared to the GG or AA genotype (OR = 1.8; p = 0.006). In addition the ACTCCG haplotype in the ESR1 gene is associated with a decrease in the risk of MetS (OR = 0.02; p < 0.001). In conclusion, our results show the involvement of the variants of ESR1, LPL and CETP genes in metabolic events related to MetS or some of its features.

  13. Polymorphisms in the LPL and CETP Genes and Haplotype in the ESR1 Gene Are Associated with Metabolic Syndrome in Women from Southwestern Mexico

    Directory of Open Access Journals (Sweden)

    José Ángel Cahua-Pablo

    2015-09-01

    Full Text Available Metabolic syndrome (MetS is a combination of metabolic disorders associated with an increased risk for cardiovascular disease (CVD. Studies in women reported associations between polymorphisms in ESR1, LPL and CETP genes and MetS. Our aim was to evaluate the association between variants in ESR1, LPL and CETP genes with MetS and its components. Four hundred and eighty women were analyzed, anthropometric features and biochemical profiles were evaluated, and genotyping was performed by real-time PCR. We found an association with elevated glucose levels (odds ratio (OR = 2.9; p = 0.013 in carrying the AA genotype of rs1884051 in the ESR1 gene compared with the GG genotype, and the CC genotype of rs328 in the LPL gene was associated with MetS compared to the CG or GG genotype (OR = 2.8; p = 0.04. Moreover, the GA genotype of rs708272 in the CETP gene is associated with MetS compared to the GG or AA genotype (OR = 1.8; p = 0.006. In addition the ACTCCG haplotype in the ESR1 gene is associated with a decrease in the risk of MetS (OR = 0.02; p < 0.001. In conclusion, our results show the involvement of the variants of ESR1, LPL and CETP genes in metabolic events related to MetS or some of its features.

  14. Polymorphisms in the LPL and CETP Genes and Haplotype in the ESR1 Gene Are Associated with Metabolic Syndrome in Women from Southwestern Mexico

    Science.gov (United States)

    Cahua-Pablo, José Ángel; Cruz, Miguel; Méndez-Palacios, Abigail; Antúnez-Ortiz, Diana Lizzete; Vences-Velázquez, Amalia; del Carmen Alarcón-Romero, Luz; Parra, Esteban Juan; Tello-Flores, Vianet Argelia; Leyva-Vázquez, Marco Antonio; Valladares-Salgado, Adán; Pérez-Macedonio, Claudia Paola; Flores-Alfaro, Eugenia

    2015-01-01

    Metabolic syndrome (MetS) is a combination of metabolic disorders associated with an increased risk for cardiovascular disease (CVD). Studies in women reported associations between polymorphisms in ESR1, LPL and CETP genes and MetS. Our aim was to evaluate the association between variants in ESR1, LPL and CETP genes with MetS and its components. Four hundred and eighty women were analyzed, anthropometric features and biochemical profiles were evaluated, and genotyping was performed by real-time PCR. We found an association with elevated glucose levels (odds ratio (OR) = 2.9; p = 0.013) in carrying the AA genotype of rs1884051 in the ESR1 gene compared with the GG genotype, and the CC genotype of rs328 in the LPL gene was associated with MetS compared to the CG or GG genotype (OR = 2.8; p = 0.04). Moreover, the GA genotype of rs708272 in the CETP gene is associated with MetS compared to the GG or AA genotype (OR = 1.8; p = 0.006). In addition the ACTCCG haplotype in the ESR1 gene is associated with a decrease in the risk of MetS (OR = 0.02; p < 0.001). In conclusion, our results show the involvement of the variants of ESR1, LPL and CETP genes in metabolic events related to MetS or some of its features. PMID:26370976

  15. Diffusion within α-CuI studied using ab initio molecular dynamics simulations

    Science.gov (United States)

    Mohn, Chris E.; Stølen, Svein; Hull, Stephen

    2009-08-01

    The structure and dynamics of superionic α-CuI are studied in detail by means of ab initio Born-Oppenheimer molecular dynamics simulations. The extreme cation disorder and a soft immobile face centred cubic sublattice are evident from the highly diffuse atomic density profiles. The Cu-Cu pair distribution function and distribution of Cu-I-Cu bond angles possess distinct peaks at 2.6 Å and 60° respectively, which are markedly lower than the values expected from the average cationic density, pointing to the presence of pronounced short-range copper-copper correlations. Comparison with lattice static calculations shows that these correlations and the marked shift in the cationic density profile in the lang111rang directions are associated with a locally distorted cation sublattice, and that the movements within the tetrahedral cavities involve rapid jumps into and out of shallow basins on the system potential energy surface. On average, the iodines are surrounded by three coppers within their first coordination shell, with the fourth copper being located in a transition zone between two neighbouring iodine cavities. However, time-resolved analysis reveals that the local structure actually involves a mixture of threefold-, fourfold- and fivefold-coordinated iodines. Examination of the ionic trajectories shows that the copper ions jump rapidly to nearest neighbouring tetrahedral cavities (aligned in the lang100rang directions) following a markedly curved trajectory and often involving short-lived (~1 ps) interstitial positions. The nature of the correlated diffusion underlying the unusually high fraction of coppers with short residence time can be attributed to the presence of a large number of 'unsuccessful' jumps and the likelihood of cooperative motion of pairs of coppers. The calculated diffusion coefficient at 750 K, DCu = 2.8 × 10-5 cm2 s-1, is in excellent agreement with that found experimentally.

  16. First-principles study of defect formation in the photovoltaic semiconductors Cu2GeS3 and Cu2ZnGeS4 for comparison with Cu2SnS3, Cu2ZnSnS4, and CuInSe2

    Science.gov (United States)

    Nishihara, Hironori; Maeda, Tsuyoshi; Shigemi, Akio; Wada, Takahiro

    2017-04-01

    The formation energies of neutral Cu, Ge, and S vacancies in monoclinic Cu2GeS3 and those of neutral Cu, Zn, Ge, and S vacancies in kesterite-type Cu2ZnGeS4 were evaluated by first-principles pseudopotential calculations using plane-wave basis functions. The calculations were performed at typical points in a schematic ternary phase diagram of a Cu-Ge-S system for Cu2GeS3 and in Cu-(Zn1/2Ge1/2)-S and Cu29S16-ZnS-GeS2 pseudoternary phase diagrams for Cu2ZnGeS4. The results have been compared with those for Cu2SnS3, Cu2ZnSnS4, and CuInSe2 calculated with the same version of the CASTEP program code. The results indicate that Cu vacancies are easily formed in Cu2GeS3 and Cu2ZnGeS4 under the Cu-poor condition as in the cases of Cu2SnS3, Cu2ZnSnS4, and CuInSe2, suggesting that Cu2GeS3 and Cu2ZnGeS4 are also preferable p-type absorber materials for thin-film solar cells. Desirable preparation conditions of these thin films for photovoltaic application are discussed using the calculated formation energies of antisite defects.

  17. Study of CO2 Hydrogenation to Methanol over Cu-V/γ-Al2O3 Catalyst

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The effect of vanadium addition to Cu/γ-Al2O3 catalyst used in the hydrogenation of CO2 to produce methanol was studied. It was found that the catalytic performance of the Cu-based catalyst improved after V addition. The influence of reaction temperature, space velocity and the molar ratio of H2 to CO2 on the performance of 12%Cu-6%V/γ-Al2Oa catalyst were also studied. The results indicated that the best conditions for reaction were as follows: 240 ℃, 3600 h-1 and a molar ratio of H2 to CO2 the dispersion of the supported CuO species, which resulted in the enhanced catalytic performance of Cu-V/γ-Al2O3 binary catalyst.

  18. Photocatalytic degradation of methylene blue by TiO{sub 2}-Cu thin films: Theoretical and experimental study

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Hudson W.P., E-mail: hudsonwpc@yahoo.com.br [Unesp - Univ. Estadual Paulista, Institute of Chemistry, 14801-970 Araraquara-SP (Brazil); Batista, Ana P.L. [University of Sao Paulo, Institute of Chemistry, 05508-000 Sao Paulo-SP (Brazil); Hammer, Peter [Unesp - Univ. Estadual Paulista, Institute of Chemistry, 14801-970 Araraquara-SP (Brazil); Ramalho, Teodorico C. [University Federal of Lavras, Chemistry Department, 37200-000 Lavras-MG (Brazil)

    2010-12-15

    Research highlights: {yields} The depth and surface Cu dopant concentration can be modulated by thermal treatment of TiO{sub 2}. {yields} H{sub 2}O{sub 2} can be degraded by TiO{sub 2} electron/hole pair as well as by Cu metallic and ionic species, trough of a Like-Fenton mechanism. {yields} The colorant degradation occurs due successive hydoxylations. - Abstract: In this work the effect of doping concentration and depth profile of Cu atoms on the photocatalytic and surface properties of TiO{sub 2} films were studied. TiO{sub 2} films of about 200 nm thickness were deposited on glass substrates on which a thin Cu layer (5 nm) was deposited. The films were annealed during 1 s to 100 deg. C and 400 deg. C, followed by chemical etching of the Cu film. The grazing incidence X-ray fluorescence measurements showed a thermal induced migration of Cu atoms to depths between 7 and 31 nm. The X-ray photoelectron spectroscopy analysis detected the presence of TiO{sub 2}, Cu{sub 2}O and Cu{sup 0} phases and an increasing Cu content with the annealing temperature. The change of the surface properties was monitored by the increasing red-shift and absorption of the ultraviolet-visible spectra. Contact angle measurements revealed the formation of a highly hydrophilic surface for the film having a medium Cu concentration. For this sample photocatalytic assays, performed by methylene blue discoloration, show the highest activity. The proposed mechanism of the catalytic effect, taking place on Ti/Cu sites, is supported by results obtained by theoretical calculations.

  19. Studies on the interaction between 9-fluorenylmethyl chloroformate and Fe3+ and Cu2+ ions: Spectroscopic and theoretical calculation approach

    Science.gov (United States)

    Gu, Zhenyan; Lei, Wu; Shi, Wenyan; Hao, Qingli; Si, Weimeng; Xia, Xifeng; Wang, Fengxiang

    2014-11-01

    The interaction between 9-fluorenylmethyl chloroformate (FMOC-Cl) and Fe3+ and Cu2+ ions was investigated using fluorescence, UV/Vis absorption spectroscopies and theoretical calculation. The optical property of FMOC-Cl was studied in detail in absence and presence of various transition metal ions with particular affinity to Fe3+ and Cu2+ ions. With the fluorescence characteristic band centered at 307 and 315 nm for FMOC-Cl, the introduction of Fe3+ or Cu2+ ions leads to the fluorescence quenching of FMOC-Cl with different shift and intensities of two fluorescent bands. It allows us to differentiate between FMOC-Cl and Fe3+ and Cu2+ ions interaction behavior. The study on fluorescent kinetics confirms that the fluorescence quenching of FMOC-Cl with Fe3+ and Cu2+ ions is based on the formation of non-fluorescent material, that is, static quenching. Further analyses of bond lengths, Mulliken atomic charges and the frontier orbital compositions for FMOC-Cl and its complexes with Fe3+ and Cu2+ ions were carried out. The theoretical calculations prove the fluorescence quenching originates from the formation of coordination bonds between the oxygen atom of the carbonyl group of FMOC-Cl and Fe3+ and Cu2+ ions. The commercially available FMOC-Cl can be used as excellent fluorescent probe toward Fe3+ and Cu2+ ions with high sensitivity.

  20. Association of ESR1 gene tagging SNPs with breast cancer risk

    Science.gov (United States)

    Dunning, Alison M.; Healey, Catherine S.; Baynes, Caroline; Maia, Ana-Teresa; Scollen, Serena; Vega, Ana; Rodríguez, Raquel; Barbosa-Morais, Nuno L.; Ponder, Bruce A.J.; Low, Yen-Ling; Bingham, Sheila; Haiman, Christopher A.; Le Marchand, Loic; Broeks, Annegien; Schmidt, Marjanka K.; Hopper, John; Southey, Melissa; Beckmann, Matthias W.; Fasching, Peter A.; Peto, Julian; Johnson, Nichola; Bojesen, Stig E.; Nordestgaard, Børge; Milne, Roger L.; Benitez, Javier; Hamann, Ute; Ko, Yon; Schmutzler, Rita K.; Burwinkel, Barbara; Schürmann, Peter; Dörk, Thilo; Heikkinen, Tuomas; Nevanlinna, Heli; Lindblom, Annika; Margolin, Sara; Mannermaa, Arto; Kosma, Veli-Matti; Chen, Xiaoqing; Spurdle, Amanda; Change-Claude, Jenny; Flesch-Janys, Dieter; Couch, Fergus J.; Olson, Janet E.; Severi, Gianluca; Baglietto, Laura; Børresen-Dale, Anne-Lise; Kristensen, Vessela; Hunter, David J.; Hankinson, Susan E.; Devilee, Peter; Vreeswijk, Maaike; Lissowska, Jolanta; Brinton, Louise; Liu, Jianjun; Hall, Per; Kang, Daehee; Yoo, Keun-Young; Shen, Chen-Yang; Yu, Jyh-Cherng; Anton-Culver, Hoda; Ziogoas, Argyrios; Sigurdson, Alice; Struewing, Jeff; Easton, Douglas F.; Garcia-Closas, Montserrat; Humphreys, Manjeet K.; Morrison, Jonathan; Pharoah, Paul D.P.; Pooley, Karen A.; Chenevix-Trench, Georgia

    2009-01-01

    We have conducted a three-stage, comprehensive single nucleotide polymorphism (SNP)-tagging association study of ESR1 gene variants (SNPs) in more than 55 000 breast cancer cases and controls from studies within the Breast Cancer Association Consortium (BCAC). No large risks or highly significant associations were revealed. SNP rs3020314, tagging a region of ESR1 intron 4, is associated with an increase in breast cancer susceptibility with a dominant mode of action in European populations. Carriers of the c-allele have an odds ratio (OR) of 1.05 [95% Confidence Intervals (CI) 1.02–1.09] relative to t-allele homozygotes, P = 0.004. There is significant heterogeneity between studies, P = 0.002. The increased risk appears largely confined to oestrogen receptor-positive tumour risk. The region tagged by SNP rs3020314 contains sequence that is more highly conserved across mammalian species than the rest of intron 4, and it may subtly alter the ratio of two mRNA splice forms. PMID:19126777

  1. The effect of Cu(2+) chelation on the direct photolysis of oxytetracycline: A study assisted by spectroscopy analysis and DFT calculation.

    Science.gov (United States)

    Jin, Xin; Qiu, Shanshan; Wu, Ke; Jia, Mingyun; Wang, Fang; Gu, Chenggang; Zhang, Aiqian; Jiang, Xin

    2016-07-01

    The extensive usage of OTC and Cu(2+) in livestock and poultry industry caused high residues in natural environment. Co-contamination of OTC and Cu(2+) was a considerable environmental problem in surface waters. In this study, Cu(2+) mediated direct photolysis of OTC was studied. Cu(2+) chelating with OTC was found to greatly inhibit OTC photodegradation. To reveal the chelation mechanism of OTC-Cu complexes, multiple methods including UV-Vis absorption spectra, Infrared (IR) spectra, mass spectroscopy, and density functional theoretical (DFT) modeling were performed. Four OTC-Cu complexes were proposed. Cu(2+) preferably bond to O11O12 site with the binding constants logK = 8.19 and 7.86 for CuHL+ and CuL±, respectively. The second chelating site was suggested to be O2O3 with the binding constants of logK = 4.41 and 4.62 for Cu2HL3+ and Cu2L2+, respectively. The suppressed quantum yield of OTC by Cu2+ chelation was accused for their intra-/inter-molecular electron transfer, by which the energy in activated states was distributed. The occurrence of electron transfer between BCD ring and A ring also from BCD ring to Cu was evidenced by the TD-DFT result only for the OTC-Cu complexes. Besides, the cyclic voltammetry measurement also suggested one OTC-Cu(II)/OTC-Cu(I) redox couple. These results suggested that the persistence of OTC in environmental surface waters will probably be underestimated for neglecting the chelating effect of Cu2+. The photolysis quantum yield of OTC-Cu complexes, as well as the specific molar absorption constants, the equilibrium binding constants of Cu2+ with OTC could contribute to more accurate kinetic models of OTC. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. File list: Oth.Oth.05.ESR1.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Oth.Oth.05.ESR1.AllCell hg19 TFs and others ESR1 Others SRX371435,SRX371448,SRX3714...1434,SRX371427,SRX371443,SRX371442,SRX371444,SRX371439,SRX371436,SRX371428,SRX371449,SRX371445 http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/assembled/Oth.Oth.05.ESR1.AllCell.bed ...

  3. File list: Oth.Oth.50.ESR1.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Oth.Oth.50.ESR1.AllCell hg19 TFs and others ESR1 Others SRX371441,SRX371429,SRX3714...1435,SRX371436,SRX371449,SRX371427,SRX371433,SRX371428,SRX371444,SRX371445,SRX371431,SRX371448 http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/assembled/Oth.Oth.50.ESR1.AllCell.bed ...

  4. File list: Oth.Oth.20.ESR1.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Oth.Oth.20.ESR1.AllCell hg19 TFs and others ESR1 Others SRX371441,SRX371429,SRX3714...1435,SRX371436,SRX371449,SRX371427,SRX371433,SRX371428,SRX371444,SRX371445,SRX371431,SRX371448 http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/assembled/Oth.Oth.20.ESR1.AllCell.bed ...

  5. File list: Oth.Oth.10.ESR1.AllCell [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Oth.Oth.10.ESR1.AllCell hg19 TFs and others ESR1 Others SRX371448,SRX371441,SRX3714...1427,SRX371443,SRX371442,SRX371444,SRX371435,SRX371439,SRX371436,SRX371449,SRX371445,SRX371428 http://dbarchive.biosciencedbc.jp/kyushu-u/hg19/assembled/Oth.Oth.10.ESR1.AllCell.bed ...

  6. Antiferromagnetic spin correlation and superconductivity in La2-xSrxCuO4: Cu NQR study

    Science.gov (United States)

    Kitaoka, Y.; Ohsugi, S.; Ishida, K.; Asayama, K.

    1990-09-01

    We have measured the nuclear spin-lattice relaxation time T1 of 63Cu in La2- xSrxCuO4 in the concentration range of x = 0.075-0.15 approaching the magnetic phase boundary around x = 0.05. ( T1T) -1 is found to be markedly enhanced with decreasing Sr content and temperature due to the development of the AF spin correlation among Cu spins. It is shown that ( T1T) -1 follows a T-dependence of the form C/( T+θ) associated with the Curie-Weiss law of the staggered susceptibility χQ( T) at the zone boundary ( Q = ( π/ α, π/ α)). An important finding is that the Weiss temperature θ is decreased from 75 K (x = 0.15) to 20 K (x = 0.07 5) with decreasing Sr content, which causes the large enhancement of ( T1T) -1 and accompanies the decreases of Tc, becoming 0 K at θ = 0 K for x = 0.05, whereas the Curie constant, C, slightly increases.

  7. Creation of Cu2O@TiO2 composite photocatalysts with p-n heterojunctions formed on exposed Cu2O facets, their energy band alignment study, and their enhanced photocatalytic activity under illumination with visible light.

    Science.gov (United States)

    Liu, Lingmei; Yang, Weiyi; Sun, Wuzhu; Li, Qi; Shang, Jian Ku

    2015-01-28

    The creation of photocatalysts with controlled facets has become an important approach to enhance their activity. However, how the formation of heterojunctions on exposed facets could affect their photocatalytic performance ranking had not yet been investigated. In this study, Cu2O@TiO2 core-shell structures were created, and Cu2O/TiO2 p-n heterojunctions were formed on various exposed facets of Cu2O cubes, Cu2O cuboctahedra, and Cu2O octahedra, respectively. These Cu2O@TiO2 polyhedra demonstrated an enhanced photocatalytic degradation effect on Methylene Blue (MB) and 4-nitrophenol (4-NP) under visible light illumination, because of the enhanced charge carrier separation by the formation of Cu2O@TiO2 p-n heterojunctions. It was further found that their photocatalytic performance was also facet-dependent as pure Cu2O polyhedra, while the photocatalytic performance ranking of these Cu2O@TiO2 polyhedra was different with that of their corresponding Cu2O polyhedron cores. By the combination of optical property measurement and XPS analysis, the energy band alignments of these Cu2O@TiO2 polyhedra were determined, which demonstrated that Cu2O@TiO2 octahedra had the highest band offset for the separation of charge carriers. Thus, the charge-carrier-separation-driven force in Cu2O@TiO2 polyhedra was different from their corresponding Cu2O polyhedron cores, which resulted in their different surface photovoltage spectrum (SPS) responses and different photocatalytic performance rankings.

  8. Detection of gamma-irradiated peanuts by ESR spectroscopy and GC analysis of hydrocarbons

    Science.gov (United States)

    Ming Li, Wei; Li, An; Ming Ha, Yi; Wang, Feng; Li Zhang, Yan

    2011-03-01

    Peanuts were analyzed by electron spin resonance (ESR) spectroscopy and gas chromatography (GC) before and after gamma irradiation. Using European protocols, the validity and effectiveness of these two techniques were compared with regard to sample preparation, sample and solvent consumption and dose-response curves after irradiation. The results showed the possibility of using ESR and GC for distinguishing between irradiated and unirradiated peanuts. A radiation dose of 0.1 kGy could be detected by ESR but not by GC. The results also indicated that GC is an effective method for qualitative analysis of irradiated peanut, while ESR is suitable for the rapid detection of irradiated peanuts.

  9. Molecular Dynamics Study of Surface Anisotropy in Ag_{60} Cu_{40} Alloy at Nanoscale

    Science.gov (United States)

    Imran, Muhammad; Hussain, Fayyaz; Rashid, Muhammad; Kousar, Farhana; Javid, M. Arshad; Ullah, Hafeez; Ahmad, Ejaz; Ahmad, S. A.

    2017-03-01

    In the present study, molecular dynamics simulation has been performed to investigate the anisotropic behavior of free standing Ag_{60} Cu_{40} nanorods. We choose different orientations with various cross sections to study the dynamics of thermal behavior of Ag_{60} Cu_{40} nanorods. The system is modeled using embedded atom method potentials. The radial distribution functions are analyzed to reveal the dynamic evolution of the structural behavior of nanorods with different orientations and sample sizes. The total energy and mean square displacement is also calculated to characterize the melting phenomenon of various samples. The melting temperature of the nanorods is found to be significantly size and orientation dependent, and it increases with the increase in cross-sectional area. The nanorods with low-index crystallographic surfaces such as (110) exhibit lowest melting temperature as compared to compact surfaces (111).

  10. Stability studies of Hg implanted YBa$_{2}$Cu$_{3}$O$_{6+x}$

    CERN Document Server

    Araújo, J P; Wahl, U; Marques, J G; Alves, E; Amaral, V S; Lourenço, A A; Galindo, V; Von Papen, T; Senateur, J P; Weiss, F; Vantomme, A; Langouche, G; Melo, A A; Da Silva, M F A; Soares, J C; Sousa, J B

    1999-01-01

    High quality YBa$_{2}$Cu$_{3}$O$_{6+x}$ (YBCO) superconducting thin films were implanted with the radioactive $^{197m}$Hg (T$_{1/2}$ = 24 h) isotope to low fluences of 10$^{13}$ atoms/cm$^{2}$ and 60 keV energy. The lattice location and stability of the implanted Hg were studied combining the Perturbed Angular Correlation (PAC) and Emission Channeling (EC) techniques. We show that Hg can be introduced into the YBCO lattice by ion implantation into unique regular sites. The EC data show that Hg is located on a highly symmetric site on the YBCO lattice, while the PAC data suggests that Hg occupies the Cu(1) site. Annealing studies were performed under vacuum and O$_{2}$ atmosphere and show that Hg starts to diffuse only above 653 K.

  11. Study on the Effects of Corrosion Inhibitor According to the Functional Groups for Cu Chemical Mechanical Polishing in Neutral Environment

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sang Won; Kim, Jae Jeong [Institute of Chemical Process, Seoul National University, Seoul (Korea, Republic of)

    2015-08-15

    As the aluminum (Al) metallization process was replaced with copper (Cu), the damascene process was introduced, which required the planarization step to eliminate over-deposited Cu with Chemical Mechanical Polishing (CMP) process. In this study, the verification of the corrosion inhibitors, one of the Cu CMP slurry components, was conducted to find out the tendency regarding the carboxyl and amino functional group in neutral environment. Through the results of etch rate, removal rate, and chemical ability of corrosion inhibitors based on 1H-1,2,4-triazole as the base corrosion inhibitor, while the amine functional group presents high Cu etching ability, carboxyl functional group shows lower Cu etching ability than base-corrosion inhibitor which means that it increases passivation effect by making strong passivation layer. It implies that the corrosion inhibitor with amine functional group was proper to apply for 1st Cu CMP slurry owing to the high etch rate and with carboxyl functional group was favorable for the 2nd Cu CMP slurry due to the high Cu removal rate/dissolution rate ratio.

  12. Study of Cu-doping effects on magnetic properties of Fe-doped ZnO by first principle calculations

    Indian Academy of Sciences (India)

    A El Amiri; H Lassri; M Abid; E K Hlil

    2014-06-01

    Using ab initio calculations on Zn0.975–Fe0.025CuO ( = 0, 0.01, 0.02, 0.05), we study the variations of magnetic moments vs Cu concentration. The electronic structure is calculated by using the Korringa–Kohn–Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that the total magnetic moment and magnetic moment of Fe increase on increasing Cu content. From the density of state (DOS) analysis, we show that Cu-induced impurity bands can assure, by two mechanisms, the enhancement of Fe magnetic moment in Zn0.975–Fe0.025CuO.

  13. Studies on Electronic Structure and Magnetic Properties of an Organic Magnet with Metallic Mn2+ and Cu2+ Ions

    Institute of Scientific and Technical Information of China (English)

    YAO Jian-Guo; PENG Guang-Xiong

    2004-01-01

    The electronic structure and the magnetic properties of the non-pure organic ferromagnetic compound MnCu(pbaOH)(H2O)3 with pbaOH = 2-hydroxy-1, 3-propylenebis (oxamato) are studied by using the density-functional theory with local-spin-density approximation. The density of states, total energy, and the spin magnetic moment are calculated. The calculations reveal that the compound MnCu(pbaOH)(H20)3 has a stable metal-ferromagnetic ground state, and the spin magnetic moment per molecule is 2.208 μB, and the spin magnetic moment is mainly from Mn ion and Cu ion. An antiferromagnetic order is expected and the antiferromagnetic exchange interaction of d-electrons of Cu and Mn passes through the antiferromagnetic interaction between the adjacent C, O, and N atoms along the path linking the atoms Cu and Mn.

  14. First-Principles Study of the Role of Cu in Improving the Coercivity of Nd-Fe-B Permanent Magnets

    Science.gov (United States)

    Tatetsu, Y.; Tsuneyuki, S.; Gohda, Y.

    2016-12-01

    We study the magnetic and electronic properties of Cu-doped Nd2 Fe14 B /NdOx systems with first-principles calculations in order to understand the roles of Cu in improving the coercivity of Nd-Fe-B permanent magnets. By analyzing the formation energies of several model systems, we find that Cu prefers to be at the interface. We conclude that the Cu addition to Nd-Fe-B magnets is a practical way of not only increasing the anisotropy of Nd atoms at the interface but also of lessening the magnetic coupling between the Nd and Fe atoms. Particularly, substituting Fe at the interface of the main phase with Cu works effectively in terms of improving the magnetic anisotropy in Nd atoms. This may explain the coercivity improvements reported recently.

  15. Theoretical study on the composition location of the best glass formers in Cu-Zr amorphous alloys.

    Science.gov (United States)

    Wang, Da; Zhao, Shi-Jin; Liu, Li-Min

    2015-01-29

    This study combines the molecular dynamics (MD) simulations and first-principles approach to explain the experimental observation that the best glass formers of Cu-Zr bulk metallic glasses (BMGs) have the compositions Cu50Zr50 and Cu64Zr36. These two best glass formers are first calculated to be most abundantly composed of Cu6Zr7 and Cu8Zr5 icosahedral clusters when compared in the compositional range of CuxZr100-x (45 ≤ x ≤ 70), and then these two icosahedral clusters are calculated to have the lowest formation energy among the icosahedral clusters CuxZr13-x (3 ≤ x ≤ 10), as well as possessing some characteristics in electronic structure and chemical hardness. Through understanding the properties of specific icosahedral clusters in metallic glasses, the structural and energetic contribution to the glass-forming ability are systematically discussed.

  16. Synthesis, Spectral and Antimicrobial Studies of Some Co(II, Ni(II and Cu(II Complexes Containing 2-Thiophenecarboxaldehyde Moiety

    Directory of Open Access Journals (Sweden)

    A. P. Mishra

    2012-01-01

    Full Text Available Some new Schiff base metal complexes of Co(II, Ni(II and Cu(II derived from 3-chloro-4-fluoroaniline (HL1 and 4-fluoroaniline (HL2 with 2-thiophenecarboxaldehyde have been synthesized and characterized by elemental analysis, FT-IR, FAB-mass, molar conductance, electronic spectra, ESR and magnetic susceptibility. The complexes exhibit coordination number 4 or 6. The complexes are colored and stable in air. Analytical data revealed that all the complexes exhibited 1:2 (metal: ligand ratio. FAB-mass data show degradation pattern of the complexes. The Schiff base and metal complexes show a good activity against the bacteria; B. subtilis, E. coli and S. aureus and fungi A. niger, A. flavus and C. albicans. The antimicrobial results also indicate that the metal complexes are better antimicrobial agents as compared to the Schiff bases.

  17. Using 67Cu to study the biogeochemical cycling of copper in the northeast subarctic Pacific Ocean

    Directory of Open Access Journals (Sweden)

    David M Semeniuk

    2016-06-01

    Full Text Available Microbial copper (Cu nutrition and dissolved Cu speciation were surveyed along Line P, a coastal to open ocean transect that extends from the coast of British Columbia, Canada, to the high-nutrient-low-chlorophyll (HNLC zone of the northeast subarctic Pacific Ocean. Steady-state size fractionated Cu uptake rates and Cu:C assimilation ratios were determined at in situ Cu concentrations and speciation using a 67Cu tracer method. The cellular Cu:C ratios that we measured (~30 µmol Cu mol C-1 are similar to recent estimates using synchrotron x-ray fluorescence (SXRF, suggesting that the 67Cu method can determine in situ metabolic Cu demands. We examined how environmental changes along the Line P transect influenced Cu metabolism in the sub-microplankton community. Cellular Cu:C assimilation ratios and uptake rates were compared with net primary productivity, bacterial abundance and productivity, total dissolved Cu, Cu speciation, and a suite of other chemical and biological parameters. Total dissolved Cu concentrations ([Cu]d were within a narrow range (1.46 to 2.79 nM, and Cu was bound to a ~5-fold excess of strong ligands with conditional stability constants ( of ~1014. Free Cu2+ concentrations were low (pCu 14.4 to 15.1, and total and size fractionated net primary productivity (NPPV; µg C L-1 d-1 were negatively correlated with inorganic Cu concentrations ([Cu′]. We suggest this is due to greater Cu′ drawdown by faster growing phytoplankton populations. Using the relationship between [Cu′] drawdown and NPPV, we calculated a regional photosynthetic Cu:C drawdown export ratio between 1.5 and 15 µmol Cu mol C-1, and a mixed layer residence time (2.5 to 8 years that is similar to other independent estimates (2-12 years. Total particulate Cu uptake rates were between 22 and 125 times faster than estimates of Cu export; this is possibly mediated by rapid cellular Cu uptake and efflux by phytoplankton and bacteria or the effects of grazers and

  18. A computational study of the quantum transport properties of a Cu-CNT composite.

    Science.gov (United States)

    Ghorbani-Asl, Mahdi; Bristowe, Paul D; Koziol, Krzysztof

    2015-07-28

    The quantum transport properties of a Cu-CNT composite are studied using a non-equilibrium Green's function approach combined with the self-consistent-charge density-functional tight-binding method. The results show that the electrical conductance of the composite depends strongly on CNT density and alignment but more weakly on chirality. Alignment with the applied bias is preferred and the conductance of the composite increases as its mass density increases.

  19. A molecular dynamics study of Ni/Cu(0 0 1) interfaces

    CERN Document Server

    Jimenez-Saez, J C; Jimenez-Rodriguez, J J; Perez-Martin, A M C

    2002-01-01

    This work is focused mainly on the analysis of effects related to a lattice misfit at a metallic interface. The system studied is the Ni/Cu(0 0 1) which exhibits a misfit of 2.6%. For this structure, the adjustment between the lattice parameters of a Ni crystal layer over Cu(0 0 1) substrate is analysed. To avoid edge effects a large enough substrate is taken while the Ni crystal set on top has smaller dimensions than the substrate. We have studied structures of one, two, four and ten monolayers of Ni set on top of the Cu substrate. It is shown how the stabilisation of different interface structures on an atomic scale is achieved; especially, the type of processes that help to accomplish a gradual change in the atomic distances. The main conclusion is the anisotropy of the coupling provokes that a cubic becomes a tetragonal lattice. The rearrangement of atoms and the strain field induced by the coupling are studied in detail.

  20. Study of Cu-related Defect States in Single-crystal CdTe

    Science.gov (United States)

    Corwine, Caroline; Sites, James; Gessert, Timothy; Metzger, Wyatt; Dippo, Pat; Duda, Anna

    2003-10-01

    We have studied single-crystal CdTe using low-temperature photoluminescence (PL) in an effort to understand the effects of copper on the deep levels, as well as the effect of a bromine methanol (BrMe) etch on subsequent copper diffusion into CdTe. In present polycrystalline CdS/CdTe solar cell technology, the use of a back contact that contains Cu is necessary to produce high-efficiency cells. However, it is not generally understood why Cu is necessary for these devices to function well. In order to obtain further advances in the efficiencies of these solar cells, it is important to know how the back contact process may affect the defect states in CdTe. PL is one tool used to study defect states. However, before PL can be used effectively for polycrystalline CdTe solar cells, relevant spectral features first must be interpreted for single-crystal CdTe. All PL in this study was taken at 4.5 K. We report on PL peaks at 1.40 and 1.45 eV, which are seen only after Cu is diffused into single-crystal CdTe.

  1. The radiation chemistry of ultem at 77 K as revealed by ESR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Devasahayam, Sheila; Hill, David J.T. E-mail: hill@chemistry.uq.edu.au; Pomery, Peter J.; Whittaker, Andrew K

    2002-07-01

    Radical formation in ultem following {gamma}-radiolysis has been reassessed, and the G(R*) values at different temperatures have been determined by ESR spectroscopy. The radical assignment and radical reactivity have been re-examined by photobleaching and thermal annealing studies. Photobleachable radical anions were found to comprise {approx}40% of the total number of radicals formed on radiolysis at 77 K. Spectral subtraction methods, ESR spectral simulations, measurement of g-values and the hyperfine splitting constants were used to identify the other radical intermediates. The principal chain scission radicals are formed due to scission of the main-chain at (i) the ether linkage, (ii) the isopropylidene group and (iii) the imide ring in the main chain. The side chain methyl groups of the isopropylidine units also lose hydrogen to form methylene radicals. The five-line spectrum observed to decay in the temperature range 370-430 K, which has not been assigned previously, has been identified as being characteristic of a di-substituted benzyl radical.

  2. The radiation chemistry of ultem at 77 K as revealed by ESR spectroscopy

    Science.gov (United States)

    Devasahayam, Sheila; Hill, David J. T.; Pomery, Peter J.; Whittaker, Andrew K.

    2002-07-01

    Radical formation in ultem following γ-radiolysis has been reassessed, and the G( R*) values at different temperatures have been determined by ESR spectroscopy. The radical assignment and radical reactivity have been re-examined by photobleaching and thermal annealing studies. Photobleachable radical anions were found to comprise ≈40% of the total number of radicals formed on radiolysis at 77 K. Spectral subtraction methods, ESR spectral simulations, measurement of g-values and the hyperfine splitting constants were used to identify the other radical intermediates. The principal chain scission radicals are formed due to scission of the main-chain at (i) the ether linkage, (ii) the isopropylidene group and (iii) the imide ring in the main chain. The side chain methyl groups of the isopropylidine units also lose hydrogen to form methylene radicals. The five-line spectrum observed to decay in the temperature range 370-430 K, which has not been assigned previously, has been identified as being characteristic of a di-substituted benzyl radical.

  3. Determination of Hyperfine Splittings of Biradical Termini by Combining Biradical Trapping and Time-Resolved ESR Techniques

    Science.gov (United States)

    1993-01-01

    detection of spin-polarized short-lived biradicals has been shown to be a valuable tool in studying the-mechanisms of photochemical reactions and in the...investigation of the propoerties of biradicals . However,*some important spectroscopic features of the S species are not readily available because of...certain peculiarities of biradical ESR spectra. This difficulty can be overcome through the conservation of spin polarizatioi ,by the controlled scavenging

  4. Binding of Cu(II) ions to peptides studied by fluorescence spectroscopy and isothermal titration calorimetry.

    Science.gov (United States)

    Makowska, Joanna; Żamojć, Krzysztof; Wyrzykowski, Dariusz; Uber, Dorota; Wierzbicka, Małgorzata; Wiczk, Wiesław; Chmurzyński, Lech

    2016-01-15

    Steady-state and time-resolved fluorescence quenching measurements supported by Isothermal Titration Calorimetry (ITC) were used to study the interactions of Cu(2+) with four peptides. Two of them were taken from the N-terminal part of the FBP28 protein (formin binding protein) WW domain: Tyr-Lys-Thr-Ala-Asp-Gly-Lys-Thr-Tyr-NH2 (D9) and its mutant Tyr-Lys-Thr-Ala-Asn-Gly-Lys-Thr-Tyr-NH2 (D9_M) as well as two mutated peptides from the B3 domain of the immunoglobulin binding protein G derived from Streptococcus: Asp-Val-Ala-Thr-Tyr-Thr-NH2 (J1) and Glu-Val-Ala-Thr-Tyr-Thr-NH2 (J2). The measurements were carried out at 298.15K in 20mM 2-(N-morpholino)ethanesulfonic acid (MES) buffer solution with a pH of 6. The fluorescence of all peptides was quenched by Cu(2+) ions. The stoichiometry, conditional stability constants and thermodynamic parameters for the interactions of the Cu(2+) ions with D9 and D9_M were determined from the calorimetric data. The values of the conditional stability constants were additionally determined from fluorescence quenching measurements and compared with those obtained from calorimetric studies. There was a good correlation between data obtained from the two techniques. On the other hand, the studies revealed that J1 and J2 do not exhibit an affinity towards metal ions. The obtained results prove that fluorescence quenching experiments may be successfully used in order to determine stability constants of complexes with fluorescent ligands. Finally, based on the obtained results, the coordinating properties of the peptides towards the Cu(2+) ions are discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. A new 2 methylalanine-PVC ESR dosimeter

    Energy Technology Data Exchange (ETDEWEB)

    Rossi, Bruno T. [Departmento de Fisica e Matematica, FFCLRP-Universidade de Sao Paulo, Av. Bandeirantes, 3900, 14040-901, Ribeirao Preto-SP (Brazil); Chen, Felipe [Departmento de Fisica e Matematica, FFCLRP-Universidade de Sao Paulo, Av. Bandeirantes, 3900, 14040-901, Ribeirao Preto-SP (Brazil); Department of Radiological Health, Caja de Seguro Social, Panama City (Panama); Department of Physics, Faculty of Natural and Exact Sciences and Technology, University of Panama, Panama City (Panama); Baffa, Oswaldo [Departmento de Fisica e Matematica, FFCLRP-Universidade de Sao Paulo, Av. Bandeirantes, 3900, 14040-901, Ribeirao Preto-SP (Brazil)

    2005-02-01

    The use of polyvinyl chloride (PVC) as a binder to 2-methylalanine (2MA) dosimeters was investigated. It was recently shown by Olsson et al. (Radiat. Res. 157 (2002) 113), that 2MA is approximately 70% more sensitive than L-alanine which makes this substance a good candidate to replace alanine in ESR dosimetry. PVC is a low yield material for free radical production by ionizing radiation and a good binding material easily processed and widely available. PVC can be prepared at room temperature and mixed up to 50% in weight with 2MA to produce a pellet stable in mass and physical dimensions, in large quantities and with low background signal. Pure PVC pellet irradiated at 50 Gy gave weaker ESR signals compared to 2MA at the region of spectral interest. Spectrometer settings such as microwave power, and modulation amplitude were optimized for the measurements. This dosimeter production scheme allows the addition of Mn{sup 2+} ions for an internal reference signal, leading to a self-calibrated dosimeter (J. Radional. Nucl. Chem. 240 (1999) 215)

  6. Structural properties of iron nitride on Cu(100): An ab-initio molecular dynamics study

    KAUST Repository

    Heryadi, Dodi

    2011-01-01

    Due to their potential applications in magnetic storage devices, iron nitrides have been a subject of numerous experimental and theoretical investigations. Thin films of iron nitride have been successfully grown on different substrates. To study the structural properties of a single monolayer film of FeN we have performed an ab-initio molecular dynamics simulation of its formation on a Cu(100) substrate. The iron nitride layer formed in our simulation shows a p4gm(2x2) reconstructed surface, in agreement with experimental results. In addition to its structural properties, we are also able to determine the magnetization of this thin film. Our results show that one monolayer of iron nitride on Cu(100) is ferromagnetic with a magnetic moment of 1.67 μ B. © 2011 Materials Research Society.

  7. Study of structural and optical properties of Fe doped CuO nanoparticles

    Science.gov (United States)

    Rani, Poonam; Gupta, Ankita; Kaur, Sarabjeet; Singh, Vishal; Kumar, Sacheen; Kumar, Dinesh

    2016-05-01

    Iron doped Copper oxide nanoparticles were synthesized by the co-precipitation method at different concentration (3%, 6%, 9%) at 300-400° C with Copper Acetate and Ferric Chloride as precursors in presence of Polyethylene Glycol and Sodium Hydroxide as stabilizing agent. Effect of doping on the structural and optical properties is studied. The obtained nanoparticles were characterized by X-Ray Diffraction and UV-Visible Spectroscopy for examining the size and the band gap respectively. The X-Ray Diffraction plots confirmed the monoclinic structure of Copper oxide suggesting the Cu atoms replaced by Fe atoms and no secondary phase was detected. The indirect band gap of Fe doped CuO nanoparticles is 2.4eV and increases to 3.4eV as the concentration of dopant increases. The majority of particle size is in range 8 nm to 35.55 nm investigated by X-ray diffractometer.

  8. A simulation study of rapid solidification and crystal configuration of Cu70Ni30 alloy

    Institute of Scientific and Technical Information of China (English)

    ZHENG Caixing; LIU Rangsu; ZHOU Qunyi; TIAN Ze'an; WANG Xin; LI Qiang

    2005-01-01

    A molecular dynamics (MD) simulation study has been performed for the rapid solidification of Cu70Ni30 adopting the quantum Sutton-Chen many-body potentials. By analyzing the bond-types and the relation of atomic average energy versus temperature, it was demonstrated that as cooling rate being 2 × 1012 K/s, the Cu70Ni30 formed fcc crystal structures and freezing point was found. In addition, having analyzed the transformation of microstructures and the detail of crystal growth by using atomic trace and visual method, not only could the formation of binary disordered solid solution be showed, but also the solidification of liquid metals and the crystal growth processes could be further understood.

  9. Structures and stabilities of small Co clusters on a Cu(111) surface: A theoretical study

    Science.gov (United States)

    Huang, R. Z.; Chen, C.; Li, C. M.; Jiang, C. H.; Zhang, R. J.; Gao, Y.

    2017-10-01

    Structures and relative stabilities of small Con clusters (n = 1-12) on a Cu(111) surface are studied using molecular dynamics simulations. It is shown that the supported clusters are all in two-dimensional island structures of the edges forming square microfacets (A step) and/or triangular microfacets (B step) with the substrate. For non-magic-number clusters, the lowest energy structures are the ones of the edges with more A steps and the most unstable structures are the ones of the edges with only A steps or B steps due to the lattice mismatch of the Con/Cu(111) system. Magic number clusters are truncated triangular or elongated shapes with a closed atomic shell and maximum nearest-neighbor bonds. In addition, the anomalous mobility is found for Co3 and Co6 clusters in the diffusion processes of these clusters. The concerted translation and rotation movements are responsible for their special diffusion behaviors.

  10. Molecular dynamics study of the ternary Cu50Ti25Zr25 bulk glass forming alloy

    Directory of Open Access Journals (Sweden)

    Celtek M.

    2011-05-01

    Full Text Available The structure and thermodynamic properties of a ternary Cu50Ti25Zr25 metallic glass forming alloy in solid-liquid to glass phases were studied using molecular dynamics (MD method based on tight-binding (TB potentials. An atomic description of the melting, glass formation and crystallization process has been analyzed using different heating and cooling rates. The computed Glass Forming Ability (GFA parameters are in good agreement with experimental data. The structure analysis of the Cu50Ti25Zr25 based on molecular dynamics simulation will be also presented and compared with available MD results. We have also discussed the crystallization transition with two different interatomic potentials used in this work

  11. Diffusion of anthracene derivatives on Cu(111) studied by STM and DFT

    Science.gov (United States)

    Wyrick, Jonathan; Bartels, Ludwig; Einstein, Theodore

    2014-03-01

    Substituted anthracenes have drawn attention due to their ability to diffuse uniaxially on a Cu(111) surface. We compare anthracene to three of its derivatives whose 9,10 hydrogens are replaced by elements of the chalcogen group that act as linkers binding the molecules to a Cu(111) substrate. DFT calculations shed light on STM imaging and diffusion studies on the three substituted species. We present an analysis of the DFT results in which energetic contributions to the diffusion barriers are partitioned among the Kohn-Sham orbitals, allowing us to make assignments as to how each orbital affects diffusion for each species and draw comparisons between them. Present address: Center for Nanoscale Science and Technology, NIST, Gaithersburg, MD.

  12. Uniaxial stress study of the Cu-H complex in ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Lavrov, E.V.; Weber, J. [Technische Universitaet Dresden, 01062 Dresden (Germany)

    2006-10-15

    The influence of uniaxial stress on the vibrational mode of the Cu-H complex at 3192 cm{sup -1} in ZnO is studied. It is shown that the split patterns are consistent with the stretching mode of a bond-centered hydrogen located in the basal plane between substitutional Cu and O. Quantitative analysis of the stress effects reveals two low energy modes with frequencies of 25 and 49 cm{sup -1}. Upon substituting deuterium for hydrogen they shift to 22 and 36 cm{sup -1}, respectively. The origin of the low energy modes is discussed. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. A Study of Occurrences of Ag in Pb-Zn-Cu Ore Deposits in China

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    A systematic study of occurrences of silver in 156 Pb-Zn-Cu ore deposits indicates that silver mainly occurs in nonferrous metal ore deposits in forms of association and paragenesis. It occurs mainly as independent minerals in nature and occasionally as ion adsorption, isomorphous or amorphous silver minerals. Nearly 190 silver minerals have been discovered in China. Their shapes, constituents, textures, grain sizes, embedded types, distribution patterns, mineral assemblages and metallogenic series suggest that these characteristics are closely related to geneses of deposits and dependent of ore-forming conditions. Pb, Zn and Cu sulphides are the main carrier minerals of silver. The partition of silver in ore is constrained by the mineralization intensity, grain size and embedded form of silver minerals and mineral assemblages.

  14. Heat-treatment studies on thin-film CdS/Cu/x/S solar cells

    Science.gov (United States)

    Hmurcik, L.; Serway, R. A.

    1982-12-01

    CdS/CuS polycrystalline solar cells were heat treated in different mixtures of hydrogen and oxygen and examined for the resultant I-V curves. Ten cells were studied, six which were heat treated, then kept in storage for one year. Monitoring was also carried out on the short-circuit current density, the open circuit voltage, the fill factor, and the cell efficiency. Several episodes of heat treatment were performed, with measurements carried out after each. It was determined that changes in the copper-sulfide stoichiometry were the cause of changes in the short-circuit current. Monitoring the changes in the short-circuit current during heating in a hydrogen atmosphere permitted optimization of the cell efficiency to within 5% of its theoretical value. The hydrogen-atmosphere heating is noted to increase the CuS layer stoichiometry.

  15. Ab initio study of heterojunction discontinuities in the ZnO/Cu2O system

    Science.gov (United States)

    Zemzemi, M.; Alaya, S.; Ben Ayadi, Z.

    2014-06-01

    Solar cells based on transparent conductive oxides such as ZnO/Cu2O constitute a very advanced way to build high-performance cells. In this work, we are interested in the characterization of the interface through nanoscale modeling based on ab initio approaches (density functional theory, local density approximation, and pseudopotential). This work aims to build a supercell containing a heterojunction ZnO/Cu2O and study the structural properties and the discontinuity of the valence band (band offset) from a semiconducting to another phase. We build a zinc oxide in the wurtzite structure along [0001] on which we place the copper oxide in the hexagonal (CdI2-type) structure. We choose the method of Van de Walle and Martin to calculate the energy offset. This approach fits well the density functional theory. Our calculation of the band offset gives a value that corresponds to other experimental and theoretical values.

  16. Adsorption and dissociation of H2O on Cu2O(100):A computational study

    Institute of Scientific and Technical Information of China (English)

    Yun Li; Lifen Yan; Guichang Wang

    2011-01-01

    The adsorption and dissociation of water on Cu2O(100)have been investigated by the density functional theory-generalized gradient approximation(DFT GGA)method.The corresponding reaction energies,the structures of the transition states and the activation energies were determined.Calculations with and without dipole correction were both studied to get an understanding of the effect of the dipole moment on the adsorption and reaction of water on dipole surface Cu2O(100).When dipole correction was added,the adsorption energies of H2O on different sites generally decreased.The calculated activation barriers for HxO(x=1,2)dehydrogenation are 0.42 eV(1.01 eV without the dipole correction)and 1.86 eV,respectively,including the zero point energy correction.The first dehydrogenation outcome is energetically the most stable product.

  17. Comparative Density Functional Study of Methanol Decomposition on Cu4 and Co4 Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Mehmood, Faisal; Greeley, Jeffrey P.; Zapol, Peter; Curtiss, Larry A.

    2010-11-18

    A density functional theory study of the decomposition of methanol on Cu4 and Co4 clusters is presented. The reaction intermediates and activation barriers have been determined for reaction steps to form H2 and CO. For both clusters, methanol decomposition initiated by C-H and O-H bond breaking was investigated. In the case of a Cu4 cluster, methanol dehydrogenation through hydroxymethyl (CH2OH), hydroxymethylene (CHOH), formyl (CHO), and carbon monoxide (CO) is found to be slightly more favorable. For a Co4 cluster, the dehydrogenation pathway through methoxy (CH3O) and formaldehyde (CH2O) is slightly more favorable. Each of these pathways results in formation of CO and H2. The Co cluster pathway is very favorable thermodynamically and kinetically for dehydrogenation. However, since CO binds strongly, it is likely to poison methanol decomposition to H2 and CO at low temperatures. In contrast, for the Cu cluster, CO poisoning is not likely to be a problem since it does not bind strongly, but the dehydrogenation steps are not energetically favorable. Pathways involving C-O bond cleavage are even less energetically favorable. The results are compared to our previous study of methanol decomposition on Pd4 and Pd8 clusters. Finally, all reaction energy changes and transition state energies, including those for the Pd clusters, are related in a linear, Broensted-Evans-Polanyi plot.

  18. Thermal Properties of the Mixed n-Octadecane/Cu Nanoparticle Nanofluids during Phase Transition: A Molecular Dynamics Study

    Directory of Open Access Journals (Sweden)

    Qibin Li

    2017-01-01

    Full Text Available Paraffin based nanofluids are widely used as thermal energy storage materials and hold many applications in the energy industry. In this work, equilibrium and nonequilibrium molecular dynamics simulations are employed to study the thermal properties of the mixed nanofluids of n-octadecane and Cu nanoparticles during phase transition. Four different nanofluids systems with different mass ratios between the n-octadecane and Cu nanoparticles have been studied and the results show that Cu nanoparticles can improve the thermal properties of n-octadecane. The melting point, heat capacity and thermal conductivity of the mixed systems are decreased with the increasing of the mass ratio of n-octadecane.

  19. Spatial variations of optoelectronic properties in single crystalline CuGaSe{sub 2} thin films studied by photoluminescence

    Energy Technology Data Exchange (ETDEWEB)

    Larsen, Jes K., E-mail: jes.larsen@uni.lu [Laboratory of Photovoltaics, University of Luxembourg, L-4422 Belval (Luxembourg); Guetay, Levent [Laboratory of Photovoltaics, University of Luxembourg, L-4422 Belval (Luxembourg); Aida, Yasuhiro [Laboratory of Photovoltaics, University of Luxembourg, L-4422 Belval (Luxembourg); Device Development Center, TDK Corporation, Ichikawa, Chiba, 272-8558 (Japan); Siebentritt, Susanne [Laboratory of Photovoltaics, University of Luxembourg, L-4422 Belval (Luxembourg)

    2011-08-31

    Single crystal CuGaSe{sub 2} (CGSe) thin films were grown epitaxially on GaAs substrates with different compositions and studied with spatially resolved photoluminescence with micrometer resolution ({mu}PL). Polycrystalline counterparts grown on glass were studied for comparison. {mu}PL performed at room temperature is used to analyze spatial variations of the band gap ({Delta}Eg) and the splitting of quasi-Fermi levels ({Delta}(E{sub Fn} - E{sub Fp})) of the absorber. In contrast to earlier studies on Cu(In,Ga)Se{sub 2} (CIGSe) we have concentrated on inhomogeneities occurring in the absence of alloying effects due to the In and Ga mixture. The epitaxially grown specimen exhibited a significantly smaller amount of variations than the polycrystalline counterparts. Cu-rich samples showed higher variation of {Delta}(E{sub Fn} - E{sub Fp}) compared to the Cu-poor counterparts. It is suggested that this is related to formation of a secondary phase Cu{sub x}Se under Cu-rich conditions giving rise to spatially fluctuating Cu-excess. The observed band gap variations could be attributed to strain effects in the absorber layer, and do not indicate any variations of the electronic structure of the absorber.

  20. First-principles study of the organometallic S =1/2 kagome compound Cu(1,3-bdc)

    Science.gov (United States)

    Liu, Zheng; Mei, Jia-Wei; Liu, Feng

    2015-10-01

    Cu(1,3-benzenedicarboxylate) [Cu(1,3-bdc)] contains structurally perfect kagome planes formed by Cu2 + ions without the presence of diamagnetic defects. This organometallic compound should serve as a precious platform to explore quantum frustrated magnetism, yet the experimental results so far are mysterious, leading to questions such as, "Is Cu(1,3-bdc) just a trivial weak ferromagnet?" Using the density functional theory, we have systematically studied the electronic and magnetic properties of Cu(1,3-bdc), putting forth a theoretical basis to clarify this novel material. We present numerical evidence of a dominating antiferromagnetic (AFM) exchange between nearest-neighbor (NN) Cu2 + as experimentally extracted from the high-temperature susceptibility data. We further show that beyond the NN AFM exchange, the additional interactions in Cu(1,3-bdc) have similar strength as those in the well-studied kagome antiferromagnet, herbertsmithite, by designing a comparative study. In the end, we discuss our understanding of the phase transition and FM signals observed under low temperature.

  1. Dehydrogenation kinetics of air-exposed MgH2/Mg2Cu and MgH2/MgCu2 studied with in situ X-ray powder diffraction

    DEFF Research Database (Denmark)

    Andreasen, A.; Sørensen, M.B.; Burkarl, R.

    2006-01-01

    The dehydrogenation kinetics of air exposed samples of MgH2/Mg2Cu and MgH2/MgCu2 have been studied with in situ time resolved X-ray powder diffraction. The X-ray setup enabled the recording of full diffraction patterns within 150 s, thereby allowing the study of structural changes combined...... sample was found to be 108 kJ/mol and 160 kJ/mol, respectively. Furthermore, substantially improved dehydrogenation kinetics of MgH2 and resistance towards oxidation of Mg due to the presence of Mg2Cu/MgCu2 are discussed in relation to previous work....

  2. Synthesis and microstructural studies of annealed Cu(2)O/Cu(x)S bilayer as transparent electrode material for photovoltaic and energy storage devices.

    Science.gov (United States)

    Taleatu, B A; Arbab, E A A; Omotoso, E; Mola, G T

    2014-10-01

    Cu2 O thin film and a transparent bilayer have been fabricated by electrodeposition method. The growths were obtained in potentiostatic mode with gradual degradation of anodic current. X-ray diffraction (XRD) study showed that the bilayer is polycrystalline and it possesses mixture of different crystallite phases of copper oxides. Surface morphology of the films was investigated by scanning electron microscopy (SEM). The SEM images revealed that the films were uniformly distributed and the starting material (Cu2 O) had cubical structure. Grains agglomeration and crystallinity were enhanced by annealing. Optical studies indicated that all the samples have direct allowed transition. Energy band gap of the bilayer film was reduced by annealing treatment thus corroborating quantum confinement upshot. © 2014 The Authors Journal of Microscopy © 2014 Royal Microscopical Society.

  3. Thermodynamic study of CuO/Cu2O and Co3O4/CoO redox pairs for solar energy thermochemical storage

    Science.gov (United States)

    Alonso, Elisa; Gallo, Alessandro; Pérez-Rábago, Carlos; Fuentealba, Edward

    2016-05-01

    Thermochemical storage of solar energy consists in reversible chemical reactions that absorb the solar heat during an endothermic step and release it by means of an exothermic reaction. CuO/Cu2O and Co3O4/CoO redox pairs have a high potential as materials to store solar energy at high temperature. Cobalt oxides have been so far studied by several authors and works while copper oxides suitability has been recently proved. However, in both cases, operation parameters need to be optimized. A theoretical study of the effect of total pressure, gas/solid molar rate and composition of working atmosphere on the systems equilibrium is presented. The equilibrium displacement caused by these parameters is calculated and discussed. Finally, some ideas for tentative implementations of these systems are commented.

  4. Analysis of anisotropic spin-label motion in saturation-transfer ESR spectra of spin-labeled cowpea chlorotic mottle virus

    Science.gov (United States)

    Hemminga, M. A.; Faber, A. J.

    A saturation-transfer ESR study is carried out on maleimide spin-labeled cowpea chlorotic mottle virus dissolved in various glycerol-water systems. The saturation-transfer ESR spectra were analyzed by comparing them with reference spectra of isotropically reorienting spin labels. The results are interpreted in terms of the overall motion of the virus particle, described by an isotropic rotational correlation time τR, and a local anisotropic spin-label motion with rotational correlation times τ| and τ⊥.

  5. NMR study of pyrochlore lattice antiferromagnet, melanothallite Cu2OCl2

    Science.gov (United States)

    Nishiyama, Masahide; Oyamada, Akira; Itou, Tetsuaki; Maegawa, Satoru; Okabe, Hirotaka; Akimitsu, Jun

    2011-09-01

    The melanothallite Cu2OCl2 is a new example of pyrochlore-like antiferromagnet, which is composed of 3d transition metal electrons. We performed Cu- and Cl-NMR experiments on powder samples of Cu2OCl2 below transition temperature TN = 70 K and we observed six resonant peaks of Cu nuclei, which are composed of three symmetric peaks corresponding to 63Cu and three corresponding to 65Cu. The Cu nuclei feel the strong hyperfine fields because of ordered magnetic moments and the electric field gradients. We determined the spin structure by analyzing the Cu-NMR spectra. The melanothallite has an all-in-all-out spin structure. The spin lattice relaxation rates T1-1 of Cu- and Cl-NMR in the ordered phase are proportional to the temperature; This suggests that although long-range ordering occurs at rather high temperature, the large spin fluctuations caused by the geometrical frustration still remain.

  6. Cu(Nor)2·5H2O, a complex of Cu(II) with Norfloxacin: theoretic approach and biological studies. Cytotoxicity and genotoxicity in cell cultures.

    Science.gov (United States)

    Di Virgilio, A L; León, I E; Franca, C A; Henao, I; Tobón, G; Etcheverry, S B

    2013-04-01

    Norfloxacin is a fluoroquinolone antibiotic used in the treatment of bacterial infections. In this article, we studied the potential antitumoral action of a complex of Norfloxacin with Cu(II), Cu(Nor)(2)·5H(2)O on osteosarcoma cells (UMR106) and calvaria-derived cells (MC3T3-E1), evaluating its cytotoxicity and genitoxicity. We have also elucidated the more stable conformation of this complex under physiologic conditions by Molecular Dynamic simulations based on the model of the canonical ensemble and PM6 force field. When solvent effect was taken into account, the complex conformation with both carbonyl groups in opposite sides displayed lower energy. Cu(Nor)(2)·5H(2)O caused an inhibitory effect on the proliferation on both cell lines from 300 μM (P < 0.01). Nevertheless, the decline on cell proliferation of UMR106 cells was more pronounced (45 % vs basal) than in MC3T3-E1 cells (20 % vs basal) at 300 μM (P < 0.01). Cu(Nor)(2)·5H(2)O altered lysosomal metabolism (Neutral Red assay) in a dose-dependent manner from 300 μM (P < 0.001). Morphological studies showed important transformations that correlated with a decrease in the number of cells in a dose-dependent manner. Moreover, Cu(Nor)(2)·5H(2)O caused statistically significant genotoxic effects on both osteoblast cell lines in a lower range of concentrations (Micronucleus assay) (P < 0.05 at 10 μM, P < 0.001 from 25 to 50 μM). UMR106 cells displayed a dose-related genotoxic effect between 5 and 25 μM while the MC3T3-E1 cells showed a narrower concentration dependent range. Altogether, these results suggest that Cu(Nor)(2)·5H(2)O is a good candidate to be further evaluated for alternative therapeutics in cancer treatment.

  7. Photoluminescence and X-ray diffraction studies on Cu{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Solache-Carranco, H., E-mail: hsolache@cinvestav.m [Departamento de Ingenieria Electrica, SEES, CINVESTAV-IPN, Mexico, D.F. (Mexico); Juarez-Diaz, G. [Departamento de Ingenieria Electrica, SEES, CINVESTAV-IPN, Mexico, D.F. (Mexico); Esparza-Garcia, A.; Briseno-Garcia, M. [Centro de Ciencias Aplicadas y Desarrollo de Tecnologia-UNAM, Mexico, D.F. (Mexico); Galvan-Arellano, M. [Departamento de Ingenieria Electrica, SEES, CINVESTAV-IPN, Mexico, D.F. (Mexico); Martinez-Juarez, J. [Centro de Investigacion en Dispositivos Semiconductores, BUAP, Puebla, Pue. (Mexico); Romero-Paredes, G.; Pena-Sierra, R. [Departamento de Ingenieria Electrica, SEES, CINVESTAV-IPN, Mexico, D.F. (Mexico)

    2009-12-15

    Cuprous oxide (Cu{sub 2}O) crystals were grown by the two-step crystallization method in air atmosphere conditions from polycrystalline thin copper foils. The method comprises two stages; in the first one the copper plates are oxidized at 1020 deg. C by some hours in line with its initial thickness. In the second stage, the growth of large crystalline areas is promoted by annealing the Cu{sub 2}O samples at 1100 deg. C for long periods. Raman scattering an X-ray measurements demonstrates the existence of the single-phase Cu{sub 2}O. The effects on the crystalline structure and photoluminescence (PL) response were studied as a function of the conditions used in the second stage of the synthesis method. PL spectra were taken from 10 to 180 K to define the main radiative recombination paths. Besides the near band excitonic transitions, two strong emission bands at 720 and 920 nm associated with relaxed excitons at oxygen and copper vacancies were detected. Both excitonic-vacancy bond transitions presented similar intensities that are related to the growth method. X-ray and Raman scattering measurements help to assess the samples crystalline quality.

  8. Synthesis and characterization studies of MgO:CuO nanocrystals by wet-chemical method

    Science.gov (United States)

    Kaviyarasu, K.; Maria Magdalane, C.; Anand, K.; Manikandan, E.; Maaza, M.

    2015-05-01

    In this report, we examine the progress in adapting these nanomaterials for several predominantly photonics device fabrication by wet-chemical method. Nanocomposite of magnesium oxide (MgO) with copper oxide (CuO) doped nanoparticles were characterized by X-ray powder diffraction (XRD) and the observed peaks are quite agreeable with the pure phase cubic structure. High-resolution transmission electron microscopic (HR-TEM) results reveal that the resultant nanopowders are porous and agglomerated with polycrystalline nano-entities. Field emission of selected-area electron diffraction (SAED) studies showed that the average size of the nanoparticles were 20 nm. Photoluminescence spectra of MgO:CuO were investigated, showing emission peaks around 375 nm relating to new energy levels induced by defects or defect levels generation and confocal micro-Raman images indicated that the chemical molecular vibrational band structure and morphology of the product which is spherical shaped nanoparticles with an average particle size of ∼25 nm with standard deviation. The electrochemical response of MgO:CuO which is proves that the nano-copper/magnesium has high functionality due to the small size and it has higher electrochemical activity without any modifications.

  9. Clinical Comparative Study of GyneFix IN and ML Cu375 Intrauterine Devices

    Institute of Scientific and Technical Information of China (English)

    窦金铃; 张颖; 张春云; 辛秀芳; 王吉英; 王荣梅; 王佩贞

    2001-01-01

    Objective To observe the effectiveness and side effects of GyneFix IN intrauterine device (IUD) in clinical useMaterials & methods The present study is a randomized clinical control trial, 1 956healthy parous women were randomly allocated into GyneFix IN group (n= 980) and ML Cu375 group (n= 976). Follow-up was arranged at 1, 3, 6 and 12 months after insertion. The discontinuation rates were calculated by using life table method.Results At the end of the first year, the pregnancy rate with IUDs and expulsion rate were 0. 4% and 2. 3% respectively in GyneFix IN group. It was the same as in ML Cu375 group (0. 4%, 2. 0%, P> 0. 05). The removal rate for medical reasons and the use-related discontinuation rate were 0. 4% and 3.1% respectively in GyneFix IN group, which were significantly lower than that in ML Cu375 group (1. 5%,4. 2%, P< 0. 01).Conclusion GyneFix IN IUD has high effectiveness, low expulsion rate and can significantly reduce the occurrence of side effects of bleeding and pain.

  10. Concave Cu-Pd bimetallic nanocrystals: Ligand-based Co-reduction and mechanistic study

    Institute of Scientific and Technical Information of China (English)

    Lan Zhang[1; Hongyang Su[1; Mei Sun[1; Youcheng Wang[1; Wenlong Wu[1; Taekyung Yu[2; Jie Zeng[1

    2015-01-01

    The synthesis of highly uniform alloy nanocrystals with a concave feature is desirable for applications in catalysis but is an arduous task. This article proposes an initiative protocol for the fabrication of novel Cu-Pd alloy nanocrystals, wherein the volume of decylamine (DA) in the reaction system was found to greatly influence the formation of different morphologies, including the tetrahedron (TH), concave tetrahedron (CTH), rhombohedral-tetrapod (RTP), and tetrapod (TP). The alloy structure of the products arises from the coordination interaction between the DA and metal ions, which affects the reduction potential of Cu and Pd species, and thus yields co-reduction. Other reaction parameters, such as the type of ligand, amount of reductant, and temperature, were also altered to study the growth mechanism, yielding consistent conclusions in the diffusion-controlled regime. As a catalyst, 48-nm Cu-Pd concave tetrahedral nanocrystals were highly active for the hydrogenation of 3-nitrostyrene and exhibited 〉99.9% chemoselectivity to C=C instead of-NO2.

  11. In-situ X-ray diffraction study of the initial dealloying of Cu{sub 3}Au(001) and Cu{sub 0.83}Pd{sub 0.17}(001)

    Energy Technology Data Exchange (ETDEWEB)

    Renner, F.U. [European Synchrotron Radiation Facility, 38043 Grenoble (France)]. E-mail: frank.renner@aist.go.jp; Gruender, Y. [European Synchrotron Radiation Facility, 38043 Grenoble (France); Lyman, P.F. [University of Wisconsin-Milwaukee, Department of Physics, Milwaukee, WI 53201 (United States); Zegenhagen, J. [European Synchrotron Radiation Facility, 38043 Grenoble (France)

    2007-05-23

    Dealloying and selective dissolution are serious corrosion processes, but also employed in technology. We studied the surface structure of Cu{sub 0.83}Pd{sub 0.17}(001) and Cu{sub 3}Au(001) during electrochemical selective Cu dissolution below the critical potential in-situ in 0.1 M H{sub 2}SO{sub 4} (pH = 1) electrolyte. In both cases we observe the formation of an epitaxial layer of nano-scale islands of the noble component of the original alloy (Au or Pd). These islands form a metallic passivation layer suppressing massive dissolution of Cu. The Au islands developed {l_brace}111{r_brace} facets. By re-deposition of Cu ions from the electrolyte solution onto Pd islands, an epitaxial Cu layer is formed.

  12. First-principles study of defect formation in the photovoltaic semiconductor Cu2SnS3 for comparison with Cu2ZnSnS4 and CuInSe2

    Science.gov (United States)

    Nishihara, Hironori; Maeda, Tsuyoshi; Shigemi, Akio; Wada, Takahiro

    2016-04-01

    The formation energies of neutral Cu, Sn, and S vacancies in monoclinic Cu2SnS3 were calculated by first-principles pseudopotential calculations using plane-wave basis functions in typical points in a schematic ternary phase diagram of a Cu-Sn-S system. The formation energy of a Cu atom vacancy in Cu2SnS3 under the Cu-poor condition has been calculated to be 0.23 eV, which is considerably smaller than those of Sn and S vacancies in Cu2SnS3. The results have been compared with those in Cu2SnZnS4 and CuInSe2 calculated with the same version of program code. The formation energy of a Cu atom vacancy in Cu2SnS3 under the Cu-poor condition is smaller than those for Cu2SnZnS4 (0.40 eV) and CuInSe2 (0.50 eV). The results indicate that Cu vacancies are easily formed in Cu2SnS3 under the Cu-poor condition as is the case with Cu2ZnSnS4 and CuInSe2. In this respect, Cu2SnS3 has the appropriate character of a light-absorbing material for thin-film solar cells, as is the case with Cu2ZnSnS4 and CuInSe2.

  13. On the use of Cu:Be clamp cells in magnetization and neutron scattering studies

    Energy Technology Data Exchange (ETDEWEB)

    Pfleiderer, C [Physikalisches Institut, Universitaet Karlsruhe, D-76128 Karlsruhe (Germany); Huxley, A D [DRFMC-SPSMS, CEA Grenoble, F-38054 Grenoble Cedex 9 (France); Hayden, S M [HH Wills Physics Laboratory, University of Bristol, Bristol BS8 1TL (United Kingdom)

    2005-10-12

    The use of miniature clamp cells made of Cu:Be for magnetization and neutron scattering studies in the medium pressure range is reviewed by giving recent results achieved in studies of UGe{sub 2}, MnSi and ZrZn{sub 2}. The experiments reviewed here establish in particular that small samples can be studied rather well at high pressures using a variety of different techniques, notably conventional diffraction, cold and thermal neutron triple axes and small-angle neutron scattering.

  14. Study on improvement of conductivity of Cu-Cr-Zr alloys

    Institute of Scientific and Technical Information of China (English)

    LI Huaqing; XIE Shuisheng; WU Pengyue; MI Xujun

    2007-01-01

    The influence of alloying, heat treatment, and plastic working on the performance of Cu-Cr-Zr alloys was investigated. The precipitated phases were characterized as Cr, Cu51Zr14 and Cu5Zr. Cu-Cr-Zr alloys demonstrate combination properties of high strength and high conductivity after solution treatment, aging treatment, and plastic deformation. Precipitation course of Cr is the main factor that influences the conductivity of Cu-Cr-Zr alloys, while adding Zr in the alloys adjusts the orientation relationship between Cr and matrix, and tends to increase the conductivity of aged Cu-Cr-Zr alloys after deformation.

  15. Density Functional Theory Meta-GGA+U Study of Water Incorporation in the Metal Organic Framework Material Cu-BTC

    OpenAIRE

    Cockayne, Eric; Nelson, Eric B.

    2015-01-01

    Water absorption in the metal-organic framework (MOF) material Cu-BTC, up to a concentration of 3.5 H$_2$O per Cu ion, is studied via density functional theory at the meta-GGA+U level. The stable arrangements of water molecules show chains of hydrogen-bonded water molecules and a tendency to form closed cages at high concentration. Water clusters are stabilized primarily by a combination of water-water hydrogen bonding and Cu-water oxygen interactions. Stability is further enhanced by van der...

  16. In situ scanning tunneling microscopy study of selective dissolution of Au{sub 3}Cu and Cu{sub 3}Au (0 0 1)

    Energy Technology Data Exchange (ETDEWEB)

    Renner, Frank Uwe [Max-Planck-Institut fuer Eisenforschung, Max-Planck-Str.1, Duesseldorf 40237 (Germany); Eckstein, Gerald Andreas [Universitaet Erlangen-Nuernberg, Martensstrasse 7, D-91058 Erlangen (Germany); Lymperakis, Liverios [Max-Planck-Institut fuer Eisenforschung, Max-Planck-Str.1, Duesseldorf 40237 (Germany); Dakkouri-Baldauf, Andrea [Universitaet Erlangen-Nuernberg, Martensstrasse 7, D-91058 Erlangen (Germany); Rohwerder, Michael, E-mail: m.rohwerder@mpie.d [Max-Planck-Institut fuer Eisenforschung, Max-Planck-Str.1, Duesseldorf 40237 (Germany); Neugebauer, Joerg; Stratmann, Martin [Max-Planck-Institut fuer Eisenforschung, Max-Planck-Str.1, Duesseldorf 40237 (Germany)

    2011-01-15

    We present an electrochemical study of Au{sub 3}Cu (0 0 1) single crystal surfaces in 0.1 mol dm{sup -3} H{sub 2}SO{sub 4} and 0.1 mol dm{sup -3} H{sub 2}SO{sub 4} + 0.1 mmol dm{sup -3} HCl, and of Cu{sub 3}Au (0 0 1) in 0.1 mol dm{sup -3} H{sub 2}SO{sub 4}. The focus is on in situ scanning tunneling microscopy experiments. The changes of the surface morphology, which are time- and potential-dependent, have been observed, clearly resolving single atomic steps and mono-atomic islands and pits. Chloride additives enhance the surface diffusion and respective morphologies are observed earlier. All surfaces have shown considerable roughening already in the passive region far below the critical potential.

  17. Degradation and ESR Failures in MnO2 Chip Tantalum Capacitors

    Science.gov (United States)

    Teverovsky, Alexander A.

    2017-01-01

    Equivalent series resistance (ESR) of chip tantalum capacitors determines the rate of energy delivery and power dissipation thus affecting temperature and reliability of the parts. Employment of advanced capacitors with reduced ESR decreases power losses and improves efficiency in power systems. Stability of ESR is essential for correct operations of power units and might cause malfunctioning and failures when ESR becomes too high or too low. Several cases with ESR values in CWR29 capacitors exceeding the specified limit that were observed recently raised concerns regarding environmental factors affecting ESR and the adequacy of the existing screening and qualification testing. In this work, results of stress testing of various types of military and commercial capacitors obtained over years by GSFC test lab and NEPP projects that involved ESR measurements are described. Environmental stress tests include testing in humidity and vacuum chambers, temperature cycling, long-term storage at high temperatures, and various soldering simulation tests. Note that in many cases parts failed due to excessive leakage currents or reduced breakdown voltages. However, only ESR-related degradation and failures are discussed. Mechanisms of moisture effect are discussed and recommendations to improve screening and qualification system are suggested.

  18. Effect of sorption conditions on the state of copper(II) ions in the phase of AN-31 ion exchange resin, according to data from ESR and UV-vis diffuse reflectance spectroscopy

    Science.gov (United States)

    Stroganova, E. A.; Anufrienko, V. F.; Larina, T. V.; Vasenin, N. T.; Lebedev, Yu. A.; Parmon, V. N.

    2017-08-01

    It is found that the sorption recovery of copper ions from water solutions in the phase of AN-31 low basicity anion exchanger has a mixed character. It is established via diffuse reflectance spectroscopy that ions are stabilized through complexation with the participation of the functional groups of the sorbent with the formation of structures [Cu(NR3)2(OH)2(H2O)2], [Cu(NR3)3(OH)(H2O)2], and as a result of the physical adsorption of oxide dimers and planar-squared copper clusters. It is shown that increasing the ionic strength of a solution by introducing sodium chloride into the system greatly improves the capacity of the sorbent and leads to the uniform distribution of copper ions in the resin matrix. The similarity between the ESR spectrum parameters of copper-containing samples of the ion exchanger, obtained in a wider range of pH, is determined via ESR and testifies to the homogeneity of the stabilization positions of Cu2+ ions. The crystalline field of tetragonal-elongated octahedron is typical of all Cu2+ ions. All of the complexes have Cu(NO3)2 coordination nodes with the covalent bonding of Cu2+ ions and the amine groups of the sorbent.

  19. New ESR/U-series data for the early Middle Pleistocene site of Isernia la Pineta, Italy

    Energy Technology Data Exchange (ETDEWEB)

    Shao Qingfeng, E-mail: shao@mnhn.fr [Departement de Prehistoire du Museum National d' Histoire Naturelle, UMR 7194 CNRS, 1 rue Rene Panhard, F-75013 Paris (France); Bahain, Jean-Jacques; Falgueres, Christophe [Departement de Prehistoire du Museum National d' Histoire Naturelle, UMR 7194 CNRS, 1 rue Rene Panhard, F-75013 Paris (France); Peretto, Carlo; Arzarello, Marta; Minelli, Antonella; Thun Hohenstein, Ursula [Dipartimento di Biologia ed Evoluzione, Universita di Ferrara, C.so Ercole I d' Este 32, I-44121 Ferrara (Italy); Dolo, Jean-Michel; Garcia, Tristan [CEA, LIST, Laboratoire National Henri Becquerel, F-91191 Gif-sur-Yvette cedex (France); Frank, Norbert; Douville, Eric [Laboratoire des Sciences du Climat et de l' Environnement, LSCE/IPSL, UMR 8212 CNRS-CEA-UVSQ, Domaine du CNRS, F-91198 Gif/Yvette cedex (France)

    2011-09-15

    Located in Southern Italy, the Early Palaeolithic site of Isernia la Pineta has provided numerous palaeontological remains and artefacts in well-defined fluvio-lacustrine sequence. The normal magnetization of the main archaeological layer t3a and {sup 39}Ar/{sup 40}Ar date of 610 {+-} 10 (2{sigma}) ka, obtained from the immediately overlaying geological level, put the Isernia assemblage in the first part of the Middle Pleistocene. Previous ESR/U-series analyses of Isernia fossil teeth have displayed both recent U-uptake and severe underestimation of the ESR/U-series dates in comparison with the {sup 39}Ar/{sup 40}Ar age. In order to identify the cause of this age underestimation, new analyses were realized in the present study on four bovid teeth directly recovered from the archaeological surface t3a. The ESR/U-series dates obtained were once again strongly underestimated, with an error weighted mean age of 435 {+-} 24 (1{sigma}) ka. These too young dates could be associated to a change of the environmental {gamma}-dose rate during the geological history of the Isernia site, related to the revealed recent U-uptake into the palaeontological remains of the archaeological level. If we consider that this dose rate change was coeval with a wet interglacial period and taking the {sup 39}Ar/{sup 40}Ar age as geochronological reference, simulations with two dose rate steps indicate that this change could be correlated with marine isotopic stage 7 (MIS 7).

  20. First-principles study on the elastic properties of B‧ and Q phase in Al-Mg-Si (-Cu) alloys

    Science.gov (United States)

    Pan, Rong-Kai; Ma, Li; Bian, Nan; Wang, Ming-Hui; Li, Peng-Bo; Tang, Bi-Yu; Peng, Li-Ming; Ding, Wen-Jiang

    2013-01-01

    First-principles calculations within the density functional theory have been carried out to study the structural, elastic and electronic properties of B‧ and Q phases in Al-Mg-Si (-Cu) alloys. The obtained lattice constant a is reduced while c is increased with the addition of Cu into B‧ phase Al3Mg9Si7. The lower formation enthalpy of Q phase Al3Cu2Mg9Si7 shows that the structural stability is improved after the addition of Cu into the B‧ phase. The calculated elastic constants Cij with the exception of C13 for Q phase are larger than for B‧ phase. In addition, the derived bulk, shear, Young's modulus and Debye temperature except Poisson's ratio are also significantly increased with Cu addition, indicating that Q phase has a favorable improvement of hardness. The elastic anisotropies of the two phases are discussed in detail using several criteria, showing that the anisotropy degree of B‧ phase is larger than of Q phase. The electronic structures show that the two phases possess a mixed bonding character of covalent and ionic, and Cu-Si bonding is beneficial in stabilizing the Q phase due to the hybridization of Cu 3d and Si 3p orbits.

  1. Study on visible emission of Cu-ion-doped perovskite hafnate in view of excitation energy dependence

    Energy Technology Data Exchange (ETDEWEB)

    Lee, D. J.; Lee, Y. S. [Soongnsil University, Seoul (Korea, Republic of); Noh, H. J. [Chonnam National University, Gwangju (Korea, Republic of)

    2015-12-15

    We studied on the visible emission of Cu-ion-doped perovskite hafnate SrHfO{sub 3} (SHO:Cu) with the photo-excitation energy dependence. The polycrystalline SHO:Cu samples were newly synthesized in the solid state reaction method. From the X-ray diffraction measurement it was found that the crystalline structure of SHO:Cu is nearly identical to that of undoped SrHfO{sub 3}. Interestingly, the photoluminescence excitation (PLE) spectra change significantly with the emission energy, which is linked to the strong dependence of the visible emission on the photo-excitation energy. This unusual emission behavior is likely to be associated with the mixed valence states of the doped Cu ions, which were revealed by X-ray photoelectron spectroscopy. We compared our finding of tunable visible emission in the SHO:Cu compounds with the cases of similar materials, SrTiO{sub 3} and SrZrO{sub 3} with Cu-ion-doping.

  2. Mechanisms of age-hardening in two Al-Cu-Mg alloys studied by positron annihilation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ferragut, R. [Univ. Nacional del Centro de la Provincia de Buenos Aires, Tandil (Argentina). IFIMAT; INFM and Dipt. di Fisica, Politecnico di Milano, Milano (Italy); Somoza, A. [Univ. Nacional del Centro de la Provincia de Buenos Aires, Tandil (Argentina). IFIMAT; Dupasquier, A. [INFM and Dipt. di Fisica, Politecnico di Milano, Milano (Italy); Polmear, I.J. [Monash Univ., School of Physics and Materials Engineering, Melbourne (Australia)

    2002-07-01

    Age-hardening at 150 C has been studied in an Al-Cu-Mg alloy microalloyed with 0.1 at.% Ag and the commercial alloy 2024. Positron annihilation lifetime spectroscopy (PALS) was combined with measurements of microhardness changes during ageing at 150 C. Both alloys are known to harden in two stages separated by an extended plateau. Combined PALS and hardness data shows that the effect of Ag is to enhance vacancy trapping at Mg atoms in competition with the formation of mobile vacancy-Cu pairs. Thus, the addition of Ag gives a reduction of Cu atoms mobility, leading to slower initial hardening in comparison with a silver-free alloy with similar Cu:Mg ratio. In both alloys, the second stage of hardening begins before increases occur in positron lifetimes that indicate the formation of misfit interfaces (i.e. semi-coherent precipitates). This observation supports the view that this second stage of hardening in alloys based on the Al-Cu-Mg system is associated mainly with the growth and transformation of coherent GP(Cu,Mg) zones. The PALS data are consistent with the hypothesis that the X' phase, previously observed to be present in Al-Cu-Mg-Ag at peak ageing, develops misfit interfaces with the matrix. (orig.)

  3. Multiscale Study of Interfacial Intermetallic Compounds in a Dissimilar Al 6082-T6/Cu Friction-Stir Weld

    Science.gov (United States)

    Avettand-Fenoël, M. N.; Taillard, R.; Ji, G.; Goran, D.

    2012-12-01

    The objective of this work was to characterize the Al x Cu y intermetallic compounds (IMCs) formed at the abutting interface during solid-state friction-stir welding (FSW) of 6082 aluminum alloy and pure copper. As IMCs are potential sources of flaws in case of mechanical loading of welds, their study is essential at various scale lengths. In the present case, they have been identified by neutron diffraction, electron backscattered diffraction, and transmission electron microscopy. Neutron diffraction analyses have shown that a shift of the tool from the interface, in particular towards the Cu part, generates an increase of the IMCs' volume fraction. In accordance with an exacerbation of its kinetics of formation by FSW, a 4- μm-thick layer has precipitated at the interface despite the shortness of the thermal cycle. This layer is composed of two sublayers with the Al4Cu9 and Al2Cu stoichiometry, respectively. Convergent beam electron diffraction analyses have, however, disclosed that the crystallography of the current Al2Cu compound does not comply with the usual tetragonal symmetry of this phase. The Al2Cu phase formation results from both the local chemical composition and thermodynamics, whereas the development of Al4Cu9 is rather due to both the local chemical composition and the shortness of the local FSW thermal cycle.

  4. Distribution Behavior of Aluminum and Titanium Between Nickel-Based Alloys and Molten Slags in the Electro Slag Remelting (ESR) Process

    Science.gov (United States)

    Yang, Jun Gil; Park, Joo Hyun

    2017-08-01

    The equilibrium reaction between Ni alloys and CaO-Al2O3-CaF2-TiO2 system electroslag remelting (ESR) slags was investigated in the temperature range of 1773 K to 1873 K (1500 °C to 1600 °C) at p(O2) = 10-16 atm in order to obtain the optimized composition of the slags for producing Ni alloys with various Al and Ti ratios. In addition, the temperature dependence of the reaction equilibria between the ESR slags and Ni alloys was also evaluated. The stable ionic species of titanium in the ESR slag under the present experimental conditions was experimentally confirmed to be mainly Ti4+ ( i.e., TiO2) by X-ray photoelectron spectroscopy analysis of the quenched samples. The activity-composition relationship of TiO2 and Al2O3 in the ESR slag was determined as a function of the Al/Ti ratio of the alloys and the CaF2 content of the slags in conjunction with the activity ratio of Al to Ti in the alloys calculated from the FactSageTM 7.0 software. The temperature dependence of the activity-composition relationship of TiO2 and Al2O3 in the slag showed good linear correlations, and the equilibrium content ratio of TiO2 to Al2O3 at a fixed activity ratio increased with increasing temperature, which was expected based on the standard enthalpy change of the reaction. Thus, higher amounts of TiO2 should be added at higher operation temperatures in the ESR process. A 120 kg scale pilot ESR test (2000 A and 16 V) was performed to produce a commercial grade Ni-based superalloy based on the activity-composition relationship of the slag components obtained in the present study. Consequently, the contents of Al and Ti in the solidified ESR ingot were nearly the same as that of the original electrode throughout the entire length (280 mm) after the ESR process.

  5. The energies of formation and mobilities of Cu surface species on Cu and ZnO in methanol and water gas shift atmospheres studied by DFT

    DEFF Research Database (Denmark)

    Rasmussen, Dominik Bjørn; Janssens, Ton V.W.; Temel, Burcin;

    2012-01-01

    ) species are investigated in relevant synthesis gas compositions. The CuCO and Cu2HCOO species are identified to be predominant for metal transport on Cu particles, which may contribute to sintering of Cu by particle migration and coalescence. Furthermore, transport of Cu on ZnO is found mostly to occur......Catalysts based on copper, such as the Cu/ZnO/Al2O3 system are widely used for industrial scale methanol synthesis and the low temperature water gas shift reaction. A common characteristic of these catalysts is that they deactivate quite rapidly during operation and therefore understanding...... through CuCO species, which indicates that CuCO is an important species for Ostwald ripening in a Cu/ZnO catalyst. These results provide atomistic perspective on the diffusion of the species that may contribute to catalyst sintering, therefore lending a valuable foundation for future investigations...

  6. Broadband lasercooling of relativistic ions at the ESR

    Energy Technology Data Exchange (ETDEWEB)

    Winters, Danyal; Ullmann, Johannes; Clark, Colin; Dimopoulou, Christina; Nolden, Fritz; Steck, Markus [GSI Darmstadt (Germany); Bussmann, Michael; Siebold, Mathias; Seltmann, Michael; Schramm, Ulrich [HZDR Dresden (Germany); Wen, Weiqiang [GSI Darmstadt (Germany); IMP CAS Lanzhou (China); Sanchez, Rodolfo; Lochmann, Matthias [GSI Darmstadt (Germany); Uni Mainz (Germany); Beck, Tobias; Rein, Benjamin; Tichelmann, Sascha; Birkl, Gerhard; Walther, Thomas [TU Darmstadt (Germany); Zhang, Dacheng; Yang, Jie; Ma, Xinwen [IMP CAS Lanzhou (China); Noertershaeuser, Wilfried [GSI Darmstadt (Germany); Uni Mainz (Germany); TU Darmstadt (Germany); Kuehl, Thomas [GSI Darmstadt (Germany); Uni Mainz (Germany); HI Jena (Germany); Stoehlker, Thomas [GSI Darmstadt (Germany); Uni Jena (Germany); HI Jena (Germany)

    2013-07-01

    We present new results on broadband laser cooling of stored relativistic C{sup 3+} ion beams at the ESR in Darmstadt. For the first time we could show laser cooling of bunched relativistic ion beams using a UV-laser which could scan over a very large range and thus cool all the ions in the 'bucket'. This scheme is much more versatile than a previous scheme, where the bunching frequency was scanned relative to a fixed laser frequency. We have also demonstrated that this cooling scheme works without pre-electron cooling, which is a prerequisite for its general application to future storage rings and synchrotrons, such as the HESR and the SIS100 at FAIR. We also present results from in vacuo VUV-fluorescence detectors, which have proven to be very effective.

  7. Magnetoresistive study of the antiferromagnetic-weak ferromagnetic transition in single-crystal La2CuO4+δ

    Science.gov (United States)

    Belevtsev, B. I.; Dalakova, N. V.; Savitsky, V. N.; Panfilov, A. S.; Braude, I. S.; Bondarenko, A. V.

    2004-05-01

    Resistive measurements were made to study the magnetic field-induced antiferromagnetic (AF)—weak ferromagnetic (WF) transition in the La2CuO4 single crystal. The magnetic field (dc or pulsed) was applied normally to the CuO2 layers. The transition manifested itself in a drastic decrease of the resistance in critical fields of 5-7 T. The study is the first to display the effect of the AF-WF transition on the conductivity of the La2CuO4 single crystal in the direction parallel to the CuO2 layers. The results provide support for the three-dimensional nature of the hopping conduction of this layered oxide.

  8. Evolution of atomic structure in Al75Cu25 liquid from experimental and ab initio molecular dynamics simulation studies.

    Science.gov (United States)

    Xiong, L H; Yoo, H; Lou, H B; Wang, X D; Cao, Q P; Zhang, D X; Jiang, J Z; Xie, H L; Xiao, T Q; Jeon, S; Lee, G W

    2015-01-28

    X-ray diffraction and electrostatic levitation measurements, together with the ab initio molecular dynamics simulation of liquid Al(75)Cu(25) alloy have been performed from 800 to 1600 K. Experimental and ab initio molecular dynamics simulation results match well with each other. No abnormal changes were experimentally detected in the specific heat capacity over total hemispheric emissivity and density curves in the studied temperature range for a bulk liquid Al(75)Cu(25) alloy measured by the electrostatic levitation technique. The structure factors gained by the ab initio molecular dynamics simulation precisely coincide with the experimental data. The atomic structure analyzed by the Honeycutt-Andersen index and Voronoi tessellation methods shows that icosahedral-like atomic clusters prevail in the liquid Al(75)Cu(25) alloy and the atomic clusters evolve continuously. All results obtained here suggest that no liquid-liquid transition appears in the bulk liquid Al(75)Cu(25) alloy in the studied temperature range.

  9. First principle study of the electronic structure, Fermi surface, electronic charge density and optical properties of ThCu{sub 5}In and ThCu{sub 5}Sn single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H. [Institute of complex systems, FFPW, CENAKVA-University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Azam, Sikander, E-mail: sikander.physicst@gmail.com [Institute of complex systems, FFPW, CENAKVA-University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic)

    2014-02-15

    The electronic structure, Fermi surface, electronic charge density and optical properties of ThCu{sub 5}In and ThCu{sub 5}Sn single crystals are studied. The calculations are based on the full potential-linearized augmented plane wave (FPLAPW) method. The exchange and correlation potential is treated by the local density approximation (LDA) and generalized-gradient approximation (GGA), in addition the Engel–Vosko (EV-GGA) formalism was also applied. The DFT calculations show that these compounds have metallic origin. The contribution of different bands was analyzed from total and partial density of states curves. The values of the density of states at Fermi energy (N(E{sub F})) for ThCu{sub 5}In (ThCu{sub 5}Sn) is 1.75 (1.63) states/eV unit cell. The bare electronic specific heat coefficient (γ) is found to be equal to 0.30 and 0.28 mJ/mol-K{sup 2} for ThCu{sub 5}In and ThCu{sub 5}Sn, respectively. The Fermi surface of ThCu{sub 5}In/ThCu{sub 5}Sn is composed of three/four bands crossing along the R–Γ direction. The bonding features are analyzed by using the electronic charge density contour in the (101) crystallographic plane and it shows the covalent character of Cu–Cu and Sn/In–Cu bonds. The optical properties were also calculated and analyzed. - Highlights: • The DFT-FPLAPW method used for calculating the properties of ThCu{sub 5}In and ThCu{sub 5}Sn compounds. • This study shows that the nature of the two compounds is metallic. • Crystallographic plane and it shows the covalent character of Cu–Cu and Sn/In–Cu bonds. • The optical properties were also calculated and analyzed. • The Fermi surface of ThCu{sub 5}In/ThCu{sub 5}Sn is composed of three/four bands crossing along the R–Γ direction.

  10. Study on the active sites of Cu-ZSM-5 in trichloroethylene catalytic combustion with air

    Institute of Scientific and Technical Information of China (English)

    Cheng Hua Xu; Chuan Qi Liu; Yan Zhong; Xiu Zhou Yang; Jian Ying Liu; Ying Chun Yang; Zhi Xiang Ye

    2008-01-01

    The catalytic activity of Cu-ZSM-5 in trichloroethylene (TCE) combustion increases with the increasing skeletal Cu amount and however decreases with the increase of surface amorphous CuO,which is detected by infrared spectroscopy (IR) and diffuse reflectance ultraviolet-visible spectroscopy (DRS-UV-vis),therefore the skeletal Cu species are concluded to be the active sites for the TCE combustion.

  11. Experimental study of enhanced heat transfer by addition of CuO nanoparticle

    Science.gov (United States)

    Jesumathy, Stella; Udayakumar, M.; Suresh, S.

    2012-06-01

    An energy storage system has been designed to study the thermal characteristics of paraffin wax with an embedded nano size copper oxide (CuO) particle. This paper presents studies conducted on phase transition times, heat fraction as well as heat transfer characteristics of paraffin wax as phase change material (PCM) embedded with CuO nanoparticles. 40 nm mean size CuO particles of 2, 5 and 10% by weight were dispersed in PCM for this study. Experiments were performed on a heat exchanger with 1.5-10 l/min of heat transfer fluid (HTF) flow. Time-based variations of the temperature distributions are revealed from the results of observations of melting and solidification curves. The results strongly suggested that the thermal conductivity enhances 6, 6.7 and 7.8% in liquid state and in dynamic viscosity it enhances by 5, 14 and 30% with increasing mass fraction of the CNEPs. The thermal conductivity ratio of the composites can be augmented by a factor up to 1.3. The heat transfer coefficient during solidification increased about 78% for the maximum flow rate. The analysis of experimental results reveals that the addition of copper oxide nanoparticles to the paraffin wax enhances both the conduction and natural convection very effectively in composites and in paraffin wax. The paraffin wax-based composites have great potential for energy storage applications like industrial waste heat recovery, solar thermal applications and solar based dynamic space power generation with optimal fraction of copper oxide nanoparticles.

  12. [A comparative study of T Cu-200 insertions by medical doctors and midwives].

    Science.gov (United States)

    Marangoni, P; Pozo, A; Faundes, A

    1976-01-01

    The Asociacion Pro Bienestar de la Familia Ecuadoriana has employed since 1965 midwives to perform clinical services. This comparative study investigates 310 insertions of T Cu-200 done by physicians, and 297 insertions of the same IUD type done by midwives. Age and parity of acceptors were comparable in both groups. Insertions were executed by midwives with as much skill and knowledge as the doctors, and termination rates for medical reasons were almost similar in both groups. Several authors have confirmed the fact that experienced midwives can be successfully trained in performing IUD insertions.

  13. In Situ Studies on the Irradiation-Induced Twin Boundary-Defect Interactions in Cu

    Science.gov (United States)

    Fan, C.; Li, Jin; Fan, Zhe; Wang, H.; Zhang, X.

    2017-08-01

    Polycrystalline Cu films with nanoscale annealing twins are subjected to in situ Kr++ ion irradiation at room temperature inside a transmission electron microscope up to a dose of 1 displacement-per-atom. Radiation induces prominent migration of incoherent twin boundaries. Depending on twin thickness, three types of twin boundary evolutions are observed, including rapid detwinning, gradual detwinning, and self-healing. The mechanism of twin thickness-dependent evolution of microstructures is discussed. This study provides further evidence on twin boundary-defect interactions and may assist the design of radiation-tolerant twinned metallic materials.

  14. Moessbauer study of a Fe-Zr-B-Cu-(Ge, Co) nanocrystalline alloy series

    Energy Technology Data Exchange (ETDEWEB)

    Blazquez, J.S. [Departamento de Fisica de la Materia Condensada. ICMSE-CSIC. Universidad de Sevilla, Apartado 1065, 41080 Sevilla (Spain); Franco, V. [Departamento de Fisica de la Materia Condensada. ICMSE-CSIC. Universidad de Sevilla, Apartado 1065, 41080 Sevilla (Spain); Conde, A. [Departamento de Fisica de la Materia Condensada. ICMSE-CSIC. Universidad de Sevilla, Apartado 1065, 41080 Sevilla (Spain)]. E-mail: conde@us.es

    2006-09-28

    Amorphous and nanocrystalline Fe-Zr-B-Cu alloys with partial substitution of Co for Fe and Ge for B have been studied by Moessbauer spectrometry (MS). The compositional and microstructural dependence of the different hyperfine parameters were related to the results obtained by X-ray diffraction (XRD) and saturation magnetization measurements. Combination of MS and XRD leads to estimate an interface region, of thickness {approx}0.6 nm. The magnetic moment per transition metal of the crystalline phase is reduced with respect to binary crystalline alloys due to the existence of the interface.

  15. The study of Cu/Nb interface diffusion using molecular dynamics simulation

    Directory of Open Access Journals (Sweden)

    Ivan V. Nelasov

    2016-06-01

    Full Text Available The peculiarities of interfacial boundary diffusion where the boundary goes between nonmiscible metals with body-centered cubic (BCC and face-centered cubic (FCC lattices have been studied taking, as a case in point, the Cu/Nb system, and using the molecular dynamics method. The diffusion atomic displacements were shown to occur mainly near the mismatch dislocations and their intersections. The diffusion of the high-melting component was found to be characterized by high anisotropy with the predominant atomic displacement along the dense-packed direction in the interfacial boundary plane being common to FCC and BCC lattices with the Kurdyumov–Sachs mutual orientation.

  16. STUDY ON THE HOT DEFORMATION BEHAVIORS OF Al-Zn-Mg-Cu-Cr ALUMINUM ALLOY

    Institute of Scientific and Technical Information of China (English)

    G.Y. Lin; Z.F. Zhang; H. Zhang; D.S. Peng; J. Zhou

    2008-01-01

    The hot deformation behaviors and mierostructures of Al-Zn-Mg-Cu-Cr aluminum alloy have been studied using thermal simulation test, optical microscopy and transmission electron microscopy. As a result, the true stress versus true strain curves and the microstructures under various deformation conditions are obtained. The microstructures gradually incline to dynamic-recrystallization with the deformation temperature rising and the recrystallization grains refine with the decrease of deformation temperature or with raising the strain rates. The quantitative relationship between the Zener-HoUomon parameter (Z) and average recrystallization grain size in the subsequent heat treatment is set up.

  17. TPR and TPD studies of effects of Cu and Ca promotion on Fe-Zn-based Fischer-Tropsch catalysts

    Indian Academy of Sciences (India)

    Olusola O James; Biswajit Chowdhury; Sudip Maity

    2013-05-01

    Temperature-programmed reduction (TPR) and temperature-programmed desorption (TPD) were used to study the effects of Cu and Ca promotion on Fe-Zn-based Fischer-Tropsch catalysts. The reduction temperature for Fe2O3 → Fe3O4 was unaffected by Ca addition but decreased when promoted with Cu. Fe-Zn promoted with Cu and Ca showed even much lower reduction temperature for Fe2O3→Fe3O4. Ca promotion enhances carburization and increases surface acidity and basicity of the Fe-Zn oxide precursor. While Cu inhibits carburization and decreases the surface acidity and basicity of the Fe-Zn oxide precursor. The implications of these effects on the application of catalysts for FT are discussed.

  18. NO Chemisorption on Cu/SSZ-13: a Comparative Study from Infrared Spectroscopy and DFT Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Renqin; McEwen, Jean-Sabin; Kollar, Marton; Gao, Feng; Wang, Yilin; Szanyi, Janos; Peden, Charles HF

    2014-11-07

    The locations and energies of Cu ions in a Cu/SSZ-13 zeolite catalyst were investigated by density functional theory (DFT) calculations. For 'naked' Cu2+ ions (i.e., Cu2+ ions with no ligands in their coordination spheres other than zeolite lattice oxygen atoms), the more energetically favorable sites are within a 6-membered ring. However, with the presence of various adsorbates, the energy difference between 6- and 8-membered ring locations greatly diminishes. Specifically, Cu2+ ions are substantially stabilized by -OH ligands (as [CuII(OH)]+), making the extra-framework sites in an 8-membered ring energetically more favorable than 6-membered ring sites. Under fully dehydrated high vacuum conditions with different Si/Al and Cu/Al ratios, three chemisorbed NO species coexist upon exposure of NO to Cu/SSZ-13: NO+, Cu2+-NO and Cu+-NO. The relative signal intensities for these bands vary greatly with Si/Al ratios. The vibrational frequency of chemisorbed NO was found to be very sensitive to the location of Cu2+ ions. On the one hand, with the aid from DFT calculations, the nature for these vibrations can be assigned in detail. On the other hand, the relative intensities for various Cu2+-NO species provide a good measure of the nature of Cu2+ ions as functions of Si/Al and Cu/Al ratios and the presence of humidity. These new findings cast doubt on the generally accepted proposal that only Cu2+ ions located in 6-membered rings are catalytically active for NH3-SCR.

  19. Dynamical properties of the sine-Gordon quantum spin magnet Cu-PM at zero and finite temperature

    Science.gov (United States)

    Tiegel, Alexander C.; Honecker, Andreas; Pruschke, Thomas; Ponomaryov, Alexey; Zvyagin, Sergei A.; Feyerherm, Ralf; Manmana, Salvatore R.

    2016-03-01

    The material copper pyrimidine dinitrate (Cu-PM) is a quasi-one-dimensional spin system described by the spin-1/2 X X Z Heisenberg antiferromagnet with Dzyaloshinskii-Moriya interactions. Based on numerical results obtained by the density-matrix renormalization group, exact diagonalization, and accompanying electron spin resonance (ESR) experiments we revisit the spin dynamics of this compound in an applied magnetic field. Our calculations for momentum and frequency-resolved dynamical quantities give direct access to the intensity of the elementary excitations at both zero and finite temperature. This allows us to study the system beyond the low-energy description by the quantum sine-Gordon model. We find a deviation from the Lorentz invariant dispersion for the single-soliton resonance. Furthermore, our calculations only confirm the presence of the strongest boundary bound state previously derived from a boundary sine-Gordon field theory, while composite boundary-bulk excitations have too low intensities to be observable. Upon increasing the temperature, we find a temperature-induced crossover of the soliton and the emergence of new features, such as interbreather transitions. The latter observation is confirmed by our ESR experiments on Cu-PM over a wide range of the applied field.

  20. Syntheses, characterization and antioxidant activity studies of mixed-ligand copper(II) complexes of 2,2‧-bipyridine and glycine: The X-ray crystal structure of [Cu(BPy)(Gly)]ClO4

    Science.gov (United States)

    Ibrahim, Mohamed M.; Ramadan, Abd El-Motaleb M.; Shaban, Shaban Y.; Mersal, Gaber A. M.; El-Shazly, Samir A.; Al-Juaid, Salih

    2017-04-01

    A series of mixed-ligand complexes, viz., [CuLL'X]Y {L = bipyridine; L' = glycine; X = 0, Y = ClO4- (1); X = Cl, Y = 2H2O (2); X = H2O, Y = NO3- (3); X = CH3COO-, Y = H2O (4)} and {[Cu(Gly)(BPy)]2-μ-(SO4)}(5)} have been synthesized and characterized by means of elemental analysis, spectroscopic (FT-IR, UV-Vis and ESR), and thermal analysis, as well as magnetic moment measurements. Spectral and X-ray structural features led to the conclusion that complexes 2-5 have square-pyramidal environments around copper(II) center with coordination chromophores CuN3OCl and CuN3O2, respectively. Whereas complex 1 displays square planar geometry. The quasi-reversible CuII/CuI redox couple slightly improves its reversibility with considerable decrease in current intensity. Additionally, the antioxidant (superoxide dismutase and catalase) biomimetic catalytic activities of the obtained complexes have been tested and found to be promising candidates as dual functional mimic enzyme to serve for complete reactive oxygen species (ROS) detoxification, both with respect to the superoxide radicals and the related peroxides.