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Sample records for high-field epr study

  1. High-spin chloro mononuclear MnIII complexes: a multifrequency high-field EPR study.

    Science.gov (United States)

    Mantel, Claire; Chen, Hongyu; Crabtree, Robert H; Brudvig, Gary W; Pécaut, Jacques; Collomb, Marie-Noëlle; Duboc, Carole

    2005-03-01

    The isolation, structural characterization, and electronic properties of two six-coordinated chloromanganese (III) complexes, [Mn(terpy)(Cl)3] (1) and [Mn(Phterpy)(Cl)3] (2), are reported (terpy = 2,2':6'2"-terpyridine, Phterpy = 4'-phenyl-2,2':6',2"-terpyridine). These complexes complement a series of mononuclear azide and fluoride Mn(lll) complexes synthesized with neutral N-tridentate ligands, [Mn(L)(X)3] (X = F- or N3 and L = terpy or bpea [N,N-bis(2-pyridylmethyl)-ethylamine)], previously described. Similar to these previous complexes, 1 and 2 exhibit a Jahn-Teller distortion of the octahedron, characteristic of a high-spin Mn(III) complex (S = 2). The analysis of the crystallographic data shows that, in both cases, the manganese ion lies in the center of a distorted octahedron characterized by an elongation along the tetragonal axis. Their electronic properties were investigated by multifrequency EPR (190-475 GHz) performed in the solid state at different temperatures (5-15 K). This study confirms our previous results and further shows that: i) the sign of D is correlated with the nature of the tetragonal distortion; ii) the magnitude of D is not sensitive to the nature of the anions in our series of rhombic complexes, contrary to the porphyrinic systems; iii) the [E/D] values (0.124 for 1 and 0.085 for 2) are smaller compared to those found for the [Mn(L)(X)3] complexes (in the range of 0.146 to 0.234); and iv) the E term increases when the ligand-field strength of the equatorial ligands decreases.

  2. Direct synthesis, crystal structures, high-field EPR, and magnetic studies of heterometallic polymers containing manganese(II) carboxylates interconnected by [Cu(en)2]2+.

    Science.gov (United States)

    Makhankova, Valeriya G; Beznischenko, Asya O; Kokozay, Vladimir N; Zubatyuk, Roman I; Shishkin, Oleg V; Jezierska, Julia; Ozarowski, Andrew

    2008-06-02

    Two heterometallic polymers containing cations [Cu(en)2]2+ and either the [Mn(mal)2(H2O)2]2- (1) or [Mn2(succ)2Cl2]n2n- (2) anions (mal=malonate and succ=succinate) were investigated by X-ray crystallography, high-field electron paramagnetic resonance (EPR) spectroscopy, and magnetic susceptibility measurements. Magnetic susceptibility and EPR spectra characteristic of antiferromagnetically coupled Mn2+-Mn2+ pairs were observed in 2, and the exchange integral J=31 cm(-1) (H=JS1S2) as well as the zero-field-splitting parameter D=-3.046 cm(-1) in the triplet state of the dimanganese entity was determined.

  3. High-field EPR spectroscopy of thermal donors in silicon

    DEFF Research Database (Denmark)

    Dirksen, R.; Rasmussen, F.B.; Gregorkiewicz, T.

    1997-01-01

    Thermal donors generated in p-type boron-doped Czochralski-grown silicon by a 450 degrees C heat treatment have been studied by high-field magnetic resonance spectroscopy. In the experiments conducted at a microwave frequency of 140 GHz and in a magnetic field of approximately 5 T four individual...

  4. The use of high field/frequency EPR in studies of radical and metal sites in proteins and small inorganic models

    Science.gov (United States)

    Andersson, K. Kristoffer; Barra, Anne-Laure

    2002-04-01

    Low temperature electron paramagnetic resonance (EPR) spectroscopy with frequencies between 95 and 345 GHz and magnetic fields up to 12 T have been used to study radicals and metal sites in proteins and small inorganic model complexes. We have studied radicals, Fe, Cu and Mn containing proteins. For S=1/2 systems, the high frequency method can resolve the g-value anisotropy. It was used in mouse ribonucleotide reductase (RNR) to show the presence of a hydrogen bond to the tyrosyl radical oxygen. At 285 GHz the type 2 Cu(II) signal in the complex enzyme laccase is clearly resolved from the Hg(II) containing laccase peroxide adduct. For simple metal sites, the systems over S=1/2 can be described by the spin Hamiltonian: HS= BgS+ D[ Sz2- S( S+1)/3+ E/ D ( Sx2- Sy2)]. From the high frequency EPR the D-value can be determined directly by, (I) shifts of geff for half-integer spin systems with large D-values as observed at 345 GHz on an Fe(II)NOEDTA complex, which is best described as S=3/2 system with D=11.5 cm -1, E=0.1 cm -1 and gx= gy= gz=2.0; (II) measuring the outermost signal, for systems with small D values, distant of (2 S-1)*∣ D∣ from the center of the spectrum as observed in S=5/2 Fe(III)EDTA. In Mn(II) substituted mouse RNR R2 protein the weakly interacting Mn(II) at X-band could be observed as decoupled Mn(II) at 285 GHz.

  5. Multi-frequency and high-field EPR study of manganese(III) protoporphyrin IX reconstituted myoglobin with an S=2 integer electron spin.

    Science.gov (United States)

    Horitani, Masaki; Yashiro, Haruhiko; Hagiwara, Masayuki; Hori, Hiroshi

    2008-04-01

    We investigate the electronic state of Mn(III) center with an integer electron spin S=2 in the manganese(III) protoporphyrin IX reconstituted myoglobin, Mn(III)Mb, by means of multi-frequency electron paramagnetic resonance (MFEPR) spectroscopy. Using a bimodal cavity resonator, X-band EPR signal from Mn(III) center in the Mn(III)Mb was observed near zero-field region. The temperature dependence of this signal indicates a negative axial zero-field splitting value, DEPR analysis shows that this signal is attributed to the transition between the closely spaced M(s)=+/-2 energy levels for the z-axis, corresponding to the heme normal. To determine the zero-field splitting (ZFS) parameters, EPR experiments on the Mn(III)Mb were performed at various temperatures for some frequencies between 30GHz and 130GHz and magnetic fields up to 14T. We observed several EPR spectra which are analyzed with a spin Hamiltonian for S=2, yielding highly accurate ZFS parameters; D=-3.79cm(-1) and |E|=0.08cm(-1) for an isotropic g=2.0. These ZFS parameters are compared with those in some Mn(III) complexes and Mn(III) superoxide dismutase (SOD), and effects on these parameters by the coordination and the symmetry of the ligands are discussed. To the best of our knowledge, these EPR spectra in the Mn(III)Mb are the very first MFEPR spectra at frequencies higher than Q-band in a metalloprotein with an integer spin.

  6. High-field (high-frequency) EPR spectroscopy and structural characterization of a novel manganese(III) corrole

    OpenAIRE

    Bendix, Jesper; Gray, Harry B.; Golubkov, Galina; Gross, Zeev

    2000-01-01

    The X-ray structure, magnetic susceptibility, and high-field (high-frequency) EPR spectrum of manganese 5,10,15-tris(pentafluorophenyl) corrole unambiguously establish that the complex contains an isolated, slightly rhombic, manganese(III) center.

  7. NANOSCOPIC MOLECULAR CLUSTER V15: HIGH-FIELD EPR AND MAGNETIZATION AT ULTRA-LOW TEMPERATURES

    Directory of Open Access Journals (Sweden)

    Boris Tsukerblat

    2007-06-01

    Full Text Available n this paper we give a short overview of our efforts in the understanding of the magnetic properties of the fascinating nanoscopic cluster K6[VIV15As6O42(H2O]·8H2O (hereafter V15 exhibiting layers of magnetization. We analyze EPR and adiabatic magnetization of the V15 cluster with a triangular VIV3 array causing spin frustration. A model for V15 includes isotropic and antisymmetric (AS exchange interactions in the general form compatible with the trigonal symmetry. Orientation of the AS vector (but not only its absolute value is shown to play an important physical role in spin-frustrated systems. We were able to reach perfect fit to the experimental data on the stepwise dependence of magnetization vs. field at ultra-low temperatures. Furthermore, it was possible for the first time to estimate precisely two components of the AS vector coupling constant, namely, in-plane component and the perpendicular part. We show that only intramultiplet transitions in EPR are allowed when the vector of AS exchange is normal to the plane of vanadium triangle, meanwhile the in-plane part of AS exchange gives rise to a series of weak intermultiplet transitions. Experimental data on high-frequency EPR of V15 at low temperatures are discussed. The spin-vibronic effects in trimeric spin frustrated clusters are also studied and an important role of the interplay between the AS exchange and Jahn-Teller interaction is revealed. The results clarify the concept of spin-frustration in view of its magnetic and spectroscopic manifestations in metal clusters.

  8. High-field EPR spectroscopy applied to biological systems: characterization of molecular switches for electron and ion transfer.

    Science.gov (United States)

    Möbius, K; Savitsky, A; Schnegg, A; Plato, M; Fuchst, M

    2005-01-07

    The last decade witnessed a tremendous growth in combined efforts of biologists, chemists and physicists to understand the dominant factors determining the specificity and directionality of transmembrane transfer processes in proteins. A large variety of experimental techniques is being used including X-ray and neutron diffraction, but also time-resolved optical, infrared and magnetic resonance spectroscopy. This is done in conjunction with genetic engineering strategies to construct site-specific mutants for controlled modification of the proteins. As a general perception of these efforts, the substantial influence of weak interactions within the protein and its membrane interfaces is recognized. The weak interactions are subject to subtle changes during the reaction cycle owing to the inherent flexibility of the protein-membrane complex. Specific conformational changes accomplish molecular-switch functions for the transfer process to proceed with optimum efficiency. Characteristic examples of time varying non-bonded interactions are specific H-patterns and/or polarity effects of the microenvironment. The present perception has emerged from the coupling of newly developed spectroscopic techniques - and advanced EPR certainly deserves credit in this respect - with newly developed computational strategies to interpret the experimental data in terms of protein structure and dynamics. By now, the partners of this coupling, particularly high-field EPR spectroscopy and DFT-based quantum theory, have reached a level of sophistication that applications to large biocomplexes are within reach. In this review, a few large paradigm biosystems are surveyed which were explored lately in our laboratory. Taking advantage of the improved spectral and temporal resolution of high-frequency/high-field EPR at 95 GHz/3.4 T and 360 GHz/12.9 T, as compared to conventional X-band EPR (9.5 GHz/0.34 T), three biosystems are characterized with respect to structure and dynamics: (1) Light

  9. Structure of the biliverdin radical intermediate in phycocyanobilin:ferredoxin oxidoreductase identified by high-field EPR and DFT.

    Science.gov (United States)

    Stoll, Stefan; Gunn, Alexander; Brynda, Marcin; Sughrue, Wesley; Kohler, Amanda C; Ozarowski, Andrew; Fisher, Andrew J; Lagarias, J Clark; Britt, R David

    2009-02-11

    The cyanobacterial enzyme phycocyanobilin:ferredoxin oxidoreductase (PcyA) catalyzes the two-step four-electron reduction of biliverdin IXalpha to phycocyanobilin, the precursor of biliprotein chromophores found in phycobilisomes. It is known that catalysis proceeds via paramagnetic radical intermediates, but the structure of these intermediates and the transfer pathways for the four protons involved are not known. In this study, high-field electron paramagnetic resonance (EPR) spectroscopy of frozen solutions and single crystals of the one-electron reduced protein-substrate complex of two PcyA mutants D105N from the cyanobacteria Synechocystis sp. PCC6803 and Nostoc sp. PCC7120 are examined. Detailed analysis of Synechocystis D105N mutant spectra at 130 and 406 GHz reveals a biliverdin radical with a very narrow g tensor with principal values 2.00359(5), 2.00341(5), and 2.00218(5). Using density-functional theory (DFT) computations to explore the possible protonation states of the biliverdin radical, it is shown that this g tensor is consistent with a biliverdin radical where the carbonyl oxygen atoms on both the A and the D pyrrole rings are protonated. This experimentally confirms the reaction mechanism recently proposed (Tu, et al. Biochemistry 2007, 46, 1484).

  10. The structure of the biliverdin radical intermediate in phycocyanobilin:ferredoxin oxidoreductase identified by high-field EPR and DFT

    Science.gov (United States)

    Stoll, Stefan; Gunn, Alexander; Brynda, Marcin; Sughrue, Wesley; Kohler, Amanda C.; Ozarowski, Andrew; Fisher, Andrew J.; Lagarias, J. Clark; Britt, R. David

    2009-01-01

    The cyanobacterial enzyme phycocyanobilin:ferredoxin oxidoreductase (PcyA) catalyzes the two-step four-electron reduction of biliverdin IXα to phycocyanobilin, the precursor of biliprotein chromophores found in phycobilisomes. It is known that catalysis proceeds via paramagnetic radical intermediates, but the structure of these intermediates and the transfer pathways for the four protons involved are not known. In this study, high-field electron paramagnetic resonance (EPR) spectroscopy of frozen solutions and single crystals of the one-electron reduced protein-substrate complex of two PcyA mutants D105N from the cyanobacteria Synechocystis sp. PCC6803 and Nostoc sp. PCC7120 are examined. Detailed analysis of Synechocystis D105N mutant spectra at 130 GHz and 406 GHz reveals a biliverdin radical with a very narrow g tensor with principal values 2.00359(5), 2.00341(5) and 2.00218(5). Using density-functional theory (DFT) computations to explore the possible protonation states of the biliverdin radical, it is shown that this g tensor is consistent with a biliverdin radical where the carbonyl oxygen atoms on both the A and the D pyrrole rings are protonated. This experimentally confirms the reaction mechanism recently proposed (Tu et al, Biochemistry 2007, 46, 1484). PMID:19159240

  11. Protein Immobilization Capabilities of Sucrose and Trehalose Glasses: The Effect of Protein/Sugar Concentration Unraveled by High-Field EPR.

    Science.gov (United States)

    Malferrari, Marco; Savitsky, Anton; Lubitz, Wolfgang; Möbius, Klaus; Venturoli, Giovanni

    2016-12-01

    Disaccharide glasses are increasingly used to immobilize proteins at room temperature for structural/functional studies and long-term preservation. To unravel the molecular basis of protein immobilization, we studied the effect of sugar/protein concentration ratios in trehalose or sucrose matrixes, in which the bacterial photosynthetic reaction center (RC) was embedded as a model protein. The structural, dynamical, and H-bonding characteristics of the sugar-protein systems were probed by high-field W-band EPR of a matrix-dissolved nitroxide radical. We discovered that RC immobilization and thermal stabilization, being independent of the protein concentration in trehalose, occur in sucrose only at sufficiently low sugar/protein ratios. EPR reveals that only under such conditions does sucrose form a microscopically homogeneous matrix that immobilizes, via H-bonds, the nitroxide probe. We conclude that the protein immobilization capability depends critically on the propensity of the glass-forming sugar to create intermolecular H-bond networks, thus establishing long-range, homogeneous connectivity within the matrix.

  12. Structural characterization and electronic properties determination by high-field and high-frequency EPR of a series of five-coordinated Mn(II) complexes.

    Science.gov (United States)

    Mantel, Claire; Baffert, Carole; Romero, Isabel; Deronzier, Alain; Pécaut, Jacques; Collomb, Marie-Noëlle; Duboc, Carole

    2004-10-04

    The isolation, structural characterization, and electronic properties of a series of high-spin mononuclear five-coordinated Mn(II) complexes, [Mn(terpy)(X)(2)] (terpy = 2, 2':6',2' '-terpyridine; X = I(-) (1), Br(-) (2), Cl(-) (3), or SCN(-) (4)), are reported. The X-ray structures of the complexes reveal that the manganese ion lies in the center of a distorted trigonal bipyramid for complexes 1, 2, and 4, while complex 3 is better described as a distorted square pyramid. The electronic properties of 1-4 were investigated by high-field and high-frequency EPR spectroscopy (HF-EPR) performed between 5 and 30 K. The powder HF-EPR spectra have been recorded in high-field-limit conditions (95-285 GHz) (D EPR experiments, the sign of D was unambiguously determined. D is positive for the iodo and bromo complexes and negative for the chloro and thiocyano ones. A structural correlation is proposed. Each complex is characterized by a significant rhombicity with E/D values between 0.17 and 0.29, reflecting the distorted geometry observed around the manganese. Finally, we compared the spin Hamiltonian parameters of our five-coordinated complexes and those previously reported for other analogous series of dihalo four- and six-coordinated complexes. The effect of the coordination number and of the geometry of the Mn(II) complexes on the spin Hamiltonian parameters is discussed.

  13. EPR study on gamma-irradiated fruits dehydrated via osmosis

    Energy Technology Data Exchange (ETDEWEB)

    Yordanov, N.D. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)]. E-mail: ndyepr@bas.bg; Aleksieva, K. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)

    2007-06-15

    The shape and time stability of the electron paramagnetic resonance (EPR) spectra of non- and {gamma}-irradiated papaya, melon, cherry and fig samples dehydrated via osmosis are reported. It is shown that non-irradiated samples are generally EPR silent whereas {gamma}-irradiated exhibit 'sugar-like' EPR spectra. The recorded EPR spectra are monitored for a period of 7 months after irradiation (stored at low humidity and in the dark). The results suggest longer period of unambiguous identification of the radiation processing of osmose dehydrated fruits. Therefore, the Protocol EN 13708,2001 issued by CEN is fully applicable for the studied fruit samples.

  14. EPR study on tomatoes before and after gamma-irradiation

    Science.gov (United States)

    Aleksieva, K.; Georgieva, L.; Tzvetkova, E.; Yordanov, N. D.

    2009-09-01

    The results from the EPR studies on fresh, air-dried and lyophilized tomato samples before and after gamma-irradiation are reported. Before irradiation fresh and air-dried tomatoes exhibit one singlet EPR line characterized with common g-factor of 2.0048±0.0005, whereas freeze-dried tomato does not show any EPR spectrum. After irradiation, a typical "cellulose-like" triplet EPR spectrum appears in all samples, attributed to cellulose free radicals, generated by gamma-irradiation. It consists of intense central line with g=2.0048±0.0005 and two weak satellite lines separated ca. 3 mT left and right of it. In air-dried and lyophilized tomatoes the "cellulose-like" EPR spectrum is superimposed by an additional partly resolved carbohydrate spectrum. Fading measurements of the radiation-induced EPR signals indicate that the intensity of the EPR spectra of air-dried and freeze-dried tomato are reduced to about 50% after 50 days, whereas those of fresh irradiated tomatoes kept at 4 °C fade completely in 15 days. The reported results unambiguously show that the presence of two satellite lines in the EPR "cellulose-like" spectra of tomato samples can be used for identification of radiation processing.

  15. EPR and NMR studies of amorphous aluminum borates

    NARCIS (Netherlands)

    Simon, S.; Pol, A. van der; Reijerse, E.J.; Kentgens, A.P.M.; Moorsel, G.J.M.P. van; Boer, E. de

    1994-01-01

    Amorphous aluminium borates, Al2(1–x)B2xO3 with O [less-than-or-eq]x[less-than-or-eq] 0.5, prepared from mixtures of aluminium nitrate, boric acid and glycerol, have been studied by EPR and 27Al MASNMR as a function of composition and heat-treatment temperature (Tt[less-than-or-eq] 860 °C). EPR

  16. EPR study on non- and gamma-irradiated herbal pills

    Science.gov (United States)

    Aleksieva, K.; Lagunov, O.; Dimov, K.; Yordanov, N. D.

    2011-06-01

    The results of EPR studies on herbal pills of marigold, hawthorn, yarrow, common balm, tutsan, nettle and thyme before and after gamma-irradiation are reported. Before irradiation all samples exhibit one weak singlet EPR line with a g-factor of 2.0048±0.0005. After irradiation herbal pills could be separated in two groups according to their EPR spectra. Radiation-induced free radicals in pills of marigold, yarrow, nettle, tutsan and thyme could be attributed mainly to saccharide excipients. Tablets of hawthorn and common balm show "cellulose-like" EPR spectrum, superimposed on partly resolved carbohydrate spectrum, due to the active part (herb) and inulin, which is present in the pills as an excipient. Fading study of the radiation-induced EPR signals confirms that sugar radicals are more stable than cellulose species. The reported results show that the presence of characteristic EPR spectra of herbal pills due to excipients or active part can be used as unambiguous proof of radiation processing within 35 or more days after irradiation.

  17. EPR study on non- and gamma-irradiated herbal pills

    Energy Technology Data Exchange (ETDEWEB)

    Aleksieva, K., E-mail: katerina_bas@abv.b [Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Lagunov, O. [Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Dimov, K. [Institute of Cryobiology and Food Technologies, 1162 Sofia (Bulgaria); Yordanov, N.D. [Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)

    2011-06-15

    The results of EPR studies on herbal pills of marigold, hawthorn, yarrow, common balm, tutsan, nettle and thyme before and after gamma-irradiation are reported. Before irradiation all samples exhibit one weak singlet EPR line with a g-factor of 2.0048{+-}0.0005. After irradiation herbal pills could be separated in two groups according to their EPR spectra. Radiation-induced free radicals in pills of marigold, yarrow, nettle, tutsan and thyme could be attributed mainly to saccharide excipients. Tablets of hawthorn and common balm show 'cellulose-like' EPR spectrum, superimposed on partly resolved carbohydrate spectrum, due to the active part (herb) and inulin, which is present in the pills as an excipient. Fading study of the radiation-induced EPR signals confirms that sugar radicals are more stable than cellulose species. The reported results show that the presence of characteristic EPR spectra of herbal pills due to excipients or active part can be used as unambiguous proof of radiation processing within 35 or more days after irradiation.

  18. Investigation of the electronic structure of the primary electron donor in bacterial photosynthesis. Measurements of the anisotropy of the electronic G-tensor using high-field/high-frequency EPR

    Energy Technology Data Exchange (ETDEWEB)

    Huber, M. [Institut fuer Organische Chemie, FU Berlin, Berlin (Germany); Toerring, J.T.; Plato, M.; Moebius, K. [Institut fuer Experimentalphysik, FU Berlin, Berlin (Germany); Fink, U.; Lubitz, W. [Max-Volmer Institut, TU Berlin, Berlin (Germany); Feick, R. [Max-Planck-Institut fuer Biochemie, Martinsried (Germany); Schenck, C.C. [Department of Biochemistry, Colorado State University, Fort Collins (United States)

    1995-08-01

    Cation radicals of the primary electron donor (D{sup +}) in bacterial photosynthesis were investigated by high field, high frequency (95 GHz) EPR. Measurements on frozen solutions of D{sup +}, a dimeric {pi}-cation radical, of various organisms (Rps. viridis, Rb. sphaeroides, Chloroflexus aurantiacus and a heterodimer mutant) are reported, revealing differences in the principal values of the G-tensor. Elements of a theory relating the magnitudes of G principal values to the electronic structure are discussed

  19. Magnetic, catalytic, EPR and electrochemical studies on binuclear ...

    Indian Academy of Sciences (India)

    Unknown

    Spectral, catalytic, magnetic, EPR and electrochemical studies have been ... attention in recent years, particularly to understand the redox function of copper ... Binuclear Cu(II) complexes with 3,4-disubstituted phenol. 3. 2.2 Materials. All solvents and reagents were obtained from commercial source. Ethanol and methanol.

  20. Electrical transport and EPR investigations: A comparative study for ...

    Indian Academy of Sciences (India)

    A detailed comparative study of electron paramagnetic resonance (EPR) in conjunction with d.c. electrical conductivity has been undertaken to know about the charge transport mechanism in polyaniline (PANI) doped with monovalent and multivalent protonic acids. This work is in continuation of our previous work for further ...

  1. Electron delocalisation in a trinuclear copper(II) complex: high-field EPR characterization and magnetic properties of Na3[Cu3(mal)3(H2O)] x 8H2O.

    Science.gov (United States)

    Gautier-Luneau, Isabelle; Phanon, Delphine; Duboc, Carole; Luneau, Dominique; Pierre, Jean-Louis

    2005-12-07

    The complex Na3[Cu3(mal)3(H2O)] x 8H2O was obtained from evaporation of an aqueous solution containing Cu(OAc)2, malic acid (HO2CCH2CHOHCO2H) and NaOH and was characterised by X-ray diffraction on single crystal, X-band and high-field EPR spectroscopy (HF-EPR) and magnetic susceptibility measurements. The trinuclear complex [Cu3(mal)3(H2O)]3- is trapped in a three-dimensional network with sodium cations. The three copper atoms are connected by alkoxo bridges and form an almost isosceles triangle with Cu...Cu distances of 3.076(1), 3.504(1) and 3.513(1) A. Two of the copper ions are also bridged by an extra aquo ligand. EPR spectroscopy combined with magnetic susceptibility measurements provide a powerful tool to resolve the electronic structure of the complex. The overall magnetic behaviour corresponds to an antiferromagnetically coupled triangular system. The 285 GHz-EPR spectrum (g = 2; 10.18 T) is characteristic of a spin state S = 1/2, with a rhombic anisotropy of [g]. This rhombic pattern allows us to propose that the electronic spin density is delocalised on the three copper ions.

  2. High-field EPR investigations of Mn(III)Mn(IV) and Mn(II)Mn(III) states of dimanganese catalase and related model systems.

    Science.gov (United States)

    Teutloff, Christian; Schäfer, Kai-Oliver; Sinnecker, Sebastian; Barynin, Vladimir; Bittl, Robert; Wieghardt, Karl; Lendzian, Friedhelm; Lubitz, Wolfgang

    2005-11-01

    Multi-frequency EPR experiments at 9, 34 and 94 GHz are reported on the antiferromagnetically coupled mixed valence Mn(II)Mn(III) complex of manganese catalase and on several dinuclear manganese model systems. They are compared with similar experiments obtained earlier for the Mn(III)Mn(IV) states. It is demonstrated how accurate information on the G- and 55Mn hyperfine tensors can be derived from this approach. Furthermore, the effect of oxidation state, planarity of the manganese-oxygen core and the type of ligands bridging the manganese ions on the magnetic resonance parameters and the related electronic structure is investigated. 'Broken-symmetry' density functional calculations on two Mn(III)Mn(IV) complexes, including the superoxidized state of the catalase, are presented. The agreement between calculated and experimental EPR parameters and complex geometries is remarkably good. Implications of these results for the structure and function of the dimanganese catalase are discussed. Copyright 2005 John Wiley & Sons, Ltd

  3. Multifrequency EPR study on freeze-dried fruits before and after X-ray irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Yordanov, N.D. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)]. E-mail: ndyepr@bas.bg; Aleksieva, K. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Dimitrova, A. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Georgieva, L. [Institute of Cryobiology and Food Technologies, 1162 Sofia (Bulgaria); Tzvetkova, E. [Institute of Cryobiology and Food Technologies, 1162 Sofia (Bulgaria)

    2006-09-15

    X-, K- and Q-band EPR studies on lyophilized whole pulp parts of blue plum, apricot, peach, melon as well as achens and pulp separately of strawberry before and after X-ray irradiation are reported. Before irradiation all samples show in X band a weak singlet EPR line with g=2.0030+/-0.0005, except melon, which is EPR silent. Immediately after irradiation all samples exhibit complex fruit-depending spectra, which decay with time and change to give, in ca. 50days, an asymmetric singlet EPR line with g=2.0041+/-0.0005. Only apricot pulp gave a typical ''sugar-like'' EPR spectrum. Singlet EPR lines recorded after irradiation in X -band are K- and Q-band resolved as typical anisotropic EPR spectra with g{sub ||}=2.0023+/-0.0003 and g{sub -}bar =2.0041+/-0.0005. In addition, K- and Q-band EPR spectra of all samples show a superposition with the six EPR lines of Mn{sup 2+} naturally present in the fruits. The saturation behavior of the EPR spectra of achens of lyophilized and fresh strawberry is also studied. The differences in g factors of samples before and after X-ray irradiation might be used for the identification of radiation processing of fruits in the case of pulp and the differences in the EPR saturation behavior might be used for the achens of strawberry.

  4. EPR study on copper- and vanadium complexes with substituted phthalocyanines

    Energy Technology Data Exchange (ETDEWEB)

    Shklyaev, A.A.; Selyutin, G.E.; Shakot' ko, N.I.; Mikhalenko, S.A. (Nauchno-Issledovatel' skij Inst. Organicheskikh Poluproduktov i Krasitelej, Moscow (USSR))

    1984-06-01

    The structure of binuclear associates of substituted vanadyl- and copper-phthalocyanines is investigated. The EPR study has shown that metal phthalocyanine protonation in acid media (CH/sub 2/Cl/sub 2/, Py, H/sub 2/SO/sub 4/, toluence, etc) is accompanied by destabilization of bonds of the central ion with a polycyclic ligand. Substituted copper- and vanadyl phthalocyanines form dimerized associates where M-M interatmic distance varies in a wide range from 4.1 to 12 A.

  5. Preliminary study for precision dosimetry using electron paramagnetic resonance (EPR) in radiotherapy applications

    Energy Technology Data Exchange (ETDEWEB)

    Shehzadi, N. N.; Kim, I. J.; Yi, C. Y. [Center for Ionizing Radiation, Korea Research for Standards and Science, Daejeon (Korea, Republic of)

    2015-10-15

    EPR (Electron paramagnetic resonance) dosimetry for radiotherapy dose range (1-10 Gy) is still being established.Alanine is an important material for EPR dosimetry because in terms of density and radiation absorption properties, it is water equivalent. High repeatability and high reproducibility of alanine spectrum measurement makes it possible to estimate the irradiation dose accurately. This baseline study has been carried out to establish precision EPR dosimetry in therapeutic photon range. For that purpose, an EPR dosimetry system has been setup and repeatability as well as reproducibility of measurements using alanine dosimeter have been evaluated. Effect of anisotropy of alanine dosimeter in spectrometer cavity has also been observed. EPR dosimetry system is set up at KRISS. It is found that reproducibility of the system at therapeutic photon range is 1.5 % - 6.6 %.

  6. High Field Studies for CLIC Accelerating Structures Development

    CERN Document Server

    Profatilova, I

    2017-01-01

    Compact Linear Collider RF structures need to be able to achieve the very high average accelerating gradient of 100 MV/m. One of the main challenges in reaching such high accelerating gradients is to avoid vacuum electrical breakdown within CLIC accelerating structures. Accelerating structure tests are carried out in the klystron-based test stands known as the XBoxes. In order to investigate vacuum breakdown phenomena and its statistical characteristics in a simpler system and get results in a faster way, pulsed dc systems have been developed at CERN. To acquire sufficient breakdown data in a reasonable period of time, high repetition rate pulse generators are used in the systems for breakdown studies, so-called pulsed dc system. This paper describes the pulsed dc systems and the two high repetition rate circuits, which produce high-voltage pulses for it, available at CERN.

  7. Multifrequency Pulsed EPR Studies of Biologically Relevant Manganese(II) Complexes

    OpenAIRE

    Stich, T. A.; Lahiri, S.; Yeagle, G.; Dicus, M.; Brynda, M.; Gunn, A; Aznar, C.; DeRose, V.J.; Britt, R. D.

    2007-01-01

    Electron paramagnetic resonance studies at multiple frequencies (MF EPR) can provide detailed electronic structure descriptions of unpaired electrons in organic radicals, inorganic complexes, and metalloenzymes. Analysis of these properties aids in the assignment of the chemical environment surrounding the paramagnet and provides mechanistic insight into the chemical reactions in which these systems take part. Herein, we present results from pulsed EPR studies performed at three different fre...

  8. Structural and magnetic properties of Mn(III) and Cu(II) tetranuclear azido polyoxometalate complexes: multifrequency high-field EPR spectroscopy of Cu4 clusters with S = 1 and S = 2 ground states.

    Science.gov (United States)

    Mialane, Pierre; Duboc, Carole; Marrot, Jérôme; Rivière, Eric; Dolbecq, Anne; Sécheresse, Francis

    2006-02-20

    Two new azido-bridged polyoxometalate compounds were synthesized in acetonitrile/methanol media and their molecular structures have been determined by X-ray crystallography. The [[(gamma-SiW10O36)Mn2(OH)2(N3)(0.5)(H2O)(0.5)]2(mu-1,3-N3)](10-) (1 a) tetranuclear Mn(III) complex, in which an end-to-end N3- ligand acts as a linker between two [(gamma-SiW10O36)Mn2(OH)2]4- units, represents the first manganese-azido polyoxometalate. The magnetic properties have been studied considering the spin Hamiltonian H = -J1(S1S2+S1*S2*)-J2(S1S1*), showing that antiferromagnetic interactions between the paramagnetic centers (g = 1.98) occur both through the di-(mu-OH) bridge (J1 = -25.5 cm(-1)) and the mu-1,3-azido bridge (J2 = -19.6 cm(-1)). The [(gamma-SiW10O36)2Cu4(mu-1,1,1-N3)2(mu-1,1-N3)2]12- (2 a) tetranuclear Cu(II) complex consists of two [gamma-SiW10O36Cu2(N3)2]6- subunits connected through the two mu-1,1,1-azido ligands, the four paramagnetic centers forming a lozenge. The magnetic susceptibility data have been fitted. This reveals ferromagnetic interactions between the four Cu(II) centers, leading to an S=2 ground state (H = -J1(S1S2+S1*S2*)-J2(S2S2*), J1 = +294.5 cm(-1), J2 = +1.6 cm(-1), g = 2.085). The ferromagnetic coupling between the Cu(II) centers in each subunit is the strongest ever observed either in a polyoxometalate compound or in a diazido-bridged Cu(II) complex. Considering complex 2 a and the previously reported basal-basal di-(mu-1,1-N3)-bridged Cu(II) complexes in which the metallic centers are not connected by other magnetically coupling ligands, the linear correlation J1 = 2639.5-24.95*theta(av) between the theta(av) bridging angle and the J1 coupling parameter has been proposed. The electronic structure of complex 2 a has also been investigated by using multifrequency high-field electron paramagnetic resonance (HF-EPR) spectroscopy between 95 and 285 GHz. The spin Hamiltonian parameters of the S = 2 ground state (D = -0.135(2) cm(-1), E = -0

  9. EPR and optical absorption spectral studies on sphalerite mineral

    Science.gov (United States)

    Seshamaheswaramma, K.; Reddy, G. Udayabhaskara; Reddy, A. Varada; Lakshmi Reddy, S.; Frost, R. L.; Endo, Tamio

    2011-10-01

    The mineral sphalerite (Zn,Fe)S has been characterized by a combination of X-ray diffraction, EPR and NIR spectroscopy. The optical absorption spectrum of mineral sphalerite is due to an iron impurity only, which is in a distorted octahedral environment. The g = 2.2 is attributed to iron and g and A value observed in the spectrum 1.999 and 6.0 mT are assigned to Mn(II) impurity in the mineral. These results indicate that iron and Mn(II) impurity have entered the lattice by substitution. The EPR results confirm the presence of manganese in a distorted octahedral environment. It is evident from the chemical analysis that iron is present in higher concentrations. NIR results are due to the presence of water and sulphide fundamentals which also support the formula of the mineral. No sulphate in the sphalerite mineral was observed.

  10. Studies on the reliability of high-field intra-operative MRI in brain glioma resection

    Directory of Open Access Journals (Sweden)

    Zhi-jun SONG

    2011-07-01

    Full Text Available Objective To evaluate the reliability of high-field intra-operative magnetic resonance imaging(iMRI in detecting the residual tumors during glioma resection.Method One hundred and thirty-one cases of brain glioma(69 males and 62 females,aged from 7 to 79 years with mean of 39.6 years hospitalized from Nov.2009 to Aug.2010 were involved in present study.All the patients were evaluated using magnetic resonance imaging(MRI before the operation.The tumors were resected under conventional navigation microscope,and the high-field iMRI was used for all the patients when the operators considered the tumor was satisfactorily resected,while the residual tumor was difficult to detect under the microscope,but resected after being revealed by high-field iMRI.Histopathological examination was performed.The patients without residual tumors recieved high-field MRI scan at day 4 or 5 after operation to evaluate the accuracy of high-field iMRI during operation.Results High quality intra-operative images were obtained by using high-field iMRI.Twenty-eight cases were excluded because their residual tumors were not resected due to their location too close to functional area.Combined with the results of intra-operative histopathological examination and post-operative MRI at the early recovery stage,the sensitivity of high-field iMRI in residual tumor diagnosis was 98.0%(49/50,the specificity was 94.3%(50/53,and the accuracy was 96.1%(99/103.Conclusion High-quality intra-operative imaging could be acquired by high-field iMRI,which maybe used as a safe and reliable method in detecting the residual tumors during glioma resection.

  11. EPR study of spermine interaction with multilamellar phosphatidylcholine liposomes.

    Science.gov (United States)

    Momo, F; Wisniewska, A; Stevanato, R

    1995-11-22

    The interaction of spermine with egg-yolk phosphatidylcholine liposomes was investigated. The EPR spin labeling technique evidenced that spermine induces modifications of some membrane functions of biological interest like water permeability and is a possible modulator of diffusion processes for charged and polar molecules. The association constant for a hypothesized complex between spermine and the phosphate group of phosphatidylcholine was evaluated by enzymatic methods.

  12. EPR and UV spectral study of gamma-irradiated white and burned sugar, fructose and glucose

    Science.gov (United States)

    Yordanov, Nicola D.; Georgieva, Elka

    2004-05-01

    The EPR and UV spectral properties of γ-irradiated white and burned sugar, fructose and glucose are studied with the accent on their suitability as dosimetric materials. It is shown that γ-irradiation of solid samples of white sugar and fructose yields stable EPR spectra whereas glucose signal remains time-dependent even 11 months later. Sugar and glucose exhibit linear EPR dose response in the region 0.44-21 kGy and fructose only up to ca. 10 kGy. The relative radiation sensitivity obtained for sugar and fructose is up to 10 kGy and slightly lower for glucose. Burned saccharides provide 2-3 orders of magnitude lower EPR radiation sensitivity making them not suitable for the proposed designation. According to the UV spectra water solutions of γ-irradiated solid white saccharides show well pronounced absorption bands at 267 and 286 nm for sugar and fructose with time-dependent intensities reaching steady values ca. 11 days after dissolution. The intensities of these absorption bands are in linear relation with the absorbed dose of γ-radiation. Glucose shows low sensitively because irradiation with 5.5 kGy yields only a shoulder at about 260-280 nm with decreasing to ca. 40% intensity in the first few days after dissolution. Excellent correlation between the intensities of the EPR- and UV-absorbed dose response is found for sugar and fructose in the region 0.44-10 kGy. This opens new possibilities for independent calibration the EPR dose response. Finally, the comparison suggests sugar as the best, universal material for EPR- and/or UV-dosimetry in the region 0.44-160 kGy.

  13. EPR study of deoxygenated high-temperature superconductors

    Indian Academy of Sciences (India)

    Abstract. High-Tc superconductors are EPR silent but on a little deoxygenation of the high-Tc materials and their constituents, they yield rich but complex spectra. Spectra of (1) CuO, (2) BaCuO2,. (3) CaCuO2, (4) Y2Cu2O5, (5) La2CuO4, (6) La2−x Mx CuO4 (M = Sr, Ba), (7) Y based-123, (8) Bi based-2201, 2212, 2223, ...

  14. Harmonization of dosimetric information obtained by different EPR methods: Experience of the Techa river study

    Energy Technology Data Exchange (ETDEWEB)

    Volchkova, A. [Urals Research Center for Radiation Medicine, 68A, Vorovsky Str., 454076 Chelyabinsk (Russian Federation); Shishkina, E.A., E-mail: ElenaA.Shishkina@gmail.com [Urals Research Center for Radiation Medicine, 68A, Vorovsky Str., 454076 Chelyabinsk (Russian Federation); Ivanov, D. [Institute of Metal Physics, Russian Academy of Sciences, 18, S. Kovalevskoy Str., 620041 Yekaterinburg (Russian Federation); Timofeev, Yu. [Urals Research Center for Radiation Medicine, 68A, Vorovsky Str., 454076 Chelyabinsk (Russian Federation); Fattibene, P.; Della Monaca, S. [Istituto Superiore di Sanita and Istituto Nazionale di Fisica Nucleare, Viale Regina Elena 299, 00161 Rome (Italy); Wieser, A. [Helmholtz Zentrum Muenchen, German Research Centre for Environmental Health, D-85764 Neuherberg (Germany); Degteva, M.O. [Urals Research Center for Radiation Medicine, 68A, Vorovsky Str., 454076 Chelyabinsk (Russian Federation)

    2011-09-15

    Between 1949 and 1956 the Techa River (Southern Urals, Russia) was contaminated as a result of releases of radioactive waste by the Mayak Production Association. EPR dosimetry with tooth enamel has been used to estimate the external exposure of Techa riverside residents over the last 17 years. The database 'Tooth' of the Urals Research Center for Radiation Medicine (URCRM) has accumulated about 1000 EPR measurements of tooth enamel from the rural population of the Urals region. The teeth were investigated by laboratories of Russia, USA, Germany and Italy. Most of the enamel samples were measured several times in different laboratories. Each laboratory used different equipment and its own methods for sample preparation and EPR spectra analysis. Even measurements performed at the same laboratory over 10-15 years may not be assumed as uniform: methods change with time, and equipment is subject to aging. These two factors influenced EPR performance. The purpose of this study is, therefore, the harmonization of EPR data accumulated during long-term dosimetric investigations in the Southern Urals for further pooled analysis. The results will be used for external dose evaluation in the Techa River region.

  15. EPR and optical absorption studies on VO 2+ ions in calcium fumarate trihydrate single crystals

    Science.gov (United States)

    Kripal, Ram; Mishra, Indrajeet; Gupta, S. K.; Arora, Manju

    2010-01-01

    Electron Paramagnetic Resonance (EPR) studies of VO 2+ ions in calcium fumarate trihydrate single crystals have been done at room temperature. EPR analysis indicates the presence of two magnetically inequivalent VO 2+ sites. For the two sites the spin Hamiltonian parameters are, Site I: g x = 1.9689 ,g y = 2.0087 ,g z = 1.9344, A x = 73 ,A y = 88 ,A z = 202; Site II: g x = 1.9675 ,g y = 2.0100 ,g z = 1.9346 ,A x = 75 ,A y = 90, A z = 206 (×10 -4) cm -1. The optical absorption study is also carried out at room temperature. By correlating EPR and optical data the nature of bonding in the crystal is discussed. The three-line superhyperfine structure has been attributed to two protons.

  16. EPR and optical absorption studies on manganese ion doped in mixed alkali cadmium phosphate glasses

    Science.gov (United States)

    Giridhar, G.; Rangacharyulu, M.; Ravikumar, R. V. S. S. N.; Sambasiva Rao, P.

    2009-07-01

    Electron paramagnetic resonance (EPR) spectra of Mn(II) ions in cadmium phosphate glasses are presented with mixed alkali variation as xLi2O + (20 - x) Na2O + 20 CdO + 59.5 P2O5 + 0.5 MnO glass system with 5 EPR spectra of Mn(II) ions doped samples exhibit a sextet centered at g = 2·0. The optical absorption spectrum at room temperature shows three bands for Mn(II) ions in octahedral symmetry. The crystal field (Dq) and Racah parameters (B and C) are evaluated. From EPR and optical spectral studies reveals the nature of the bonding is dominantly ionic and its site symmetry is octahedral. At equal composition of alkali content, i.e. for x = 10 the glass system shows the mixed alkali effect.

  17. Optical and EPR studies of iron bearing phosphate minerals: satterlyite and gormanite from Yukon Territory, Canada

    Science.gov (United States)

    Chandrasekhar, A. V.; Ramanaiah, M. Venkata; Reddy, B. J.; Reddy, Y. P.; Rao, P. S.; Ravikumar, R. V. S. S. N.

    2003-07-01

    The iron phosphate minerals satterlyite and gormanite have been investigated by EPR and optical absorption studies. The optical results indicate the presence of ferrous and ferric ions in both minerals. In gormanite the site symmetry of Fe(III) is near octahedral whereas in satterlyite it is tetragonally distorted. On the other hand, the Fe(II) ions are in tetragonally distorted octahedral site in both minerals. In satterlyite the EPR results indicate the presence of the ferric ion in a tetragonally distorted state together with a small percentage of Mn(II). Crystal field (Dq) and interelectronic parameters (B and C) are evaluated.

  18. Characterization of KCNE1 inside Lipodisq Nanoparticles for EPR Spectroscopic Studies of Membrane Proteins.

    Science.gov (United States)

    Sahu, Indra D; Zhang, Rongfu; Dunagan, Megan M; Craig, Andrew F; Lorigan, Gary A

    2017-06-01

    EPR spectroscopic studies of membrane proteins in a physiologically relevant native membrane-bound state are extremely challenging due to the complexity observed in inhomogeneity sample preparation and dynamic motion of the spin-label. Traditionally, detergent micelles are the most widely used membrane mimetics for membrane proteins due to their smaller size and homogeneity, providing high-resolution structure analysis by solution NMR spectroscopy. However, it is often difficult to examine whether the protein structure in a micelle environment is the same as that of the respective membrane-bound state. Recently, lipodisq nanoparticles have been introduced as a potentially good membrane mimetic system for structural studies of membrane proteins. However, a detailed characterization of a spin-labeled membrane protein incorporated into lipodisq nanoparticles is still lacking. In this work, lipodisq nanoparticles were used as a membrane mimic system for probing the structural and dynamic properties of the integral membrane protein KCNE1 using site-directed spin labeling EPR spectroscopy. The characterization of spin-labeled KCNE1 incorporated into lipodisq nanoparticles was carried out using CW-EPR titration experiments for the EPR spectral line shape analysis and pulsed EPR titration experiment for the phase memory time (Tm) measurements. The CW-EPR titration experiment indicated an increase in spectral line broadening with the addition of the SMA polymer which approaches close to the rigid limit at a lipid to polymer weight ratio of 1:1, providing a clear solubilization of the protein-lipid complex. Similarly, the Tm titration experiment indicated an increase in Tm values with the addition of SMA polymer and approaches ∼2 μs at a lipid to polymer weight ratio of 1:2. Additionally, CW-EPR spectral line shape analysis was performed on six inside and six outside the membrane spin-label probes of KCNE1 in lipodisq nanoparticles. The results indicated significant

  19. Single crystal EPR studies of Mn (II) doped into zinc ammonium ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 62; Issue 1. Single crystal EPR studies of Mn(II) doped into zinc ammonium phosphate hexahydrate (ZnNH4PO4⋅6H2O): A case of interstitial site for bio-mineral analogue. H Anandalakshmi K Velavan I Sougandi Venkatesan P Sambasiva Rao. Research Articles ...

  20. single crystal EPR studies of Mn(II) doped into zinc ammonium ...

    Indian Academy of Sciences (India)

    -sulphato-aquotris(imidazole) cadmium(II), the paramagnetic ion enters substi- tutionally into the host lattice giving rise to two magnetically inequivalent sites. [9]. single crystal EPR study of Mn(II)-doped magnesium bis(hydrogen maleate) hexahydrate confirms that the impurity ion not only occupies the magnesium site.

  1. Single crystal EPR study of VO (II)-doped cadmium potassium ...

    Indian Academy of Sciences (India)

    Single crystal EPR studies of VO(II)-doped cadmium potassium phosphate hexahydrate (CPPH) have been carried out at room temperature. The angular variation spectra in the three orthogonal planes indicate that the paramagnetic impurity has entered the lattice only substitutionally in place of Cd(II). Spin Hamiltonian ...

  2. Multifrequency Pulsed EPR Studies of Biologically Relevant Manganese(II) Complexes.

    Science.gov (United States)

    Stich, T A; Lahiri, S; Yeagle, G; Dicus, M; Brynda, M; Gunn, A; Aznar, C; Derose, V J; Britt, R D

    2007-03-01

    Electron paramagnetic resonance studies at multiple frequencies (MF EPR) can provide detailed electronic structure descriptions of unpaired electrons in organic radicals, inorganic complexes, and metalloenzymes. Analysis of these properties aids in the assignment of the chemical environment surrounding the paramagnet and provides mechanistic insight into the chemical reactions in which these systems take part. Herein, we present results from pulsed EPR studies performed at three different frequencies (9, 31, and 130 GHz) on [Mn(II)(H(2)O)(6)](2+), Mn(II) adducts with the nucleotides ATP and GMP, and the Mn(II)-bound form of the hammerhead ribozyme (MnHH). Through line shape analysis and interpretation of the zero-field splitting values derived from successful simulations of the corresponding continuous-wave and field-swept echo-detected spectra, these data are used to exemplify the ability of the MF EPR approach in distinguishing the nature of the first ligand sphere. A survey of recent results from pulsed EPR, as well as pulsed electron-nuclear double resonance and electron spin echo envelope modulation spectroscopic studies applied to Mn(II)-dependent systems, is also presented.

  3. Model compounds of humic acid and oxovanadium cations. Potentiometric titration and EPR spectroscopy studies

    Directory of Open Access Journals (Sweden)

    Mercê Ana Lucia Ramalho

    1999-01-01

    Full Text Available The stability constants and the isotropic EPR parameters Ao (hyperfine splitting constant and g o (g value were obtained by potentiometric titrations and EPR spectroscopy, respectively, of 85%v/v aqueous solutions of model compounds of humic acids - salicylic acid (SALA - and both nitrohumic acids, a laboratory artifact - nitrosalicylic acids, 3-nitrosalicylic acid (3-NSA, 5-nitrosalicylic acid (5-NSA and 3,5-dinitrosalicylic acid (3,5-DNSA and oxovanadium cations. It was possible to record EPR spectra of those model compounds and the ion VO2+ (V(IV, and the stability constants were obtained from a solution of VO3+ (V(V, the values for the logarithms of the stability constants ranging from 12.77 ± 0.04 to 7.06 ± 0.05 for the species ML, and from 9.90 ±0.04 to 4.06 ± 0.05 for the species ML2 according to the decrease in the acidity of the carboxylic and the hydroxyl groups in the aromatic ring of the model compounds studied as the -NO2 substituents were added. Species distribution diagrams were also obtained for the equilibria studied. The EPR parameters showed that as the logarithm of the overall stability constants increase, g o values also increase, while Ao values show a tendency to decrease.

  4. VO2+ ions in zinc lead borate glasses studied by EPR and optical absorption techniques.

    Science.gov (United States)

    Prakash, P Giri; Rao, J Lakshmana

    2005-09-01

    Electron paramagnetic resonance (EPR) and optical absorption spectra of vanadyl ions in zinc lead borate (ZnO-PbO-B2O3) glass system have been studied. EPR spectra of all the glass samples exhibit resonance signals characteristic of VO2+ ions. The values of spin-Hamiltonian parameters indicate that the VO2+ ions in zinc lead borate glasses were present in octahedral sites with tetragonal compression and belong to C4V symmetry. The spin-Hamiltonian parameters g and A are found to be independent of V2O5 content and temperature but changing with ZnO content. The decrease in Deltag( parallel)/Deltag( perpendicular) value with increase in ZnO content indicates that the symmetry around VO2+ ions is more octahedral. The decrease in intensity of EPR signal above 10 mol% of V2O5 is attributed to a fall in the ratio of the number of V4+ ions (N4) to the number of V5+ ions (N5). The number of spins (N) participating in resonance was calculated as a function of temperature for VO2+ doped zinc lead borate glass sample and the activation energy was calculated. From the EPR data, the paramagnetic susceptibility was calculated at various temperatures and the Curie constant was evaluated from the 1/chi-T graph. The optical absorption spectra show single absorption band due to VO2+ ions in tetragonally distorted octahedral sites.

  5. Membrane remodeling by amyloidogenic and non-amyloidogenic proteins studied by EPR

    Science.gov (United States)

    Varkey, Jobin; Langen, Ralf

    2017-07-01

    The advancement in site-directed spin labeling of proteins has enabled EPR studies to expand into newer research areas within the umbrella of protein-membrane interactions. Recently, membrane remodeling by amyloidogenic and non-amyloidogenic proteins has gained a substantial interest in relation to driving and controlling vital cellular processes such as endocytosis, exocytosis, shaping of organelles like endoplasmic reticulum, Golgi and mitochondria, intracellular vesicular trafficking, formation of filopedia and multivesicular bodies, mitochondrial fusion and fission, and synaptic vesicle fusion and recycling in neurotransmission. Misregulation in any of these processes due to an aberrant protein (mutation or misfolding) or alteration of lipid metabolism can be detrimental to the cell and cause disease. Dissection of the structural basis of membrane remodeling by proteins is thus quite necessary for an understanding of the underlying mechanisms, but it remains a formidable task due to the difficulties of various common biophysical tools in monitoring the dynamic process of membrane binding and bending by proteins. This is largely since membranes generally complicate protein structure analysis and this problem is amplified for structural analysis in the presence of different types of membrane curvatures. Recent EPR studies on membrane remodeling by proteins show that a significant structural information can be generated to delineate the role of different protein modules, domains and individual amino acids in the generation of membrane curvature. These studies also show how EPR can complement the data obtained by high resolution techniques such as X-ray and NMR. This perspective covers the application of EPR in recent studies for understanding membrane remodeling by amyloidogenic and non-amyloidogenic proteins that is useful for researchers interested in using or complimenting EPR to gain better understanding of membrane remodeling. We also discuss how a single

  6. Multifrequency EPR Studies of Manganese Catalases Provide a Complete Description of Proteinaceous Nitrogen Coordination

    OpenAIRE

    Stich, Troy A.; Whittaker, James W.; Britt, R. David

    2010-01-01

    Pulse electron paramagnetic resonance (EPR) spectroscopy is employed at two very different excitation frequencies, 9.77 and 30.67 GHz, in the study of the nitrogen coordination environment of the Mn(III)Mn(IV) state of the dimanganese-containing catalases from Lactobacillus plantarum and Thermus thermophilus. Consistent with previous studies, the lower-frequency results reveal one unique histidine nitrogen-Mn cluster interaction. For the first time, a second, more strongly hyperfine-coupled 1...

  7. X-ray absorption spectroscopy and EPR studies of oriented spinach thylakoid preparations

    Energy Technology Data Exchange (ETDEWEB)

    Andrews, J.C. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley Lab., CA (United States). Structural Biology Div.

    1995-08-01

    In this study, oriented Photosystem II (PS II) particles from spinach chloroplasts are studied with electron paramagnetic resonance (EPR) and x-ray absorption spectroscopy (XAS) to determine more details of the structure of the oxygen evolving complex (OEC). The nature of halide binding to Mn is also studied with Cl K-edge and Mn EXAFS (extended x-ray absorption fine structure) of Mn-Cl model compounds, and with Mn EXAFS of oriented PS II in which Br has replaced Cl. Attention is focused on the following: photosynthesis and the oxygen evolving complex; determination of mosaic spread in oriented photosystem II particles from signal II EPR measurement; oriented EXAFS--studies of PS II in the S{sub 2} state; structural changes in PS II as a result of treatment with ammonia: EPR and XAS studies; studies of halide binding to Mn: Cl K-edge and Mn EXAFS of Mn-Cl model compounds and Mn EXAFS of oriented Br-treated photosystem II.

  8. EPR, optical and superposition model study of Mn2+ doped L+ glutamic acid

    Science.gov (United States)

    Kripal, Ram; Singh, Manju

    2015-12-01

    Electron paramagnetic resonance (EPR) study of Mn2+ doped L+ glutamic acid single crystal is done at room temperature. Four interstitial sites are observed and the spin Hamiltonian parameters are calculated with the help of large number of resonant lines for various angular positions of external magnetic field. The optical absorption study is also done at room temperature. The energy values for different orbital levels are calculated, and observed bands are assigned as transitions from 6A1g(s) ground state to various excited states. With the help of these assigned bands, Racah inter-electronic repulsion parameters B = 869 cm-1, C = 2080 cm-1 and cubic crystal field splitting parameter Dq = 730 cm-1 are calculated. Zero field splitting (ZFS) parameters D and E are calculated by the perturbation formulae and crystal field parameters obtained using superposition model. The calculated values of ZFS parameters are in good agreement with the experimental values obtained by EPR.

  9. EPR Oximetry Sensor-Developing a TAM Derivative for In Vivo Studies.

    Science.gov (United States)

    Boś-Liedke, Agnieszka; Walawender, Magdalena; Woźniak, Anna; Flak, Dorota; Gapiński, Jacek; Jurga, Stefan; Kucińska, Małgorzata; Plewiński, Adam; Murias, Marek; Elewa, Marwa; Lampp, Lisa; Imming, Peter; Tadyszak, Krzysztof

    2017-09-04

    Oxygenation is one of the most important physiological parameters of biological systems. Low oxygen concentration (hypoxia) is associated with various pathophysiological processes in different organs. Hypoxia is of special importance in tumor therapy, causing poor response to treatment. Triaryl methyl (TAM) derivative radicals are commonly used in electron paramagnetic resonance (EPR) as sensors for quantitative spatial tissue oxygen mapping. They are also known as magnetic resonance imaging (MRI) contrast agents and fluorescence imaging compounds. We report the properties of the TAM radical tris(2,3,5,6-tetrachloro-4-carboxy-phenyl)methyl, (PTMTC), a potential multimodal (EPR/fluorescence) marker. PTMTC was spectrally analyzed using EPR and characterized by estimation of its sensitivity to the oxygen in liquid environment suitable for intravenous injection (1 mM PBS, pH = 7.4). Further, fluorescent emission of the radical was measured using the same solvent and its quantum yield was estimated. An in vitro cytotoxicity examination was conducted in two cancer cell lines, HT-29 (colorectal adenocarcinoma) and FaDu (squamous cell carcinoma) and followed by uptake studies. The stability of the radical in different solutions (PBS pH = 7.4, cell media used for HT-29 and FaDu cells culturing and cytotoxicity procedure, full rat blood and blood plasma) was determined. Finally, a primary toxicity test of PTMTC was carried out in mice. Results of spectral studies confirmed the multimodal properties of PTMTC. PTMTC was demonstrated to be not absorbed by cancer cells and did not interfere with luciferin-luciferase based assays. Also in vitro and in vivo tests showed that it was non-toxic and can be freely administrated till doses of 250 mg/kg BW via both i.v. and i.p. injections. This work illustrated that PTMTC is a perfect candidate for multimodal (EPR/fluorescence) contrast agent in preclinical studies.

  10. Multifrequency EPR studies of manganese catalases provide a complete description of proteinaceous nitrogen coordination.

    Science.gov (United States)

    Stich, Troy A; Whittaker, James W; Britt, R David

    2010-11-18

    Pulse electron paramagnetic resonance (EPR) spectroscopy is employed at two very different excitation frequencies, 9.77 and 30.67 GHz, in the study of the nitrogen coordination environment of the Mn(III)Mn(IV) state of the dimanganese-containing catalases from Lactobacillus plantarum and Thermus thermophilus. Consistent with previous studies, the lower-frequency results reveal one unique histidine nitrogen-Mn cluster interaction. For the first time, a second, more strongly hyperfine-coupled (14)N atom is unambiguously observed through the use of higher frequency/higher field EPR spectroscopy. The low excitation frequency spectral features are rationalized as arising from the interaction of a histidine nitrogen that is bound to the Mn(IV) ion, and the higher excitation frequency features are attributed to the histidine nitrogen bound to the Mn(III) ion. These results allow for the computation of intrinsic hyperfine coupling constants, which range from 2.2 to 2.9 MHz, for sp(2)-hybridized nitrogens coordinating equatorially to high-valence Mn ions. The relevance of these findings is discussed in the context of recent results from analogous higher frequency EPR studies of the Mn cluster in photosystem II and other exchange-coupled, transition metal-containing systems.

  11. 240 GHz EPR Studies of Intrinsic Defects in 4H SiC

    Science.gov (United States)

    Konovalov, V. V.; Zvanut, M. E.; van Tol, J.; Brunel, L.-C.

    2002-03-01

    Intrinsic defects may strongly influence the conductivity and optical behavior of SiC. Several groups have reported 9.5 GHz EPR studies of a carbon vacancy in electron irradiated p-type and as-grown nominally semi-insulating SiC. Recently, Son et al. interpreted two lines in a 95 GHz EPR spectrum as a carbon vacancy and silicon antisite. We report 240 GHz EPR studies of intrinsic defects in as-grown 4H SiC provided by Cree Inc. The ID-1 line we observed earlier at 9.5 GHz and assigned to a carbon vacancy was resolved at 240 GHz into two lines, ID-1a and ID-1b. As the temperature decreased from 80 to 4 K, with H//c-axis the g-value of ID-1a remained constant at 2.00307, but the g-value of ID-1b decreased from 2.00272 to 2.00235. Concomitantly, the intensity of ID-1a decreased while that of ID-1b increased. Although our data are close to Son’s 95 GHz spectrum, preliminary interpretation of the highly resolved lines obtained at 240 GHz does not suggest a silicon antisite. Illumination with IR light quenches both ID-1a and ID-1b simultaneously, indicating close defect levels. The work is supported by the ONR.

  12. High-field CW electron paramagnetic resonance spectroscopy with Gd(III) tags for structure-dynamics studies of proteorhodopsin

    Science.gov (United States)

    Clayton, Jessica A.; Han, Chung-Ta; Wilson, C. Blake; Qi, Mian; Godt, Adelheid; Goldfarb, Daniella; Sherwin, Mark S.; Han, Songi

    Proteorhodopsin (PR) is a seven-helical transmembrane protein that functions as a light-activated proton pump. Much of the structure of PR has been mapped by solution-state NMR and X-ray crystallography, however it remains difficult to study protein associations and conformational changes. Here we report development of 240 GHz CW electron paramagnetic resonance (EPR) as a tool to determine inter- and intra-protein distances in the range of 1-4 nm under biologically relevant conditions, using S = 7/2 Gd(III)-based complexes as an EPR-active paramagnetic tag. The dipolar coupling between Gd(III) pairs is determined via the width of the central transition in the CW EPR spectrum, allowing for the inference of an interspin distance. Proof-of-principle experiments are demonstrated on Gd-ruler molecules, from cryogenic temperatures up to room temperature. First results applying this method to inter-protein measurement of Gd(III) tagged PR oligomers reveals distances consistent with the penta- or hexameric organization determined by crystal structure. Finally, we present progress towards development of measurement methods that will enable observation of light-induced conformational changes in the EF-loop region of PR at temperatures above the protein dynamical transition. This work is supported by NSF MCB-1617025 and NSF MCB-1244651.

  13. EPR study of gamma-irradiated amphi-phenylglyoxime single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dereli, O., E-mail: odereli@selcuk.edu.t [A. Kelesoglu Education Faculty, Department of Physics, Selcuk University, Meram, 42090, Konya (Turkey); Tuerkkan, E. [A. Kelesoglu Education Faculty, Department of Physics, Selcuk University, Meram, 42090, Konya (Turkey); Ozmen, A.; Yueksel, H. [Science Faculty, Department of Physics, Selcuk University, Selcuklu, 42079, Konya (Turkey)

    2011-06-15

    Gamma-irradiated single crystals of Amphi-phenylglyoxime (APGO) were investigated using electron paramagnetic resonance (EPR) at different orientations in a magnetic field at room temperature (298 K). Considering the chemical structure and the experimental spectra of the irradiated single-crystals of APGO, we assumed that two different paramagnetic species, labeled as R{sup *} and R{sup **}, are either two iminoxy radicals formed by the abstraction of a H atom from different oxime branches or are different conformations of an iminoxy radical. Pursuant to this assumption, RA- and RB-type iminoxy radicals were modeled by the abstraction of H atoms from different oxime branches, and conformational analysis of these modeled radicals was performed using the semi-empirical AM1 and B3LYP/6-31+G(d,p) methods. EPR parameters were calculated for the modeled radicals using the B3LYP method and EPR-III basis set. Theoretically calculated values of the most stable conformers (RA-1 and RB-1) of the modeled radicals are in good agreement with the experimental EPR parameters determined from the spectra (differences in isotropic hyperfine coupling constant values <5%, and differences in isotropic g values fall into 1 ppt). Thus, from the findings of the present study, we strongly suggest that the experimentally observed R{sup *} and R{sup **} radicals in the single crystal of amphi-phenylglyoxime are the most stable conformers of RA- and RB-type modeled iminoxy radicals, respectively. The experimental g factors and hyperfine coupling constants were found to be anisotropic, with average values of g=2.0052, A({sup 14}N)=29.50 G, A({sup 1}H)=25.30 G for R{sup *}, and g=2.0057, A({sup 14}N)=34.50 G for R{sup **}.

  14. Photochemistry of naphthalene diimides: EPR study of free radical formation via photoredox process.

    Science.gov (United States)

    Reszka, Krzysztof J; Takayama, Masami; Sik, Robert H; Chignell, Colin F; Saito, Isao

    2005-01-01

    Earlier studies have shown that on exposure to UVA, hydroperoxynaphthalene diimide (IA) generates hydroxyl radicals, induces DNA strand scission, and kills cells. Here we employed electron paramagnetic resonance (EPR) and spin trapping to investigate the free radical photochemistry of IA and that of related naphthalene diimides, which are devoid of the hydroperoxyl moiety (N,N'-bis[2-methyl]-1,4,5,8-naphthaldiimide [IB], N,N'-bis[2-thiomethyl-2-methoxyethyl]-1,4,5,8-naphthaldiimide [IC]) and therefore are unable to generate hydroxyl radicals. It is shown that on UV irradiation (>300 nm) in air-free methanol or ethanol solutions all these naphthalene diimides undergo one-electron reduction to corresponding anion radicals, positively identified by EPR. With EPR and a spin trap 5,5-dimethyl-1-pyrroline N-oxide (DMPO), we found that the photogeneration of the naphthalene diimide radicals is concomitant with the formation of radicals from the solvents, presumably through electron/hydrogen atom abstraction by photoactivated diimides. Irradiation of IA, IB or IC in the presence of oxygen generates superoxide, which was detected as a DMPO adduct. The high photoreactivity of IB and IC supports the notion that hydroperoxide IA can induce oxidative damage via photoprocesses that are independent of *OH generation. These observations could be pertinent to the application of naphthalene diimides as selective photonucleases, PDT anticancer agents or both.

  15. Applications of pulsed EPR spectroscopy to structural studies of sulfite oxidizing enzymes

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Eric L.; Astashkin, Andrei V.; Raitsimring, Arnold M.; Enemark, John H.

    2013-01-01

    Sulfite oxidizing enzymes (SOEs), including sulfite oxidase (SO) and bacterial sulfite dehydrogenase (SDH), catalyze the oxidation of sulfite (SO32-) to sulfate (SO42-). The active sites of SO and SDH are nearly identical, each having a 5-coordinate, pseudo-square-pyramidal Mo with an axial oxo ligand and three equatorial sulfur donor atoms. One sulfur is from a conserved Cys residue and two are from a pyranopterindithiolene (molybdopterin, MPT) cofactor. The identity of the remaining equatorial ligand, which is solvent-exposed, varies during the catalytic cycle. Numerous in vitro studies, particularly those involving electron paramagnetic resonance (EPR) spectroscopy of the Mo(V) states of SOEs, have shown that the identity and orientation of this exchangeable equatorial ligand depends on the buffer pH, the presence and concentration of certain anions in the buffer, as well as specific point mutations in the protein. Until very recently, however, EPR has not been a practical technique for directly probing specific structures in which the solvent-exposed, exchangeable ligand is an O, OH-, H2O, SO32-, or SO42- group, because the primary O and S isotopes (16O and 32S) are magnetically silent (I = 0). This review focuses on the recent advances in the use of isotopic labeling, variable-frequency high resolution pulsed EPR spectroscopy, synthetic model compounds, and DFT calculations to elucidate the roles of various anions, point mutations, and steric factors in the formation, stabilization, and transformation of SOE active site structures.

  16. EPR study of the formation of radicals in PP with antioxidants irradiated with gamma rays

    Energy Technology Data Exchange (ETDEWEB)

    Silva, P. [Instituto Venezolano de Investigaciones Cientificas, Centro de Fisica, Carretera Panamericana Km. 11, Caracas 1020-A (Venezuela)], E-mail: silva@ivic.ve; Albano, C. [Instituto Venezolano de Investigaciones Cientificas, Centro de Quimica, Universidad Central de Venezuela, Facultad de Ingenieria (Venezuela); Perera, R. [Departamento de Mecanica, Universidad Simon Bolivar (Venezuela)

    2007-12-15

    The behavior of different compounds of polypropylene (PP) with stabilizers such as buthyl-hydroxy-toluene (BHT), Chimassorb 944 (Hals) (CHIM), and a copolymer of styrene-butadiene-styrene (SBS) was studied using electron paramagnetic resonance (EPR). A characteristic spectra for pure PP irradiated in air was obtained for all the samples just after being irradiated [M. Dole, The Radiation Chemistry of Macromolecules, Vol. 2, Academic Press, 1973]. A change in the lineshape of the spectra from a pure PP's EPR signal to that of nitroxyl radical as a function of time was observed. The total free radical concentration (TFRC) decayed until approximately 800 h in the PP-HALS and until around 2000 h in all other cases, when the TFRC began to increase in all the cases, except in that of PP-BHT. In this last case, the EPR signal was not detectable after 4000 h. The BHT and the SBS diluted the free radical concentrations, being them smaller when they are present. The behavior observed in all the samples is consistent with the formation of nitroxyl radicals by gamma rays.

  17. Heat treatment study of $Nb_{3}Sn$ strands for the Fermilab's high field dipole model

    CERN Document Server

    Barzi, E; Limon, P J; Ozelis, J P; Yamada, R; Zlobin, A V; Gregory, E; Pyon, T; Wake, M

    2000-01-01

    Fermilab is developing high field superconducting dipole magnets based on Nb/sub 3/Sn for a post-LHC very large hadron collider (VLHC) . The first prototype is a 1 meter long two-layer shell-type (cos- theta) coil with a nominal field of 11 T. A keystoned Rutherford-type cable made of 28 Nb/sub 3/Sn strands of 1 mm in diameter is used. The development of high J/sub c/ multifilamentary Nb/sub 3/Sn strands with low magnetization is an important step of this program. To achieve this goal, strand R&D is actively pursued by Fermilab and IGC using the internal tin process. Conductor designs, heat treatment studies, and results of measurements, including I/sub c/, n-value, RRR, magnetization, and chemical analyses, are presented. (4 refs).

  18. A Feasibility Study of High-Strength Bi-2223 Conductor for High-Field Solenoids.

    Science.gov (United States)

    Godeke, A; Abraimov, D V; Arroyo, E; Barret, N; Bird, M D; Francis, A; Jaroszynski, J; Kurteva, D V; Markiewicz, W D; Marks, E L; Marshall, W S; McRae, D M; Noyes, P D; Pereira, R C P; Viouchkov, Y L; Walsh, R P; White, J M

    2017-03-01

    We performed a feasibility study on a high-strength Bi2-x Pb x Sr2Ca2Cu3O10-x (Bi-2223) tape conductor for high-field solenoid applications. The investigated conductor, DI-BSCCO Type HT-XX, is a pre-production version of Type HT-NX, which has recently become available from Sumitomo Electric Industries (SEI). It is based on their DI-BSCCO Type H tape, but laminated with a high-strength Ni-alloy. We used stress-strain characterizations, single- and double-bend tests, easy- and hard-way bent coil-turns at various radii, straight and helical samples in up to 31.2 T background field, and small 20-turn coils in up to 17 T background field to systematically determine the electro-mechanical limits in magnet-relevant conditions. In longitudinal tensile tests at 77 K, we found critical stress- and strain-levels of 516 MPa and 0.57%, respectively. In three decidedly different experiments we detected an amplification of the allowable strain with a combination of pure bending and Lorentz loading to ≥ 0.92% (calculated elastically at the outer tape edge). This significant strain level, and the fact that it is multi-filamentary conductor and available in the reacted and insulated state, makes DI-BSCCO HT-NX highly suitable for very high-field solenoids, for which high current densities and therefore high loads are required to retain manageable magnet dimensions.

  19. Synthesis and room temperature single crystal EPR studies of a ...

    Indian Academy of Sciences (India)

    Unknown

    Optical and electron paramagnetic spectral data have been used to obtain the parameters Dq, B and C. Keywords. Hsalamp; cyclic voltammetry; electron paramagnetic resonance; spin-. Hamiltonian parameters. 1. Introduction. Biological activity of complexes derived from hydrazones has been widely studied and.

  20. [Laser flash photolysis, EPR and Raman studies of liquids at elevated pressures

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.

    1992-01-01

    The proposed research will solve a number of analytical chemical problems in solutions with measurement techniques that benefit from the use of elevated hydrostatic pressures: stopped-flow spectrophotometry (Gd[sup 3+] + L(ligand), [RuL[sub 5]H[sub 2]O][sup 2+], laser flash photolysis of Mo(CO)[sub 6] + L, flash photolysis of binuclear metalloproteins), EPR spectroscopy (Gd[sup 3+] ion-exchanged into ETS-10 and ETAS-10 molecular sieves), laser flash photolysis kinetic studies of Mo(CO)[sub 6]-2,2'-bipyridine, and electrochemical studies of metalloporphyrins using resonance Raman spectroscopy.

  1. [Laser flash photolysis, EPR and Raman studies of liquids at elevated pressures

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.

    1992-10-01

    The proposed research will solve a number of analytical chemical problems in solutions with measurement techniques that benefit from the use of elevated hydrostatic pressures: stopped-flow spectrophotometry (Gd{sup 3+} + L(ligand), [RuL{sub 5}H{sub 2}O]{sup 2+}, laser flash photolysis of Mo(CO){sub 6} + L, flash photolysis of binuclear metalloproteins), EPR spectroscopy (Gd{sup 3+} ion-exchanged into ETS-10 and ETAS-10 molecular sieves), laser flash photolysis kinetic studies of Mo(CO){sub 6}-2,2`-bipyridine, and electrochemical studies of metalloporphyrins using resonance Raman spectroscopy.

  2. Scoping study for compact high-field superconducting net energy tokamaks

    Science.gov (United States)

    Mumgaard, R. T.; Greenwald, M.; Freidberg, J. P.; Wolfe, S. M.; Hartwig, Z. S.; Brunner, D.; Sorbom, B. N.; Whyte, D. G.

    2016-10-01

    The continued development and commercialization of high temperature superconductors (HTS) may enable the construction of compact, net-energy tokamaks. HTS, in contrast to present generation low temperature superconductors, offers improved performance in high magnetic fields, higher current density, stronger materials, higher temperature operation, and simplified assembly. Using HTS along with community-consensus confinement physics (H98 =1) may make it possible to achieve net-energy (Q>1) or burning plasma conditions (Q>5) in DIII-D or ASDEX-U sized, conventional aspect ratio tokamaks. It is shown that, by operating at high plasma current and density enabled by the high magnetic field (B>10T), the required triple products may be achieved at plasma volumes under 20m3, major radii under 2m, with external heating powers under 40MW. This is at the scale of existing devices operated by laboratories, universities and companies. The trade-offs in the core heating, divertor heat exhaust, sustainment, stability, and proximity to known plasma physics limits are discussed in the context of the present tokamak experience base and the requirements for future devices. The resulting HTS-based design space is compared and contrasted to previous studies on high-field copper experiments with similar missions. The physics exploration conducted with such HTS devices could decrease the real and perceived risks of ITER exploitation, and aid in quickly developing commercially-applicable tokamak pilot plants and reactors.

  3. Study of dental enamel and synthetic hydroxyapatite irradiated by EPR at K-band

    Energy Technology Data Exchange (ETDEWEB)

    Santos, A.B. [Departamento Fisica e Matematica, FFCLRP, Universidade de Sao Paulo, 14040-901 Ribeirao Preto, SP (Brazil); Universidade Federal do Tocantins, 77020-120 Palmas, Tocantins (Brazil)]. E-mail: adevailton@uft.edu.br; Rossi, A.M. [Centro Brasileiro de Pesquisas Fisicas, 22290 180 Rio de Janeiro, RJ (Brazil); Baffa, O. [Departamento Fisica e Matematica, FFCLRP, Universidade de Sao Paulo, 14040-901 Ribeirao Preto, SP (Brazil)

    2005-02-01

    In this preliminary work the EPR spectra of a small dental enamel block and a synthetic B-type hydroxyapatite in powder form, both irradiated with gamma rays, were analyzed in K-band. The spectra of the dental enamel block allow the analysis of independent components with different angular orientations, while the study of the dosimetric properties of the synthetic hydroxyapatites showed good performance of this spectrometer. K-band spectra show better resolution when compared to X-band, while using significantly less sample material.

  4. Study of dental enamel and synthetic hydroxyapatite irradiated by EPR at K-band.

    Science.gov (United States)

    Santos, A B; Rossi, A M; Baffa, O

    2005-02-01

    In this preliminary work the EPR spectra of a small dental enamel block and a synthetic B-type hydroxyapatite in powder form, both irradiated with gamma rays, were analyzed in K-band. The spectra of the dental enamel block allow the analysis of independent components with different angular orientations, while the study of the dosimetric properties of the synthetic hydroxyapatites showed good performance of this spectrometer. K-band spectra show better resolution when compared to X-band, while using significantly less sample material.

  5. Lipid peroxidation and water penetration in lipid bilayers: a W-band EPR study.

    Science.gov (United States)

    Conte, Elena; Megli, Francesco Maria; Khandelia, Himanshu; Jeschke, Gunnar; Bordignon, Enrica

    2013-02-01

    Lipid peroxidation plays a key role in the alteration of cell membrane's properties. Here we used as model systems multilamellar vesicles (MLVs) made of the first two products in the oxidative cascade of linoleoyl lecithin, namely 1-palmitoyl-2-(13-hydroperoxy-9,11-octadecanedienoyl)-lecithin (HpPLPC) and 1-palmitoyl-2-(13-hydroxy-9,11-octadecanedienoyl)-lecithin (OHPLPC), exhibiting a hydroperoxide or a hydroxy group at position 13, respectively. The two oxidized lipids were used either pure or in a 1:1 molar ratio mixture with untreated 1-palmitoyl-2-linoleoyl-lecithin (PLPC). The model membranes were doped with spin-labeled lipids to study bilayer alterations by electron paramagnetic resonance (EPR) spectroscopy. Two different spin-labeled lipids were used, bearing the doxyl ring at position (n) 5 or 16: γ-palmitoyl-β-(n-doxylstearoyl)-lecithin (n-DSPPC) and n-doxylstearic acid (n-DSA). Small changes in the acyl chain order in the sub-polar region and at the methyl-terminal induced by lipid peroxidation were detected by X-band EPR. Concomitantly, the polarity and proticity of the membrane bilayer in those regions were investigated at W band in frozen samples. Analysis of the g(xx) and A(zz) parameters revealed that OHPLPC, but mostly HpPLPC, induced a measurable increase in polarity and H-bonding propensity in the central region of the bilayer. Molecular dynamics simulation performed on 16-DSA in the PLPC-HpPLPC bilayer revealed that water molecules are statistically favored with respect to the hydroperoxide groups to interact with the nitroxide at the methyl-terminal, confirming that the H-bonds experimentally observed are due to increased water penetration in the bilayer. The EPR and MD data on model membranes demonstrate that cell membrane damage by oxidative stress cause alteration of water penetration in the bilayer. Copyright © 2012 Elsevier B.V. All rights reserved.

  6. EPR studies of free radicals decay and survival in gamma irradiated aminoglycoside antibiotics: sisomicin, tobramycin and paromomycin.

    Science.gov (United States)

    Wilczyński, Sławomir; Pilawa, Barbara; Koprowski, Robert; Wróbel, Zygmunt; Ptaszkiewicz, Marta; Swakoń, Jan; Olko, Paweł

    2012-02-14

    Radiation sterilization technology is more actively used now that any time because of its many advantages. Gamma radiation has high penetrating power, relatively low chemical reactivity and causes small temperature rise. But on the other hand radiosterilization can lead to radiolytic products appearing, in example free radicals. Free radicals in radiative sterilized sisomicin, tobramycin and paromomycin were studied by electron paramagnetic resonance (EPR) spectroscopy. Dose of gamma irradiation of 25kGy was used. Concentrations and properties of free radicals in irradiated antibiotics were studied. EPR spectra were recorded for samples stored in air and argon. For gamma irradiated antibiotics strong EPR lines were recorded. One- and two-exponential functions were fitted to experimental points during testing and researching of time influence of the antibiotics storage to studied parameters of EPR lines. Our study of free radicals in radiosterilized antibiotics indicates the need for characterization of medicinal substances prior to sterilization process using EPR values. We propose the concentration of free radicals and other spectroscopic parameters as useful factors to select the optimal type of sterilization for the individual drug. The important parameters are i.a. the τ time constants and K constants of exponential functions. Time constants τ give us information about the speed of free radicals concentration decrease in radiated medicinal substances. The constant K(0) shows the free radicals concentration in irradiated medicament after long time of storage. Copyright © 2011 Elsevier B.V. All rights reserved.

  7. Neutron scattering study of the incommensurate high-field phase of CuGeO3

    DEFF Research Database (Denmark)

    Rønnow, H.M.; Enderle, M.; McMorrow, D.F.

    2000-01-01

    CuGeO3 is a good realization of a spin-Peierls system. Using neutron scattering, we have investigated the transition from the dimerized spin-Peierls phase to an incommensurately modulated high-field phase. The incommensurate period has been measured for fields up to 14.5 T and is found...

  8. Contribution of major lipophilic antioxidants to the antioxidant activity of basil extracts: an EPR study.

    Science.gov (United States)

    Sgherri, Cristina; Pinzino, Calogero; Navari-Izzo, Flavia; Izzo, Riccardo

    2011-04-01

    The present research analyses the contribution of some lipid antioxidants to the antioxidant activity of lipophilic extracts from basil by an electron paramagnetic resonance (EPR) study using the stable free radical 1,1-diphenyl-2-picrylhydrazyl (DPPH). DPPH assay is considered an easy and accurate method with regard to measuring the antioxidant activity of plant extracts and EPR has already been employed to determine antioxidant activities of lipophilic plant extracts. Lipid extracts were obtained from basil grown hydroponically for 20 or 35 days from sowing and in soil for 35 days from sowing. Fast and slow rate constants were distinguishable in the decay kinetics of DPPH mixture added with lipid extract. Antioxidants with kinetics characterized by a fast decay rate were tocopherols and chlorophylls, whereas those characterized by a slow decay rate were carotenoids, among which were β-carotene, lutein, β-apo-8'-carotenal and zeaxanthin. The 20-day hydroponically grown sample, which showed higher contents of tocopherol, chlorophyll and carotenoid molecules, was the sample endowed with the higher content of fast lipophilic antioxidants (FLA) and slow lipophilic antioxidants (SLA). The three samples showed different compositions of FLA and SLA, giving rise to different decay kinetics. Despite the differences, in all samples tocopherol contributed about 0.3% to the bulk of FLA, whereas the figure for chlorophyll was about 40%, evidencing the relevant but little-studied role of chlorophyll as an antioxidant. Copyright © 2011 Society of Chemical Industry.

  9. 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.

  10. An EPR study on tea: Identification of paramagnetic species, effect of heat and sweeteners

    Science.gov (United States)

    Bıyık, Recep; Tapramaz, Recep

    2009-10-01

    Tea ( Camellia Sinensis) is the most widely consumed beverage in the world, and is known to be having therapeutic, antioxidant and nutritional effects. Electron paramagnetic resonance (EPR) spectral studies made on the tea cultivated along the shore of Black Sea, Turkey, show Mn 2+ and Fe 3+ centers in green tea leaves and in black tea extract. Dry black tea flakes and dry extract show additional sharp line attributed to semiquinone radical. The origins of the paramagnetic species in black tea are defined and discussed. Effect of humidity and heat are investigated. It is observed that dry extract of black tea melts at 100 °C and the semiquinone radical lives up to 140 °C while Mn 2+ sextet disappears just above 100 °C in tea extract. Natural and synthetics sweeteners have different effects on the paramagnetic centers. White sugar (sucrose) quenches the Mn 2+ and semiquinone lines in black tea EPR spectrum, and glucose, fructose, lactose and maltose quench Fe 3+ line while synthetic sweeteners acesulfam potassium, aspartame and sodium saccharine do not have any effect on paramagnetic species in tea.

  11. EPR study of positive holes on phenylene vinylene chains : from dimer to polymer

    NARCIS (Netherlands)

    Zezin, AA; Feldman, [No Value; Warman, JM; Wildeman, J; Hadziioannou, G

    2004-01-01

    Isolated radical cations of substituted oligomers and polymers of phenylene vinylenes (PV) produced by irradiation in glassy toluene solutions were characterized by EPR. It was shown that the linewidth of the EPR signal from radical cations in oligomers decreased with increasing the number of repeat

  12. A HIGH FIELD PULSED SOLENOID MAGNET FOR LIQUID METAL TARGET STUDIES.

    Energy Technology Data Exchange (ETDEWEB)

    KIRK,H.G.IAROCCI,M.SCADUTO,J.WEGGEL,R.J.MULHOLLAND,G.MCDONALD,K.T.

    2003-05-12

    The target system for a muon collider/neutrino factory requires the conjunction of an intense proton beam, a high-Z liquid target and a high-field solenoid magnet. We describe here the design parameters for a pulsed solenoid, including the magnet cryogenic system and power supply, that can generate transient fields of greater than 10T with a flat-tops on the order of 1 second. It is envisioned to locate this device at the Brookhaven AGS for proof-of-principle testing of a liquid-jet target system with pulses of le13 protons.

  13. Light-induced EPR study of charge transfer in P3HT/bis-PCBM bulk heterojunctions

    National Research Council Canada - National Science Library

    Krinichnyi, Victor I; Yudanova, Eugenia I

    2011-01-01

    ... – 2.73 eV in bulk heterojunctions formed by poly(3-hexylthiophene) (P3HT) with bis(1-[3-(methoxycarbonyl)propyl]-1-phenyl)-[6.6]C62 (bis-PCBM) fullerene derivative have been studied by direct light-induced EPR...

  14. EPR and optical absorption studies of VO{sup 2+} ion doped magnesium citrate decahydrate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dwivedi, Prashant [Department of Physics, Kali Charan Nigam Institute of Technology, Banda 210001, UP (India); Kripal, Ram, E-mail: ram_kripal2001@rediffmail.co, E-mail: prashant_kcnit@rediffmail.co [EPR Laboratory, Department of Physics, University of Allahabad, Allahabad 211002 (India)

    2010-10-15

    An X-band electron paramagnetic resonance (EPR) study of VO{sup 2+} ions in magnesium citrate decahydrate single crystals was done at room temperature. Detailed EPR analysis indicated the presence of two magnetically inequivalent VO{sup 2+} sites. Both the vanadyl complexes were found to take up substitutional positions. The angular variation of the EPR spectra in three planes a{sup *}b, bc and ca{sup *} were used to determine principal g and A tensors. For the two sites the spin Hamiltonian parameters are site I: g{sub x}=2.0976, g{sub y}=1.9093, g{sub z}=1.9505, |A{sub x}|=73, |A{sub y}|=115, |A{sub z}|=237x10{sup -4} cm{sup -1}; site II: g{sub x}=2.0735, g{sub y}=1.9235, g{sub z}=1.9699, |A{sub x}|=72, |A{sub y}|=111, |A{sub z}|=233x10{sup -4} cm{sup -1}. An optical absorption study was also performed at room temperature, and absorption bands were assigned to various transitions. The theoretical band positions were estimated using energy expressions, and good agreement with experimental values was found. By correlating EPR and optical data, different molecular orbital coefficients were evaluated; the nature of the bonding in the crystal is discussed.

  15. EPR and optical absorption studies of paramagnetic molecular ion (VO2+) in Lithium Sodium Acid Phthalate single crystal

    Science.gov (United States)

    Subbulakshmi, N.; Kumar, M. Saravana; Sheela, K. Juliet; Krishnan, S. Radha; Shanmugam, V. M.; Subramanian, P.

    2017-12-01

    Electron Paramagnetic Resonance (EPR) spectroscopic studies of VO2+ ions as paramagnetic impurity in Lithium Sodium Acid Phthalate (LiNaP) single crystal have been done at room temperature on X-Band microwave frequency. The lattice parameter values are obtained for the chosen system from Single crystal X-ray diffraction study. Among the number of hyperfine lines in the EPR spectra only two sets are reported from EPR data. The principal values of g and A tensors are evaluated for the two different VO2+ sites I and II. They possess the crystalline field around the VO2+ as orthorhombic. Site II VO2+ ion is identified as substitutional in place of Na1 location and the other site I is identified as interstitial location. For both sites in LiNaP, VO2+ are identified in octahedral coordination with tetragonal distortion as seen from the spin Hamiltonian parameter values. The ground state of vanadyl ion in the LiNaP single crystal is dxy. Using optical absorption data the octahedral and tetragonal parameters are calculated. By correlating EPR and optical data, the molecular orbital bonding parameters have been discussed for both sites.

  16. EPR and optical absorption studies of Cu{sup 2+} ions doped magnesium citrate decahydrate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dwivedi, Prashant, E-mail: prashant_kcnit@rediffmail.co [Department of Physics, Kali Charan Nigam Institute of Technology, Banda (U.P.) 210001 (India); Kripal, Ram, E-mail: ram_kripal2001@rediffmail.co [EPR Laboratory, Department of Physics, University of Allahabad, 22/5A Katra Road, Allahabad, 211002 (India); Misra, Madan Gopal [EPR Laboratory, Department of Physics, University of Allahabad, 22/5A Katra Road, Allahabad, 211002 (India)

    2010-06-04

    X-band electron paramagnetic resonance (EPR) studies of Cu{sup 2+} ions in magnesium citrate decahydrate single crystals are done at room temperature. Detailed EPR analysis indicates the presence of only one Cu{sup 2+} site. Cu{sup 2+} is found to take up substitutional position at Mg site. The angular variation of the EPR spectra in three planes a*b, bc and ca* are used to determine principal g and A tensors. The spin Hamiltonian parameters are: g{sub x} = 2.0346, g{sub y} = 2.1400, g{sub z} = 2.3874, A{sub x} = 57, A{sub y} = 76, A{sub z} = 99 (x10{sup -4}) cm{sup -1}. The optical absorption study is also carried out at room temperature and absorption bands are assigned to various transitions. The theoretical band positions are estimated using energy expressions and a good agreement is obtained with the experimental values. By correlating EPR and optical data, different molecular orbital coefficients are evaluated and the nature of bonding in the complex is discussed.

  17. An EPR line shape study of anisotropic rotational reorientation and slow tumbling in liquid and frozen jojoba oil

    Science.gov (United States)

    Hwang, J. S.; Al-Rashid, W. A.

    Spin probe investigation of jojoba oil was carried out by electron paramagnetic rresonance (EPR) spectroscopy. The spin probe used was 2,2,6,6-tetramethyl-4-piperidone- N-oxide. The EPR line shape studies were carried out in the lower temperature range of 192 to 275 K to test the applicability of the stochastic Liouville theory in the simulation of EPR line shapes where earlier relaxation theories do not apply. In an earlier study, this system was analysed by employing rotational diffusion at the fast-motional region. The results show that PD-Tempone exhibits asymmetric rotational diffusion with N = 3.3 at an axis z'= Y in the plane of the molecule and perpendicular to the NO bond direction. In this investigation we have extended the temperature range to lower temperatures and observed slow tumbling EPR spectra. It is shown that the stochastic Liouville method can be used to simulate all but two of the experimentally observed EPR spectra in the slow-motional region and details of the slow-motional line shape are sensitive to the anisotropy of rotation and showed good agreement for a moderate jump model. From the computer simulation of EPR line shapes it is found that the information obtained on τ R, and N in the motional-narrowing region can be extrapolated into the slow-tumbling region. It is also found that ln (τ R) is linear in 1/ T in the temperature range studied and the resulting activation energy for rotation is 51 kJ/mol. The two EPR spectra at 240 and 231 K were found to exhibit the effects of anisotropic viscosity observed by B IRELL for nitroxides oriented in tubular cavities in inclusion crystals in which the molecule is free to rotate about the long axis but with its rotation hindered about the other two axes because of the cavity geometry. These results proved that the slow-tumbling spectra were very sensitive to the effects of anisotropy in the viscosity.

  18. Comparative EPR studies of free radicals in melanin synthesized by Bacillus weihenstephanensis soil strains

    Science.gov (United States)

    Zdybel, Magdalena; Pilawa, Barbara; Drewnowska, Justyna M.; Swiecicka, Izabela

    2017-07-01

    EPR spectroscopy was used to examine the properties of and free radical concentrations in atypical water-soluble melanin-like pigments from Bacillus weihenstephanensis strains. The same EPR spectral shape was observed in bacterial melanins as in eumelanin. The EPR lines were homogeneously broadened. Continuous microwave saturation of the EPR lines indicated slow spin-lattice relaxation processes in the samples. Strong dipolar interactions characterized the tested melanin samples. Higher free radical concentrations were found in bacterial melanin than in synthetic melanin. The free radical concentrations in melanin from B. weihenstephanensis increased in the following order: strain JAS 81/4 < JAS 83/3 < JAS 86/1 < JAS 39/1.

  19. HF-EPR, Raman, UV/VIS light spectroscopic, and DFT studies of the ribonucleotide reductase R2 tyrosyl radical from Epstein-Barr virus.

    Directory of Open Access Journals (Sweden)

    Ane B Tomter

    Full Text Available Epstein-Barr virus (EBV belongs to the gamma subfamily of herpes viruses, among the most common pathogenic viruses in humans worldwide. The viral ribonucleotide reductase small subunit (RNR R2 is involved in the biosynthesis of nucleotides, the DNA precursors necessary for viral replication, and is an important drug target for EBV. RNR R2 generates a stable tyrosyl radical required for enzymatic turnover. Here, the electronic and magnetic properties of the tyrosyl radical in EBV R2 have been determined by X-band and high-field/high-frequency electron paramagnetic resonance (EPR spectroscopy recorded at cryogenic temperatures. The radical exhibits an unusually low g₁-tensor component at 2.0080, indicative of a positive charge in the vicinity of the radical. Consistent with these EPR results a relatively high C-O stretching frequency associated with the phenoxyl radical (at 1508 cm⁻¹ is observed with resonance Raman spectroscopy. In contrast to mouse R2, EBV R2 does not show a deuterium shift in the resonance Raman spectra. Thus, the presence of a water molecule as a hydrogen bond donor moiety could not be identified unequivocally. Theoretical simulations showed that a water molecule placed at a distance of 2.6 Å from the tyrosyl-oxygen does not result in a detectable deuterium shift in the calculated Raman spectra. UV/VIS light spectroscopic studies with metal chelators and tyrosyl radical scavengers are consistent with a more accessible dimetal binding/radical site and a lower affinity for Fe²⁺ in EBV R2 than in Escherichia coli R2. Comparison with previous studies of RNR R2s from mouse, bacteria, and herpes viruses, demonstrates that finely tuned electronic properties of the radical exist within the same RNR R2 Ia class.

  20. EPR safety. Consideration of the internal and external hazards in the safety studies; Surete du reacteur EPR. Prise en compte des agressions internes et externes dans les etudes de surete EPR

    Energy Technology Data Exchange (ETDEWEB)

    Gueguin, H. [Electricite de France (EDF-DIN), Centre National d' Equipement Nucleaire, Service Controle Commande, 92 - Montrouge (France)

    2008-04-15

    The author presents the main points of the Preliminary Safety Report of EDF on the EPR reactor safety. It concerns the considerations of the internal (fire, flood, explosions, pipes failures) and external (earthquakes, airplane falls, explosions, exceptional natural disasters, extreme meteorological conditions) damages. It presents how the safety report takes into account the aggression. (A.L.B.)

  1. EPR and optical absorption study of Mn 2+-doped zinc ammonium phosphate hexahydrate single crystals

    Science.gov (United States)

    Kripal, Ram; Govind, Har; Gupta, S. K.; Arora, Manju

    2007-04-01

    EPR study of Mn 2+-doped zinc ammonium phosphate hexahydrate (ZAPH) is done at room temperature. The Mn 2+ spin Hamiltonian parameters are evaluated employing a large number of resonant line positions observed for different orientations of the external magnetic field. The evaluated value of g-factor is 1.9527±0.0002 and the values of other parameters D, E, a, A and B (in 10 -4 cm -1) are, 175±2, 58±2, 10±1, 92±2 and 86±2, respectively. The optical absorption study of the crystal is also done. The observed bands are assigned as transitions from the 6A 1g(S) ground state to various excited quartet levels of Mn 2+ ion in a cubic crystal field. These bands are fitted with four parameters: inter-electronic repulsion parameters ( B and C), cubic crystal field splitting parameter ( Dq), and Tree's correction ( α). The values obtained for the parameters are B=917, C=2254, Dq=756 and α=76 cm -1. From the data obtained the surrounding crystal field and the nature of metal-ligand bonding are discussed. The considerable decrease in the values of B and C from their free ion values indicates the existence of a fair amount of covalent bonding between the central metal ion and the ligand. On the basis of the deviations Δ g= g-2.0023, the transfer of electrons to or from the central metal ion for bond formation is ascertained.

  2. Magnetic properties of single crystal alpha-benzoin oxime: An EPR study

    Science.gov (United States)

    Sayin, Ulku; Dereli, Ömer; Türkkan, Ercan; Ozmen, Ayhan

    2012-02-01

    The electron paramagnetic resonance (EPR) spectra of gamma irradiated single crystals of alpha-benzoinoxime (ABO) have been examined between 120 and 440 K. Considering the dependence on temperature and the orientation of the spectra of single crystals in the magnetic field, we identified two different radicals formed in irradiated ABO single crystals. To theoretically determine the types of radicals, the most stable structure of ABO was obtained by molecular mechanic and B3LYP/6-31G(d,p) calculations. Four possible radicals were modeled and EPR parameters were calculated for the modeled radicals using the B3LYP method and the TZVP basis set. Calculated values of two modeled radicals were in strong agreement with experimental EPR parameters determined from the spectra. Additional simulated spectra of the modeled radicals, where calculated hyperfine coupling constants were used as starting points for simulations, were well matched with experimental spectra.

  3. EPR and ENDOR spectroscopic study of the reactions of aromatic azides with gallium trichloride.

    Science.gov (United States)

    Bencivenni, Giorgio; Cesari, Riccardo; Nanni, Daniele; El Mkami, Hassane; Walton, John C

    2010-11-21

    The reactions of gallium trichloride with phenyl and deuterio-phenyl azides, as well as with 4-methoxyphenyl azide and deuterium isotopomers, were examined by product analysis, CW EPR spectroscopy and pulsed ENDOR spectroscopy. The products included the corresponding anilines together with 4-aminodiphenylamine type dimers, and polyanilines. Complex CW EPR spectra of the radical cations of the dimers [ArNHC(6)H(4)NH(2)](+)˙ and trimers [ArNHC(6)H(4)NHC(6)H(4)NH(2)](+)˙ were obtained. These EPR spectra were analysed with the help of data from the deuterium-substituted analogues as well as the pulse Davies ENDOR spectra. DFT computations of the radical cations provided corroborating evidence and suggested the unpaired electrons were accommodated in extensive π-delocalised orbitals. A mechanism to account for the reductive conversion of aromatic azides to the corresponding anilines and thence to the dimers and trimers is proposed.

  4. EPR study of Mn-implanted single crystal TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Gueler, S; Rameev, B [Department of Physics, Gebze Institute of Technology, 41400 Gebze-Kocaeli (Turkey); Khaibullin, R I; Aktas, B [Lab. of Radiation Physics, Kazan Physical-Technical Institute, 420029 Kazan (Russian Federation); Lopatin, O N, E-mail: sumeyra@gyte.edu.t [Faculty of Geology, Kazan State University, 420008 Kazan (Russian Federation)

    2009-03-01

    Single crystals of manganese-implanted TiO{sub 2} rutile have been investigated by electron paramagnetic resonance (EPR) technique at room temperature. ESR spectra have been interpreted to correspond to the transitions among the spin multiplet (S=3/2) of the paramagnetic Mn{sup 4+} ion. Characteristic six-line hyper-fine splitting of the ESR spectra resulting from the spin I=5/2 of the Mn{sup 55} nucleus has been observed. Analysis of EPR spectra shows that manganese in TiO{sub 2} rutile host substitutes for Ti{sup 4+} ions. Two equivalent Mn{sup 4+} centers have been observed in the EPR spectra in correspondence with two equivalent octahedral positions of Ti ions in the rutile structure. Parameters of the crystal field of orthorhombic symmetry on the Mn{sup 4+} centers have been obtained as result of computer modelling.

  5. EPR study of Mn-implanted single crystal TiO2

    Science.gov (United States)

    Güler, S.; Rameev, B.; Khaibullin, R. I.; Lopatin, O. N.; Aktaş, B.

    2009-03-01

    Single crystals of manganese-implanted TiO2 rutile have been investigated by electron paramagnetic resonance (EPR) technique at room temperature. ESR spectra have been interpreted to correspond to the transitions among the spin multiplet (S=3/2) of the paramagnetic Mn4+ ion. Characteristic six-line hyper-fine splitting of the ESR spectra resulting from the spin I=5/2 of the Mn55 nucleus has been observed. Analysis of EPR spectra shows that manganese in TiO2 rutile host substitutes for Ti4+ ions. Two equivalent Mn4+ centers have been observed in the EPR spectra in correspondence with two equivalent octahedral positions of Ti ions in the rutile structure. Parameters of the crystal field of orthorhombic symmetry on the Mn4+ centers have been obtained as result of computer modelling.

  6. "Assessing the RAFT equilibrium constant via model systems: an EPR study"--response to a comment.

    Science.gov (United States)

    Meiser, Wibke; Buback, Michael

    2012-08-14

    We have presented an EPR-based approach for deducing the RAFT equilibrium constant, K(eq), of a dithiobenzoate-mediated system [Meiser, W. and Buback M. Macromol. Rapid Commun. 2011, 32, 1490]. Our value is by four orders of magnitude below K(eq) from ab initio calculations for the identical monomer-free system. Junkers et al. [Macromol. Rapid Commun. 2011, 32, 1891] claim that our EPR approach would be model dependent and our data could be equally well fitted by assuming slow addition of radicals to the RAFT agent and slow fragmentation of the so-obtained intermediate radical as well as high cross-termination rate. By identification of all side products, our EPR-based method is shown to be model independent and to provide reliable K(eq) values, which demonstrate the validity of the intermediate radical termination model. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. NMR and EPR Studies of Free-Radical Intermediates from Experiments Mimicking the Winds on Mars

    DEFF Research Database (Denmark)

    Jakobsen, Hans J.; Song, Likai; Gan, Zhehong

    2016-01-01

    -enriched methane ((CH4)-C-13 and CD4), carbon dioxide ((CO2)-C-13), hydrogen (H-2(2)) and oxygen (O-17(2)). The solid-state Si free-radical intermediate and gas reaction and silicate products are formed in a specially designed rotating apparatus, which by mechanical tumbling mimics the winds and collision......A new kind of solid gas chemical reactions has been investigated using solid-state powder H-2, C-13, and Si-29 NMR and EPR spectroscopies. These studies involve reactions between a silicate-created Si free-radical intermediate and a few ordinary gases such as isotopically H-2-, C-13-, and O-17...... speed of the mineral particles on Mars. It is shown that the "hard" quartz (SiO2) or corundum (alpha-AL(2)O(3)) grain particles, used to simulate the collision particles in a rotating Pyrex (borosilicate) reaction flask, act as an abrasive on the "soft" Pyrex flask and thereby create a silicate Si free...

  8. EPR study of complex formation between copper (II) ions and sympathomimetic amines in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Preoteasa, E.A. [Inst. of Atomic Physics, IFIN, Bucharest (Romania); Duliu, O.G.; Grecu, V.V. [Bucharest, Univ. (Romania). Dept. of Atomic and Nuclear Physics

    1997-07-01

    The complex formation between sympathomimetic amines (SA): adrenaline (AD), noradrenaline (NA), dopamine (DA), ephedrine (ED) and p-tyramine (pTA), and Cu(II) ion in aqueous solution has been studied by X-band EPR at room temperature. Excepting pTA, all investigated SA yielded two types of complexes in different pH domains. All complexes consistent with a ligand fields having a distorted octahedral symmetry, i.e., hexacoordination of Cu(II). The covalence coefficient calculated from the isotropic g and A values has shown strong ionic sigma-type ligand bonds. A structural model with the Cu(II) ion bound by four catecholic O(hydroxy) atoms for the low pH complexes of AD, NA and DA is proposed. For the high pH complexes of the former compounds as well as for both Ed complexes, the authors suppose Cu(II) bound by two N (amino) and two O (hydroxy) atoms. The spectra are consistent to water binding on the longitudinal octahedron axis in all compounds excepting the high pH complex of Ed, where OH2- ions are bound. Possible implications for the SA-cell receptors interactions are discussed.

  9. Revealing model dependencies in "Assessing the RAFT equilibrium constant via model systems: an EPR study".

    Science.gov (United States)

    Junkers, Thomas; Barner-Kowollik, Christopher; Coote, Michelle L

    2011-12-01

    In a recent article (W. Meiser, M. Buback, Assessing the RAFT Equilibrium Constant via Model Systems: An EPR Study, Macromol. Rapid Commun. 2011, 18, 1490-1494), it is claimed that evidence is found that unequivocally proves that quantum mechanical calculations assessing the equilibrium constant and fragmentation rate coefficients in dithiobenzoate-mediated reversible addition fragmentation transfer (RAFT) systems are beset with a considerable uncertainty. In the present work, we show that these claims made by Meiser and Buback are beset with a model dependency, as a critical key parameter in their data analysis - the addition rate coefficient of the radicals attacking the C=S double bond in the dithiobenzoate - induces a model insensitivity into the data analysis. Contrary to the claims made by Meiser and Buback, their experimental results can be brought into agreement with the quantum chemical calculations if a lower addition rate coefficient of cyanoisopropyl radicals (CIP) to the CIP dithiobenzoate (CPDB) is assumed. To resolve the model dependency, the addition rate coefficient of CIP radicals to CPDB needs to be determined as a matter of priority. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. EPR study of free radicals in some drugs {gamma}-irradiated in the solid state

    Energy Technology Data Exchange (ETDEWEB)

    Ambroz, H.B. E-mail: ambroz@orange.ichtj.waw.pl; Kornacka, E.M.; Marciniec, B.; Ogrodowczyk, M.; Przybytniak, G.K

    2000-06-01

    A range of drugs in the form of microcrystalline powder was exposed to {gamma}-radiation. EPR measurements proved that all of them contained various paramagnetic species after 4 and 8 weeks of storage. We observed following radical concentrations, stable up to 4 weeks: the highest for ifosfamide -- 4.5x10{sup 17} spins per gram and the lowest for nimodipine -- 2.1x10{sup 16} spins per gram. Three drugs exhibited very weak EPR signals before irradiation, not detectable quantitatively. Some spectroscopic properties and suggestions concerning possible structure of the radicals are given in our paper. (author)

  11. EPR study of VO/sup 2 +/ in some paramagnetic Tutton salt single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Upreti, G.C. (Indian Inst. of Tech., Kanpur. Dept. of Physics); Saraswat, R.S. (Indian Inst. of Tech., Kharagpur. Dept. of Physics)

    1984-04-01

    The EPR spectra of VO/sup 2 +/ in single crystals of some paramagnetic salts Me(II)(NH/sub 4/)/sub 2/(SO/sub 4/)/sub 2/x6H/sub 2/O (Me = Co, Fe, or Ni) and NiK/sub 2/(SO/sub 4/)/sub 2/x6H/sub 2/O have been recorded and analyzed. The vanadyl ions doped in Co and Fe double salt crystals showed sharp and well resolved EPR spectra consisting in two sets of eight-line hyperfine patterns. The spin-Hamiltonian parameters and the molecular orbital coefficients are given and the bonding in vanadyl complexes is discussed.

  12. EPR study of concentration dependence in Ce, Ce : La and Ce:Y doped SrF2

    NARCIS (Netherlands)

    Dankert, O.; Vainchtein, David; Datema, H.C.; den Hartog, Hendrik

    1995-01-01

    Experimental results of an EPR-study of the concentration dependence of the doubly integrated intensity and linewidth of the signals associated with tetragonal Ce3+-F--dipoles in Sr1-xCexF2+x, Sr-1-0.005-x Ce0.005LaxF2+0.005+x and Sr-1-0.005-x Ce0.005YxF2+0.005+x are presented. Both show a nonlinear

  13. High temperature EPR study of the M3Fe4V6O24 (M = Cu, Zn, Mg and Mn

    Directory of Open Access Journals (Sweden)

    Guskos Niko

    2016-09-01

    Full Text Available Electron paramagnetic resonance (EPR spectra of M3Fe4V6O24 (M = Cu, Zn, Mg and Mn compounds in high temperature range (293 K to 493 K have been investigated. The role of magnetic (Cu, Mn and non-magnetic (Zn, Mg ions in M3Fe4V6O24 structure in formation of magnetic resonance spectra was studied. Temperature dependence of EPR parameters: resonance field, linewidth and integrated intensity were examined. Similarities and differences in temperature behavior of these parameters has been discussed in terms of different relaxation mechanisms and magnetic interactions in the spin systems. An important role of additional magnetic ions (M = Mn or Cu in the M3Fe4V6O24 structure has been identified and its consequences considered.

  14. Optical and EPR studies of Gd2Zr2O7 phosphors prepared via solution combustion method

    Science.gov (United States)

    Singh, Vijay; Sivaramaiah, Gobburu; Rao, J. L.; Hwan Kim, Sang

    2013-05-01

    Phosphor powder of Gd2Zr2O7 has been prepared by the urea combustion route. Phase evolution of the synthesized powder is determined by X-ray diffraction (XRD) technique. The structural environment between the Gd3+ and the zirconium oxide lattice has been investigated using electron paramagnetic resonance (EPR), diffuse reflectance and photoluminescence (PL) studies. The EPR spectrum of Gd2Zr2O7 phosphor exhibits a broad and intense signal at g≈2.0 and this has been attributed to Gd3+ ions in octahedral symmetry with strong dipolar interactions between Gd3+ ions. The intensity of the spectrum increases with temperature lowering from 296 to 110 K following the usual Boltzmann law. The g value is invariant with temperature variation. The diffuse reflectance spectrum exhibits two sharp and weak bands characteristic of Gd3+ ions in octahedral symmetry. The photoluminescence spectrum exhibits several bands characteristic of Gd3+ ions in octahedral symmetry.

  15. Investigating the structure and properties of hydrated hydroxypropyl methylcellulose and egg albumin matrices containing carbamazepine: EPR and NMR study.

    Science.gov (United States)

    Katzhendler, I; Mäder, K; Azoury, R; Friedman, M

    2000-10-01

    The present study was conducted in order to investigate the correlation between the hydration properties of HPMC and EA matrices, gel microstructure and mobility, crystalline changes occurring in the gel and CBZ release kinetics. The influence of HPMC and EA erosion modes on CBZ release kinetics was interpreted in terms of gel microstructures. NMR technique was used to determine the T1 and T2 relaxation rates of water in hydrated matrices. PFGSE NMR technique was employed to determine the SDC of water in the gels. EPR technique was used to determine the rotational correlation time of PCA in the hydrated matrices, gel microviscosity, mobile compartment, alpha, beta, gamma parameters and lorentzian/ gaussian ratio. These parameters are indicative of matrix microstructure. CBZ release mechanism from HPMC and EA matrices was markedly different. This behavior was related to the different structures of the polymer and protein. T2 relaxation studies and SDC measurements by NMR revealed higher chain hydration for HPMC compared to EA. Using the EPR technique it has been shown that the microviscosity and mobile compartment of matrices containing HPMC are lower than matrices containing EA. The microviscosity, mobile compartment and S-parameter values of hydrated matrices containing different EA/CBZ ratios were in correlation with the crystallization properties of CBZ in the gels, matrix erosion properties and CBZ release kinetics from the matrices. Characterization of matrix structures using EPR and NMR techniques supported our hypothesis concerning the mechanism involved in HPMC-CBZ interaction. EA/CBZ matrix microstructure features, analyzed by NMR and EPR techniques, were in correlation with the crystalline changes occurring in the gel and drug release kinetics.

  16. High-field magnetic studies of pseudoternary Nd sub 2 Fe sub 14 B-based compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kayzel, F.E.; Verhoef, R.; Ji, S.Q.; Franse, J.J.M.; Radwanski, R.J. (Natuurkundig Lab., Univ. van Amsterdam (Netherlands)); Hoch, S.; Kronmueller, H. (Max-Planck-Inst. fuer Metallforschung, Inst. fuer Physik, Stuttgart (Germany))

    1991-10-01

    The intrinsic properties of some pseudoternary Nd{sub 2}Fe{sub 14}B compounds (Nd{sub 2}Fe{sub 13.6}Al{sub 0.4}B, Nd{sub 2}Fe{sub 13.2}Al{sub 0.8}B, Nd{sub 2}Fe{sub 11.2}Co{sub 2.8}B, Nd{sub 1.8}Dy{sub 0.2}Fe{sub 14}B) have been studied by performing high field magnetization measurements at 4.2 K. The magneto-crystalline anisotropy coefficients have been derived. (orig.).

  17. Study of Thermal Properties of Mixed (PP/EPR/ABS with Five Model Compatibilizers

    Directory of Open Access Journals (Sweden)

    Pierre Marcel Anicet Noah

    2016-01-01

    Full Text Available The influences of incorporating compatibilizers E-EA-MAH, E-MA-GMA, E-AM, SEBS KRATON G, or PP-g-MAH on the thermal properties of mixed (polypropylene/ethylene propylene rubber/acrylonitrile butadiene styrene (PP/EPR/ABS have been investigated. DSC investigations have revealed that the incorporation of 5% of ABS in the copolymer (PP/EPR does not fundamentally affect the thermal properties of the basic copolymer; additionally, the addition of 1.5% of each of the compatibilizers in the basic mixture does not significantly alter the crystallization temperature values and the melting of the -P- sequences. There is a variation of melting enthalpy values of the -P- sequences of 18.23% using SEBS KRATON G and of 10.38% using E-AM-GMA. When the rate of each of the compatibilizers increases to 5%, overall crystallization enthalpies of -P- sequences are almost kept unchanged, except for the case of using the compatibilizer E-AM-GMA with a variation of 8.42%. There is a minor variation of the melting enthalpy of -P- sequences with higher levels of compatibilizer. The incorporation of 5% ABS copolymer in the PP/EPR does not significantly alter the thermal properties of the basic structure of (PP/EPR/ABS.

  18. EPR and photoluminescence study of irradiated anion-defective alumina single crystals

    Science.gov (United States)

    Kortov, V. S.; Ananchenko, D. V.; Konev, S. F.; Pustovarov, V. A.

    2017-09-01

    Electron paramagnetic resonance (EPR) and photoluminescence (PL) spectra of anion-defective alumina single crystals were measured. Exposure to a dose 10 Gy-1 kGy causes isotropic EPR signal of a complex form, this signal contains narrow and broad components. At the same time, in the PL spectrum alongside with a band of F+-centers (3.8 eV) an additional emission band with the maximum of 2.25 eV is registered. This band corresponds to aggregate F22+-centers which were create under irradiation. By comparing measurements in EPR and PL spectra with further stepped annealing in the temperature range of 773-1473 K of the samples exposed to the same doses, we were able to conclude that a narrow component of isotropic EPR signal is associated with the formation of paramagnetic F22+-centers under irradiation. A wide component can be caused by deep hole traps which are created by a complex defect (VAl2- - F+) with a localized hole.

  19. Pulsed EPR Spin-probe study of intracellular glasses in seed and pollen

    NARCIS (Netherlands)

    Buitink, J.; Dzuba, S.A.; Hoekstra, F.A.; Tsvetkov, Y.D.

    2000-01-01

    EPR spectra of 3-carboxy-proxyl (CP) in dry biological tissues exhibited a temperature-dependent change in the principal value A′zz of the hyperfine interaction tensor. The A′zz value changed sharply at a particular temperature that was dependent on water content. At elevated water contents, the

  20. The analogy in the formation of hardness salts and gallstones according to the EPR study

    Science.gov (United States)

    Pichugina, Alina; Tsyro, Larisa; Unger, Felix

    2017-11-01

    The article shows that the hardness salts contain the same crystalline phases as the bile stone pigment. The identity of EPR spectra of hardness salts and pigment of gallstones containing calcium carbonate was established. An analogy between the processes of formation of hardness salts and gallstones is played, in which particles with open spin-orbitals (fermions) play a decisive role.

  1. The effects of short-term selenium stress on Polish and Finnish wheat seedlings-EPR, enzymatic and fluorescence studies.

    Science.gov (United States)

    Łabanowska, Maria; Filek, Maria; Kościelniak, Janusz; Kurdziel, Magdalena; Kuliś, Ewa; Hartikainen, Helina

    2012-02-15

    Biochemical analyses of antioxidant content were compared with measurements of fluorescence and electron paramagnetic resonance (EPR) to examine the alteration of radicals in wheat seedlings exposed to 2 days of selenium stress. Two genotypes of Polish and one of Finnish wheat, differing in their tolerance to long-term stress treatment, were cultured under hydroponic conditions to achieve the phase of 3-leave seedlings. Afterwards, selenium (sodium selenate, 100 μM concentration) was added to the media. After Se-treatment, all varieties showed an increase in carbohydrates (soluble and starch), ascorbate and glutathione content in comparison to non-stressed plants. These changes were more visible in Finnish wheat. On the basis of lipid peroxidation measurements, Finnish wheat was recognized as the genotype more sensitive to short-term Se-stress than the Polish varieties. The antioxidant enzyme activities (superoxide dismutase, ascorbate peroxidase and glutathione reductase) increased in Polish genotypes, whereas they decreased in Finnish wheat plants cultured on Se media. The action of reactive oxygen species in short-term action of Se stress was confirmed by the reduction of PSII and PSI system activities (measured by fluorescence parameters and EPR, respectively). EPR studies showed changes in redox status (especially connected with Mn(II)/Mn(III), and semiquinone/quinone ratios) in wheat cell after Se treatment. The involvement of the carbohydrate molecules as electron traps in production of long-lived radicals is postulated. Copyright © 2011 Elsevier GmbH. All rights reserved.

  2. EPR study on the ligand-exchange reaction between bis(diethyldiselenocarbamato)copper(II) and bis(octyldithiocarbonato)copper(II)

    Science.gov (United States)

    Yordanov, Nicola D.; Dimitrova, Anna

    2006-03-01

    EPR study on the ligand-exchange reaction between bis(diethyldiselenocarbamato)copper(II), Cu(Et 2dsc) 2, and bis(octyldithiocarbonato)copper(II), Cu(octxant) 2, in CH 2Cl 2, CHCl 3, CCl 4, C 6H 6 and C 6H 5·CH 3 is reported for the first time. Mixing of equimolar amounts of the parents (chromophores CuSe 4 and CuS 4, respectively) in C 6H 6, C 6H 5·CH 3 and CH 2Cl 2 makes EPR signals of both parents superimposed by the spectrum of a mixed-chelate Cu(xant)(dsc) complex (chromophore CuS 2Se 2). A new additional EPR spectrum appears in CHCl 3 or CCl 4 due to a five-coordinate mixed-ligand complex with the chromophore Cu(S 3Se)S as follows by comparing the g-values of parents and mixed-ligand complexes. The appearance of this complex could be explained having in mind donor-acceptor properties of complexes, solvents and the resultant reaction of Cu(octxant) 2 with the ester of diselenocarbamic acid yielded in Cu(Et 2dsc) 2 destruction by CCl 4 or CHCl 3.

  3. Single crystals of DPPH grown from diethyl ether and carbon disulfide solutions - crystal structures, IR, EPR and magnetization studies.

    Science.gov (United States)

    Zilić, Dijana; Pajić, Damir; Jurić, Marijana; Molčanov, Krešimir; Rakvin, Boris; Planinić, Pavica; Zadro, Krešo

    2010-11-01

    Single crystals of the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) obtained from diethyl ether (ether) and carbon disulfide (CS₂) were characterized by the X-ray diffraction, IR, EPR and SQUID magnetization techniques. The X-ray structural analysis and IR spectra showed that the DPPH form crystallized from ether (DPPH1) is solvent free, whereas that one obtained from CS₂ (DPPH2) is a solvate of the composition 4DPPH·CS₂. Principal values of the g-tensor were estimated by the X-band EPR spectroscopy at room and low (10 K) temperatures. Magnetization studies revealed the presence of antiferromagnetically coupled dimers in both types of crystals. However, the way of dimerization as well as the strength of exchange couplings are different in the two DPPH samples, which is in accord with their crystal structures. The obtained results improved parameters accuracy and enabled better understanding of properties of DPPH as a standard sample in the EPR spectrometry. Copyright © 2010 Elsevier Inc. All rights reserved.

  4. High field electron paramagnetic resonance spectroscopy under ultrahigh vacuum conditions—A multipurpose machine to study paramagnetic species on well defined single crystal surfaces

    Science.gov (United States)

    Rocker, J.; Cornu, D.; Kieseritzky, E.; Seiler, A.; Bondarchuk, O.; Hänsel-Ziegler, W.; Risse, T.; Freund, H.-J.

    2014-08-01

    A new ultrahigh vacuum (UHV) electron paramagnetic resonance (EPR) spectrometer operating at 94 GHz to investigate paramagnetic centers on single crystal surfaces is described. It is particularly designed to study paramagnetic centers on well-defined model catalysts using epitaxial thin oxide films grown on metal single crystals. The EPR setup is based on a commercial Bruker E600 spectrometer, which is adapted to ultrahigh vacuum conditions using a home made Fabry Perot resonator. The key idea of the resonator is to use the planar metal single crystal required to grow the single crystalline oxide films as one of the mirrors of the resonator. EPR spectroscopy is solely sensitive to paramagnetic species, which are typically minority species in such a system. Hence, additional experimental characterization tools are required to allow for a comprehensive investigation of the surface. The apparatus includes a preparation chamber hosting equipment, which is required to prepare supported model catalysts. In addition, surface characterization tools such as low energy electron diffraction (LEED)/Auger spectroscopy, temperature programmed desorption (TPD), and infrared reflection absorption spectroscopy (IRAS) are available to characterize the surfaces. A second chamber used to perform EPR spectroscopy at 94 GHz has a room temperature scanning tunneling microscope attached to it, which allows for real space structural characterization. The heart of the UHV adaptation of the EPR experiment is the sealing of the Fabry-Perot resonator against atmosphere. To this end it is possible to use a thin sapphire window glued to the backside of the coupling orifice of the Fabry Perot resonator. With the help of a variety of stabilization measures reducing vibrations as well as thermal drift it is possible to accumulate data for a time span, which is for low temperature measurements only limited by the amount of liquid helium. Test measurements show that the system can detect paramagnetic

  5. High field electron paramagnetic resonance spectroscopy under ultrahigh vacuum conditions—A multipurpose machine to study paramagnetic species on well defined single crystal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Rocker, J.; Cornu, D.; Kieseritzky, E.; Hänsel-Ziegler, W.; Freund, H.-J. [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); Seiler, A. [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); Laboratorium für Applikationen der Synchrotronstrahlung, KIT Campus Süd, Kaiserstr. 12, 76131 Karlsruhe (Germany); Bondarchuk, O. [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); CIC energiGUNE, Parque Tecnologico, C/Albert Einstein 48, CP 01510 Minano (Alava) (Spain); Risse, T., E-mail: risse@chemie.fu-berlin.de [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin (Germany)

    2014-08-01

    A new ultrahigh vacuum (UHV) electron paramagnetic resonance (EPR) spectrometer operating at 94 GHz to investigate paramagnetic centers on single crystal surfaces is described. It is particularly designed to study paramagnetic centers on well-defined model catalysts using epitaxial thin oxide films grown on metal single crystals. The EPR setup is based on a commercial Bruker E600 spectrometer, which is adapted to ultrahigh vacuum conditions using a home made Fabry Perot resonator. The key idea of the resonator is to use the planar metal single crystal required to grow the single crystalline oxide films as one of the mirrors of the resonator. EPR spectroscopy is solely sensitive to paramagnetic species, which are typically minority species in such a system. Hence, additional experimental characterization tools are required to allow for a comprehensive investigation of the surface. The apparatus includes a preparation chamber hosting equipment, which is required to prepare supported model catalysts. In addition, surface characterization tools such as low energy electron diffraction (LEED)/Auger spectroscopy, temperature programmed desorption (TPD), and infrared reflection absorption spectroscopy (IRAS) are available to characterize the surfaces. A second chamber used to perform EPR spectroscopy at 94 GHz has a room temperature scanning tunneling microscope attached to it, which allows for real space structural characterization. The heart of the UHV adaptation of the EPR experiment is the sealing of the Fabry-Perot resonator against atmosphere. To this end it is possible to use a thin sapphire window glued to the backside of the coupling orifice of the Fabry Perot resonator. With the help of a variety of stabilization measures reducing vibrations as well as thermal drift it is possible to accumulate data for a time span, which is for low temperature measurements only limited by the amount of liquid helium. Test measurements show that the system can detect paramagnetic

  6. Study on radiation-induced radicals giving rise to stable EPR signal suitable for the detection of irradiation in L-sorbose-containing fruits

    Directory of Open Access Journals (Sweden)

    Guzik Grzegorz P.

    2016-12-01

    Full Text Available The stable and complex EPR signals produced by the action of ionizing radiation on crystalline L-sorbose (C6H12O6 separated from rowan berries (Sorbus aucuparia were studied. Isothermal heating of the samples at the temperature close to the melting point of L-sorbose (140°C results in the modification and simplification of the EPR signal involved. In the EPR signal of heated L-sorbose, the isotropic quartet was distinguished. In the differential spectrum obtained by subtraction of normalized spectra of unheated and heated L-sorbose, the isotropic doublet was identified in addition. The DFT fitting offers the probable assignment of the EPR signals to specific radical structures.

  7. High-field magnetization studies of NdNi{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Kim-Ngan, N.-T.H. [Center for Solid State Phys., Krakow (Poland)]|[Pedagogical Univ., Krakow (Poland). Inst. of Physics and Informatics; Radwanski, R.J. [Center for Solid State Phys., Krakow (Poland)]|[Pedagogical Univ., Krakow (Poland). Inst. of Physics and Informatics; Kayzel, F.E. [Amsterdam Univ. (Netherlands). Van der Waals-Zeeman Inst.; Franse, J.J.M. [Amsterdam Univ. (Netherlands). Van der Waals-Zeeman Inst.

    1996-05-01

    Magnetization studies on single-crystalline NdNi{sub 5} in external fields up to 35 T are reported. NdNi{sub 5} is a ferromagnet with a T{sub C} of 7.2 K and the easy magnetic direction is along the a direction. The spontaneous magnetic moment is 2.1{mu}{sub B}/f.u. Along the c-axis, the magnetization amounts to 1.65{mu}{sub B}/f.u. at 35 T. The magnetization process is analyzed within the crystalline electric field approach in combination with exchange interactions, taking into account the contribution of the Ni sublattice. The studies confirm that the charge-formed ground state of the f{sup 3} (Nd{sup 3+}) subsystem is the state {Gamma}{sub 8} with a dominant vertical stroke {+-}5/2 right angle contribution. The full magnetization curves, up to 300 T, have been calculated. The magnetization curve along the c-axis proceeds to saturation with a metamagnetic-like transition at 150 T. (orig.).

  8. Enhanced Field Emission Studies on Niobium Surfaces Relevant to High Field Superconducting Radio-Frequency Devices

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Tong [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)

    2002-09-18

    Enhanced field emission (EFE) presents the main impediment to higher acceleration gradients in superconducting niobium (Nb) radiofrequency cavities for particle accelerators. The strength, number and sources of EFE sites strongly depend on surface preparation and handling. The main objective of this thesis project is to systematically investigate the sources of EFE from Nb, to evaluate the best available surface preparation techniques with respect to resulting field emission, and to establish an optimized process to minimize or eliminate EFE. To achieve these goals, a scanning field emission microscope (SFEM) was designed and built as an extension to an existing commercial scanning electron microscope (SEM). In the SFEM chamber of ultra high vacuum, a sample is moved laterally in a raster pattern under a high voltage anode tip for EFE detection and localization. The sample is then transferred under vacuum to the SEM chamber equipped with an energy-dispersive x-ray spectrometer for individual emitting site characterization. Compared to other systems built for similar purposes, this apparatus has low cost and maintenance, high operational flexibility, considerably bigger scan area, as well as reliable performance. EFE sources from planar Nb have been studied after various surface preparation, including chemical etching and electropolishing, combined with ultrasonic or high-pressure water rinse. Emitters have been identified, analyzed and the preparation process has been examined and improved based on EFE results. As a result, field-emission-free or near field-emission-free surfaces at ~140 MV/m have been consistently achieved with the above techniques. Characterization on the remaining emitters leads to the conclusion that no evidence of intrinsic emitters, i.e., no fundamental electric field limit induced by EFE, has been observed up to ~140 MV/m. Chemically etched and electropolished Nb are compared and no significant difference is observed up to ~140 MV/m. To

  9. EPR studies of free radicals in A-2058 human melanoma cells treated by valproic acid and 5,7-dimethoxycoumarin.

    Science.gov (United States)

    Zdybel, Magdalena; Chodurek, Ewa; Pilawa, Barbara

    2014-01-01

    Free radicals in A-2058 human melanoma cells were studied by the use of electron paramagnetic resonance (EPR) spectroscopy. The aim of this work was to determine the changes in relative free radical concentrations in tumor A-2058 cells after treatment by valproic acid (VPA) and 5,7-dimethoxycoumarin (DMC). The influences of VPA and DMC on free radicals in A-2058 cells were compared with those for human melanoma malignum A-375 and G-361 cells, which were tested by us earlier. Human malignant melanoma A-2058 cells were exposed to interactions with VPA, DMC, and both VPA and DMC. The tumor cells A-2058 were purchased from LGC Standards (Lomianki, Poland), and they were grown in the standard conditions: at 37°C and in an atmosphere containing 95% air and 5% CO2, in the Minimum Essential Medium Eagle (MEM, Sigma-Aldrich). The A-2058 cells were incubated with VPA (1 mM) and DMC (10 μM) for 4 days. The first-derivative EPR spectra of the control A-2058 cells, and the cells treated with VPA, DMC, and both VPA and DMC, were measured by the electron paramagnetic resonance spectrometer of Radiopan (Poznań, Poland) with microwaves from an X-band (9.3 GHz). The parameters of the EPR lines: amplitudes (A), integral intensities (I), line widths (ΔBpp), and g-factors, were analyzed. The changes of amplitudes and line widths with microwave power increasing from 2.2 to 70 mW were drawn evaluated, o-Semiquinone free radicals of melanin biopolymer are mainly responsible for the EPR lines of A-2058 melanoma malignum cells. The amounts of free radicals in A-2058 cells treated with VPA, and both VPA and DMC, were lower than in the untreated control cells. Application of the tested substances (VPA, and both VPA and DMC) as the antitumor compounds was discussed. DMC without VPA did not decrease free radicals concentration in A-2058 cells. The studies con-firmed that EPR spectroscopy may be used to examine interactions of free radicals with antitumor compounds.

  10. EPR spectroscopy of spices

    Directory of Open Access Journals (Sweden)

    R. T. Тimakova

    2016-01-01

    Full Text Available From 01 January 2017 you enter the interstate standard GOST 33271-2015 “Dry Spices, herbs and vegetable seasonings. Manual exposure in order to combat pathogens and other microorganisms” which States that the absorbed dose of radiation to the spices should be from 3 to 30 kGy. The study found that before the introduction of permissive legislative framework in the consumer market of Russia there are irradiated food products (chili, ground chili, ground spicy chili, black pepper. For radiation monitoring of food safety, we used the method of electron paramagnetic resonance (EPR, which allows quickly and with a high degree of reliability to establish the fact of irradiation. It is established that all samples of spices irradiated with dose of 12 kGy (technology radappertization gave typical spectra of the signals established by the method of electron paramagnetic resonance in the domestic EPR spectrometer, the intensity, amplitude and peak width of the EPR signal of samples of spices with the increase of irradiation dose increases. It is proven that repeated exposure no effect accumulation. Integration with 2017 Russia in the global practi ce of using radiation technologies of processing of food products and food raw materials with the purpose of extending shelf life confirms the need for a data Bank on the radiation sensitivity of various food products to determine the optimal doses and the eff ect of radiation doses on the shelf life and quality of products.

  11. Electrochemical behaviour of gold modified with contaminated TMP amine adlayers studied by STM, CV, EPR

    Energy Technology Data Exchange (ETDEWEB)

    Krukowski, P. [Division of Physics and Technology of Nanometric Structures, Solid State Physics Department, University of Lodz, Pomorska 149/153, 90-236 Lodz (Poland)], E-mail: pkrukowski@std2.phys.uni.lodz.pl; Kowalczyk, P.J. [Division of Physics and Technology of Nanometric Structures, Solid State Physics Department, University of Lodz, Pomorska 149/153, 90-236 Lodz (Poland); Krzyczmonik, P. [Department of General and Inorganic Chemistry, University of Lodz, Narutowicza 68, 90-136 Lodz (Poland); Olejniczak, W.; Klusek, Z.; Puchalski, M. [Division of Physics and Technology of Nanometric Structures, Solid State Physics Department, University of Lodz, Pomorska 149/153, 90-236 Lodz (Poland); Gwozdzinski, K. [Department of Molecular Biophysics, University of Lodz, Banacha 12/16, 90-237 Lodz (Poland)

    2009-01-15

    Scanning tunnelling microscopy (STM), cyclic voltammetry (CV) and electron paramagnetic resonance spectroscopy (EPR) were used to investigate the influence of the TMP amine derivative on Au (1 1 1). The STM results show that the gold surface covered by the adlayer of the TMP derivative is easily modified (holes formation) after increasing the bias voltage to 0.5 V. The CV and EPR results show the electrochemical origin of observed STM topography changes. It is suggested that TMP could be oxidized to the nitroxyl TEMPO radical which adsorbs on Au in the form of an oxoammonium cation. Such an oxoammonium cation at the potential of 0.5 V forms a permanent complex of gold and the nitroxyl radical which could be easily desorbed during STM imaging.

  12. EPR studies of carbonaceous compounds deposited on Al-MCM-41

    Energy Technology Data Exchange (ETDEWEB)

    Nowak, L.; Lezanska, M.; Rozwadowski, M.; Rozploch, F.; Marciniak, W

    2002-11-30

    Electron paramagnetic resonance (EPR) spectroscopy was used to investigate carbonaceous compounds deposited on aluminosilicate mesoporous molecular sieves of the MCM-41 type during conversion of cyclohexene at various temperatures. The amount of the deposited coke grew with the increasing Al content of the catalysts and with the decreasing reaction temperature. The deposits caused a reduction in both the surface area and pore volume of the Al-MCM-41 materials. The measurements showed that the EPR lines were complex. The performed analysis revealed a hyperfine structure the envelope of which was of the Gaussian shape. It was found that the spin concentration increased and the peak-to-peak width ({delta}B{sub pp}) decreased with the increasing reaction temperature.

  13. CONFORMATIONAL EQUILIBRIA OF BULGED SITES IN DUPLEX DNA STUDIED BY EPR SPECTROSCOPY

    OpenAIRE

    Smith, Alyssa L.; Cekan, Pavol; Brewood, Greg P.; Okonogi, Tamara M.; Alemayehu, Saba; Hustedt, Eric J.; Benight, Albert S.; Sigurdsson, Snorri Th.; Robinson, Bruce H.

    2009-01-01

    Conformational flexibility in nucleic acids provides a basis for complex structures, binding, and signaling. One-base bulges directly neighboring single-base mismatches in nucleic acids can be present in a minimum of two distinct conformations, complicating the examination of the thermodynamics by calorimetry or UV-monitored melting techniques. To provide additional information about such structures, we demonstrate how electron paramagnetic resonance (EPR) active spin-labeled base analogues, ...

  14. Synthesis and EPR studies of the first water-soluble N@C60 derivative.

    Science.gov (United States)

    Cornes, Stuart P; Zhou, Shen; Porfyrakis, Kyriakos

    2017-11-28

    The first water-soluble derivative of the paramagnetic endohedral fullerene N@C60 has been prepared through the covalent attachment of a single addend containing two permethylated β-cyclodextrin units to the surface of the carbon cage. The line width of the derivative's EPR signal is highly sensitive to both the nature of the solvent and the presence of Cu(ii) ions in solution.

  15. Radical model of arsenic(III) toxicity: theoretical and EPR spin trapping studies.

    Science.gov (United States)

    Zamora, Pedro L; Rockenbauer, Antal; Villamena, Frederick A

    2014-05-19

    Arsenic is one of the most environmentally significant pollutants and a great global health concern. Although a growing body of evidence suggests that reactive oxygen species (ROS) mediate the mechanism of arsenic toxicity, the exact mechanism remains elusive. In this study, we examine the capacity of trivalent arsenic species arsenous acid (iAs(III)), monomethylarsonous acid (MMA(III)), and dimethylarsinous acid (DMA(III)) to generate ROS through a theoretical analysis of their structures, redox properties, and their reactivities to various ROS using a density functional theory (DFT) approach at the B3LYP/6-31+G**//B3LYP/6-31G* level of theory and by employing electron paramagnetic resonance (EPR) spin trapping studies using 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) as a spin trap. Results show that the oxidized forms (As(IV)) are structurally more stable compared to the reduced forms (As(II)) that impart elongated As-O bonds leading to the formation of As(III) and hydroxide anion. Enthalpies of one-electron reduction and oxidation indicate that increasing the degree of methylation makes it harder for As(III) to be reduced but easier to be oxidized. The order of increasing favorability for arsenical activation by ROS is O2 redox pathways with concomitant generation of radicals. This is followed by MMA(III) and by iAs(III) being the least favorable. Spin trapping studies showed a higher propensity for methylated arsenicals to generate radicals than iAs(III) upon treatment with H2O2. However, in the presence of Fe(II,III), all showed radical generation where MMA(III) gave predominantly C-centered adducts, while acidified iAs (III) and DMA(III) gave primarily HO-adducts, and their formation was affected in the presence of SOD suggesting a As(III)-OO/OOH radical intermediate. Therefore, our results suggest a basis for the increased redox activity of methylated arsenicals that can be applied to the observed trends in arsenic methylation and toxicity in biological systems.

  16. A study of high field quantum electrodynamics in the collision of high energy electrons with a terawatt laser

    Energy Technology Data Exchange (ETDEWEB)

    Horton-Smith, G.A.

    1998-07-01

    An experiment is described which studied quantum electrodynamic interactions under conditions of extremely high fields, along with a review of the relevant theory. The high fields were created by an intense, tightly-focused pulse of laser light at green or infrared wavelengths, into which was sent an ultra-relativistic electron beam of 46.6-GeV energy. The relevant theory is that of an electron in an electromagnetic wave so intense that the electron's mass is effectively shifted by the transverse momentum imparted to it by the wave, and the electron encounters field strengths comparable to the Schwinger critical field strength of 511 kV per Compton wavelength. An electron in the intense wave may radiate a photon and balance 4-momentum by absorbing multiple photons from the laser, which can lead to real photons with energies above the kinematic limit for conventional Compton scattering. All particles have significant probability of scattering multiple times while in the focus of the laser, including the photons radiated by the electrons, which may convert into electron-positron pairs, again with absorption of multiple photons from the laser. This experiment was able to measure the rates and spectra of positrons, electrons, and photons emerging from the interaction region. Results from both experiment and theoretical simulations are presented and compared. The results from the electron and positron measurements are compatible with the accepted theory, within experimental uncertainties due mainly to the laser intensity measurement. The photon spectrum shows the correct shape, but the ratio of rates in the linear and two-absorbed-photon portions of the spectrum does not vary as expected with the laser intensity, suggesting a disagreement with the accepted theory, with a significance of roughly two standard deviations. A follow-up experiment would be in order.

  17. Spectroscopic characterization and EPR spectral studies on transition metal complexes with a novel tetradentate, 12-membered macrocyclic ligand

    Science.gov (United States)

    Gupta, Lokesh Kumar; Chandra, Sulekh

    2006-11-01

    Complexes of Cr(III), Mn(II), Co(II), Ni(II) and Cu(II) containing a tetradentate macrocyclic N-donor ligand have been prepared via template reaction of 2,3-pentanedione, ethylene-di-ammine and transition metal ions. The complexes have been characterized on the basis of the elemental analysis, molar conductance, magnetic moment susceptibility, IR, electronic and EPR spectral studies. The complexes are of high spin type and possess four coordinate tetrahedral five coordinate square pyramidal and six coordinated octahedral/tetragonal geometry.

  18. Resonance Raman and EPR spectroscopic studies on heme-heme oxygenase complexes.

    Science.gov (United States)

    Sun, J; Wilks, A; Ortiz de Montellano, P R; Loehr, T M

    1993-12-28

    The binding of ferrous and ferric hemes and manganese(II)- and manganese(III)-substituted hemes to heme oxygenase has been investigated by optical absorption, resonance Raman, and EPR spectroscopy. The results are consistent with the presence of a six-coordinate heme moiety ligated to an essential histidine ligand and a water molecule. The latter ionizes with a pKa approximately 8.0 to give a mixture of high-spin and low-spin six-coordinate hydroxo adducts. Addition of excess cyanide converts the heme to a hexacoordinate low-spin species. The resonance Raman spectrum of the ferrous heme-heme oxygenase complex and that of the Mn(II)protoporphyrin-heme oxygenase complex shows bands at 216 and 212 cm-1, respectively, that are assigned to the metal-histidine stretching mode. The EPR spectrum of the oxidized heme-heme oxygenase complex has a strongly axial signal with g parallel of approximately 6 and g perpendicular approximately 2. 14NO and 15NO adducts of ferrous heme-heme oxygenase exhibit EPR hyperfine splittings of approximately 20 and approximately 25 Gauss, respectively. In addition, both nitrosyl complexes show additional superhyperfine splittings of approximately 7 Gauss from spin-spin interaction with the proximal histidine nitrogen. The heme environment in the heme-heme oxygenase enzyme-substrate complex has spectroscopic properties similar to those of the heme in myoglobin. Hence, there is neither a strongly electron-donating fifth (proximal) ligand nor an electron-withdrawing network on the distal side of the heme moiety comparable to that for cytochromes P-450 and peroxidases. This observation has profound implications about the nature of the oxygen-activating process in the heme-->biliverdin reaction that are discussed in this paper.

  19. Two-dimensional Pulsed EPR Studies of Vanadium-Exchanged ZSM-5

    Energy Technology Data Exchange (ETDEWEB)

    Woodworth, James F.; Bowman, Michael K.; Larsen, Sarah C.

    2004-10-14

    The pulsed electron paramagnetic resonance (EPR) technique of hyperfine sublevel correlation spectroscopy (HYSCORE) was used to obtain structural information about vanadium(VO2+) exchanged ZSM-5. HYSCORE spectra were obtained for vanadium exchanged ZSM-5 before and after dehydration and after adsorption of ammonia. For the hydrated samples, proton hyperfine coupling constants were measured and assigned to equatorial water ligands with orientations perpendicular and parallel to the equatorial plane. Nitrogen hyperfine coupling constants for adsorbed ammonia were also determined from the HYSCORE spectra. The results were compared with previous density functional theory (DFT) calculations of hyperfine coupling constants for vanadyl model complexes.

  20. Free radicals in virgin olive oil: a spin trapping EPR study

    OpenAIRE

    Avramiotis, S.; Georgalaki, M.; Cazianis, C.T.; Sotiroudis, Theodore G.; Xenakis, Aristotelis

    2008-01-01

    The spin trap 5.5-dimethyl-1-pyrroline-N-oxide (DMPO) has been used as a probe for monitoring the oxidation properties of virgin olive oil and the detection of free radicals produced in the oil during storage. When DMPO is added in an olive oil sample (or in oxidised triolein) a 12-line Electron Paramagnetic Resonance (EPR) signal is recorded suggesting the trapping of alkoxyl radicals In presence of ethanol the formation of hydroxyl radicals is also detected. The 12-line spectrum changes gra...

  1. Light-induced EPR study of a direct light conversion by polymer/fullerene bulk heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Krinichnyi, V.I.; Yudanova, E.I. [Institute of Problems of Chemical Physics, Chernogolovka (Russian Federation)

    2010-07-01

    Paramagnetic charge carriers photoinduced in poly(3-alkylthiophene)s modified by 6,6-phenyl-C{sub 61}-butanoic acid methyl ester (PCBM) and bis-PCBM by photons with the energy of 1.98 - 2.73 eV were investigated by X-band Light-Induced EPR (LEPR) method. LEPR spectra were attributed to non-interacting polarons and methanofullerene anion-radicals with different magnetic and relaxation parameters. A part of these charge carriers was proved to be trapping in a polymer matrix. The number of mobile charge carriers and their relaxation follow activation law. (orig.)

  2. In Situ EPR Studies of Reaction Pathways in Titania Photocatalyst-Promoted Alkylation of Alkenes

    Directory of Open Access Journals (Sweden)

    Shona Rhydderch

    2015-03-01

    Full Text Available In situ EPR spectroscopy at cryogenic temperatures has been used to observe and identify paramagnetic species produced when titania is irradiated in the presence of reactants used in the photocatalytic alkylation of maleimide with t-butyl carboxylic acid or phenoxyacetic acid. It is shown that maleimide acts as an acceptor of conduction band electrons. Valence band holes oxidise t-butyl carboxylic acid to the t-butyl radical and phenoxyacetic acid to the phenoxyacetic acid radical cation. In the presence of maleimide, the phenoxymethyl radical is formed from phenoxyacetic acid. The relevance of these observations to the mechanisms of titania photocatalyst-promoted alkylation of alkenes is discussed.

  3. Kinetics of elimination and distribution in blood and liver of biocompatible ferrofluids based on Fe{sub 3}O{sub 4} nanoparticles: An EPR and XRF study

    Energy Technology Data Exchange (ETDEWEB)

    Gamarra, L.F. [Instituto de Ensino e Pesquisa, Hospital Israelita Albert Einstein, Sao Paulo 05651-901 (Brazil); Instituto de Fisica, Universidade de Sao Paulo, Sao Paulo 05315-970 (Brazil)], E-mail: lgamarra@if.usp.br; Pontuschka, W.M. [Instituto de Fisica, Universidade de Sao Paulo, Sao Paulo 05315-970 (Brazil); Amaro, E. [Instituto de Ensino e Pesquisa, Hospital Israelita Albert Einstein, Sao Paulo 05651-901 (Brazil); Instituto de Radiologia, Faculdade de Medicina, Universidade de Sao Paulo, Sao Paulo 05403-001 (Brazil); Costa-Filho, A.J. [Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo, Sao Carlos 13560-970 (Brazil); Brito, G.E.S. [Instituto de Fisica, Universidade de Sao Paulo, Sao Paulo 05315-970 (Brazil); Vieira, E.D. [Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo, Sao Carlos 13560-970 (Brazil); Carneiro, S.M. [Laboratorio de Biologia Celular, Instituto Butantan, Sao Paulo 05503-900 (Brazil); Escriba, D.M. [Instituto de Fisica, Universidade de Sao Paulo, Sao Paulo 05315-970 (Brazil); Falleiros, A.M.F. [Centro de Ciencias Biologicas, Universidade Estadual de Londrina 86051-990 (Brazil); Salvador, V.L. [Centro de aplicacoes e Lasers, IPEN, Sao Paulo 05508-000 (Brazil)

    2008-05-01

    In this study, we evaluated the biodistribution and the elimination kinetics of a biocompatible magnetic fluid, Endorem{sup TM}, based on dextran-coated Fe{sub 3}O{sub 4} nanoparticles endovenously injected into Winstar rats. The iron content in blood and liver samples was recorded using electron paramagnetic resonance (EPR) and X-ray fluorescence (XRF) techniques. The EPR line intensity at g = 2.1 was found to be proportional to the concentration of magnetic nanoparticles and the best temperature for spectra acquisition was 298 K. Both EPR and XRF analysis indicated that the maximum concentration of iron in the liver occurred 95 min after the ferrofluid administration. The half-life of the magnetic nanoparticles (MNP) in the blood was (11.6 {+-} 0.6) min measured by EPR and (12.6 {+-} 0.6) min determined by XRF. These results indicate that both EPR and XRF are very useful and appropriate techniques for the study of kinetics of ferrofluid elimination and biodistribution after its administration into the organism.

  4. SOM assembly of hydroxynaphthoquinone and its oxime: Polymorphic X-ray structures and EPR studies

    Science.gov (United States)

    Todkary, Ashwini V.; Dalvi, Rupali; Salunke-Gawali, Sunita; Linares, Jorge; Varret, François; Marrot, Jérôme; Yakhmi, Jatinder V.; Bhadbhade, Mohan; Srinivas, D.; Gejji, Shridhar P.; Rane, Sandhya Y.

    2006-01-01

    Investigation on solvent-induced polymorphism in X-ray structures of 2-hydroxy-1,4-naphthoquinone (Lawsone) 1, is carried out. In protic methanol, 1 crystallizes in monoclinic space group P21/c (1a) comprising of 2D hydrogen bonded network via cyclic dimers. In aprotic solvent such as acetone on the other hand, 1 exhibits orthorhombic space group Pna 21 (1b) and emerges with 1D catemeric chain. Solvent-induced topological isomerism of cyclic dimers and helical catemeric chains arising from (i) bifurcated intra- and inter molecular hydrogen bondings viz. Osbnd H ⋯Odbnd C interactions between C(2) hydroxyl and C(1), C(4) carbonyls, (ii) Csbnd H ⋯O interactions viz. C(3)sbnd H ⋯O(1)C(1) have been discussed. A signal for radical in 1 at g = 2.0058 is signatured by EPR spectrum and it's oxime derivative viz. 2-hydroxy-4-naphthoquinone-1-oxime 2, in solid state shows biradical and monoradical formation with aggregation of dimer and monomer due to non-covalent hydrogen bonds. Zero field split parameters for 2 are estimated to be D = 215 G, Ex = 13 G, Ey = 47 G at 298 K. A half field signal at 77 K indicates triplet ground state. Frozen glass EPR of 2 resolves as regioregular dimeric-monomeric species showing hyperfine interactions with 1-oximino nitrogen in dimer Abar(14N) = 15.5 G].

  5. Radical Intermediates in Photoinduced Reactions on TiO2 (An EPR Spin Trapping Study

    Directory of Open Access Journals (Sweden)

    Dana Dvoranová

    2014-10-01

    Full Text Available The radical intermediates formed upon UVA irradiation of titanium dioxide suspensions in aqueous and non-aqueous environments were investigated applying the EPR spin trapping technique. The results showed that the generation of reactive species and their consecutive reactions are influenced by the solvent properties (e.g., polarity, solubility of molecular oxygen, rate constant for the reaction of hydroxyl radicals with the solvent. The formation of hydroxyl radicals, evidenced as the corresponding spin-adducts, dominated in the irradiated TiO2 aqueous suspensions. The addition of 17O-enriched water caused changes in the EPR spectra reflecting the interaction of an unpaired electron with the 17O nucleus. The photoexcitation of TiO2 in non-aqueous solvents (dimethylsulfoxide, acetonitrile, methanol and ethanol in the presence of 5,5-dimethyl-1-pyrroline N-oxide spin trap displayed a stabilization of the superoxide radical anions generated via electron transfer reaction to molecular oxygen, and various oxygen- and carbon-centered radicals from the solvents were generated. The character and origin of the carbon-centered spin-adducts was confirmed using nitroso spin trapping agents.

  6. Growth, optical and EPR studies of {sup 151}Eu{sup 2+}:YAG single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Petrosyan, A.G., E-mail: pet@ipr.sci.am [Institute for Physical Research, National Academy of Sciences, Ashtarak, 0203 (Armenia); Asatryan, H.R. [Ioffe Physical-Technical Institute, Politekhnicheskaya ul. 26, St. Petersburg, 194021 (Russian Federation); Hovhannesyan, K.L.; Derdzyan, M.V. [Institute for Physical Research, National Academy of Sciences, Ashtarak, 0203 (Armenia); Feofilov, S.P. [Ioffe Physical-Technical Institute, Politekhnicheskaya ul. 26, St. Petersburg, 194021 (Russian Federation); Eganyan, A.V.; Sargsyan, R.S. [Institute for Physical Research, National Academy of Sciences, Ashtarak, 0203 (Armenia)

    2017-01-01

    Single crystals of {sup 151}Eu:YAG were grown by the vertical Bridgman method using Eu{sub 2}O{sub 3} with isotopic enrichment of {sup 151}Eu of 97.5%. Additional Hf{sup 4+}or Si{sup 4+} ions were introduced to favor a high concentrations of Eu{sup 2+}. As compared to Eu:YAG with natural isotope composition, the EPR spectra of YAG doped with {sup 151}Eu isotope show a reduced number of hyperfine structure components and a well-resolved structure of a bigger number of electronic transitions. Optical properties of obtained crystals and the effects of heat treatments under oxidizing and reducing conditions are reported. Based on the analysis of Eu{sup 3+} distribution in oxidized Eu,Hf:YAG, in comparison to that in Eu:YAG, the concentration of Eu{sup 2+} in as-grown Eu,Hf:YAG is determined. - Highlights: • YAG:Eu,Hf single crystals containing only {sup 151}Eu isotopes were prepared. • isotopic enriched crystals gave a well-resolved EPR hyperfine structure of Eu{sup 2+} centers. • the redox ratio was followed through the Eu{sup 2+} associated absorption band at 250 nm. • the band intensities at 378 nm correlate with the Eu{sup 2+} concentration.

  7. SOM assembly of hydroxynaphthoquinone and its oxime: polymorphic X-ray structures and EPR studies.

    Science.gov (United States)

    Todkary, Ashwini V; Dalvi, Rupali; Salunke-Gawali, Sunita; Linares, Jorge; Varret, François; Marrot, Jérôme; Yakhmi, Jatinder V; Bhadbhade, Mohan; Srinivas, D; Gejji, Shridhar P; Rane, Sandhya Y

    2006-01-01

    Investigation on solvent-induced polymorphism in X-ray structures of 2-hydroxy-1,4-naphthoquinone (Lawsone) 1, is carried out. In protic methanol, 1 crystallizes in monoclinic space group P2(1)/c (1a) comprising of 2D hydrogen bonded network via cyclic dimers. In aprotic solvent such as acetone on the other hand, 1 exhibits orthorhombic space group Pna 2(1) (1b) and emerges with 1D catemeric chain. Solvent-induced topological isomerism of cyclic dimers and helical catemeric chains arising from (i) bifurcated intra- and inter molecular hydrogen bondings viz. O-H...O=C interactions between C(2) hydroxyl and C(1), C(4) carbonyls, (ii) C-H...O interactions viz. C(3)-H...O(1)C(1) have been discussed. A signal for radical in 1 at g = 2.0058 is signatured by EPR spectrum and it's oxime derivative viz. 2-hydroxy-4-naphthoquinone-1-oxime 2, in solid state shows biradical and monoradical formation with aggregation of dimer and monomer due to non-covalent hydrogen bonds. Zero field split parameters for 2 are estimated to be D = 215 G, Ex = 13 G, Ey = 47 G at 298 K. A half field signal at 77 K indicates triplet ground state. Frozen glass EPR of 2 resolves as regioregular dimeric-monomeric species showing hyperfine interactions with 1-oximino nitrogen in dimer A (14N) = 15.5 G].

  8. Magnetic properties and electronic structure of manganese-based blue pigments: a high-frequency and -field EPR study.

    Science.gov (United States)

    Krzystek, J; Telser, Joshua; Li, Jun; Subramanian, M A

    2015-09-21

    A variety of new oxide-based materials based on hexagonal phase of YInO3 have been recently described. In some of these materials, the In(III) ions are substituted by Mn(III), which finds itself in a trigonal-bipyramidal (TBP) coordination environment. While YInO3 is colorless and YMnO3 is black, mixed systems YIn1-xMnxO3 (0.02 EPR) in its high-frequency and -field version (HFEPR), a technique ideally suited for transition metal ions such as Mn(III) that, in contrast to, for example, Mn(II), are difficult to study by EPR at (conventional) low frequency and field. YIn1-xMnxO3 with 0.02 < x < 0.2 exhibited high-quality HFEPR spectra up to room temperature that could be interpreted as arising from isolated S = 2 paramagnets. A simple ligand-field model, based on the structure and optical spectra, explains the spin Hamiltonian parameters provided by HFEPR, which were D = +3.0 cm(-1), E = 0; g⊥ = 1.99, g∥ = 2.0. This study demonstrates the general applicability of a combined spectroscopic and classical theoretical approach to understanding the electronic structure of novel materials containing paramagnetic dopants. Moreover, HFEPR complements optical and other experimental methods as being a sensitive probe of dopant level.

  9. EPR study of the production of OH radicals in aqueous solutions of uranium irradiated by ultraviolet light

    Directory of Open Access Journals (Sweden)

    MARKO DAKOVIĆ

    2009-06-01

    Full Text Available The aim of the study was to establish whether hydroxyl radicals (•OH were produced in UV-irradiated aqueous solutions of uranyl salts. The production of •OH was studied in uranyl acetate and nitrate solutions by an EPR spin trap method over a wide pH range, with variation of the uranium concentrations. The production of •OH in uranyl solutions irradiated with UV was unequivocally demonstrated for the first time using the EPR spin-trapping method. The production of •OH can be connected to speciation of uranium species in aqueous solutions, showing a complex dependence on the solution pH. When compared with the results of radiative de-excitation of excited uranyl (*UO22+ by the quenching of its fluorescence, the present results indicate that the generation of hydroxyl radicals plays a major role in the fluorescence decay of *UO22+. The role of the presence of carbonates and counter ions pertinent to environmental conditions in biological systems on the production of hydroxyl radicals was also assessed in an attempt to reveal the mechanism of *UO22+ de-excitation. Various mechanisms, including •OH production, are inferred but the main point is that the generation of •OH in uranium containing solutions must be considered when assessing uranium toxicity.

  10. Quantitative EPR study on free radicals in the natural polyphenols interacting with metal ions and other environmental pollutants

    Science.gov (United States)

    Jezierski, Adam; Czechowski, Franciszek; Jerzykiewicz, Maria; Golonka, Iwona; Drozd, Jerzy; Bylinska, Ewa; Chen, Yona; Seaward, Mark R. D.

    2002-04-01

    Quantitative electron paramagnetic resonance (EPR) method was applied to characterise radicals stabilised in polyphenolic matrices of various biogenic materials: lichens, mosses, composts, soils, peats, brown coals and sewage sludge sediments. The investigations were carried out on raw materials and extracted fractions of humic acids (HA). General trends of g value and spin concentration changes were found. These parameters in lichens strongly depend on lichen species and air pollution. Determination of the g value and semiquinone spin concentration allows to assess degree of transformation of organic matter in compost, soil, peat and lignite. Application of gaseous ammonia as a base penetrating the organic matrices extends the possibilities and usefulness of the method. Interaction of metal ions with humic materials is illustrated by interaction of VO 2+ ion with peat and lignite HA as well as demineralised (raw and carbonised) brown coal. Our investigations demonstrate that quantitative EPR is a rapid and effective monitoring method to study the influence of various environmental factors on substances containing polyphenolic matrices.

  11. EPR interpretation, magnetism and biological study of a Cu(II) dinuclear complex assisted by a schiff base precursor.

    Science.gov (United States)

    Das, Kuheli; Patra, Chiranjit; Sen, Chandana; Datta, Amitabha; Massera, Chiara; Garribba, Eugenio; El Fallah, Mohamed Salah; Beyene, Belete B; Hung, Chen-Hsiung; Sinha, Chittaranjan; Askun, Tulin; Celikboyun, Pinar; Escudero, Daniel; Frontera, Antonio

    2017-06-01

    A new Cu(II) dinuclear complex, Cu2L2 (1) was afforded employing the potentially pentatentate Schiff base precursor H2L, a refluxed product of o-vanillin and diethylenetriamine in methanol. Complex 1 was systematically characterized by FTIR, UV-Vis, emission and EPR spectrometry. The single crystal X-ray diffraction analysis of 1 reveals that the copper atom exhibits a distorted square planar geometry, comprising two pairs of phenolato-O and imine-N donors from two different H2L ligands. The temperature dependent magnetic interpretation agrees with the existence of weak antiferromagnetic interactions between the bridging dinuclear Cu(II) ions. A considerable body of experimental evidence has been accumulated to elucidate the magneto-structural relationship in this dinuclear Cu(II) complex by DFT computation. Both the ligand and complex 1 exhibit anti-mycobacterial activity and considerable efficacy on M. tuberculosis H37Ra (ATCC 25177) and M. tuberculosis H37Rv (ATCC 25618) strains. The practical applicability of the ligand and complex 1 has been examined in living cells (African Monkey Vero Cells). The MTT assay proves the non-toxicity of the probe up to 100 mg mL-1. A new homometallic dinuclear Cu(II) complex is afforded with a tetradentate Schiff base precursor. EPR interpretation and temperature dependent magnetic studies show that complex 1 has weak antiferromagnetic coupling and DFT computation is governed to explain the magneto-structural correlation.

  12. EPR studies of chromium(V) intermediates generated via reduction of chromium(VI) by DOPA and related catecholamines

    DEFF Research Database (Denmark)

    Pattison, D I; Lay, P A; Davies, Michael Jonathan

    2000-01-01

    The reductions of K2Cr2O7 by catecholamines, DOPA, DOPA-beta,beta-d2, N-acetyl-DOPA, alpha-methyl-DOPA, dopamine, adrenaline, noradrenaline, catechol, 1,2-dihydroxybenzoic acid (DHBA), and 4-tert-butylcatechol (TBC), produce a number of Cr(V) electron paramagnetic resonance (EPR) signals. These s......The reductions of K2Cr2O7 by catecholamines, DOPA, DOPA-beta,beta-d2, N-acetyl-DOPA, alpha-methyl-DOPA, dopamine, adrenaline, noradrenaline, catechol, 1,2-dihydroxybenzoic acid (DHBA), and 4-tert-butylcatechol (TBC), produce a number of Cr(V) electron paramagnetic resonance (EPR) signals...... previously but have been reassigned as octahedral Cr(V) species with mixed catechol-derived ligands, [CrV(semiquinone)2(catecholate)]+. Experiments with excess K2Cr2O7 show complex behavior with the catecholamines and TBC. Several weak Cr(V) signals are detected after mixing, and the spectra evolve over time...... to yield relatively stable substrate-dependent signals at g(iso) approximately 1.980. These signals have been attributed to [Cr(O)L2](L = diolato) species, in which the Cr is coordinated to two cyclized catecholamine ligands and an oxo ligand. Isotopic labeling studies with DOPA (ring or side chain...

  13. Solute distribution and stability in emulsion-based delivery systems: an EPR study.

    Science.gov (United States)

    Yucel, Umut; Elias, Ryan J; Coupland, John N

    2012-07-01

    Oil-in-water emulsions and related systems are often used to deliver hydrophobic solutes in foods, personal care products, and pharmaceuticals. Recent work has considered the use of crystalline lipid carrier particles (i.e., solid lipid nanoparticles, SLN) to control the availability of the solute; however, there is little direct evidence for the localization of small molecules in these systems. Alkanes (10 wt.% tetradecane or eicosane) containing the spin probe 4-phenyl-2,2,5,5-tetramethyl-3-imidazoline-1-oxyl (PTMIO, 200 ppm) were homogenized into sodium caseinate solution (1 wt.%) to produce fine or coarse droplets (0.2 μm or 1.3 μm, respectively) and cooled to 21.5 °C where eicosane is crystalline and tetradecane is liquid. Analysis of the resulting EPR spectra revealed populations of probe in two discrete environments (i.e., aqueous and lipid). PTMIO is largely hydrophobic with 77% and 70% present in the coarse and fine liquid lipid droplets (i.e., tetradecane droplets), respectively. In the solid droplets (i.e., eicosane), all of the probe was excluded from the droplets into the aqueous environment. In all cases, the mobility of the probe in both lipid and aqueous environments was affected by the droplet surface; thus, we hypothesize that the majority of the probe molecules are associated with the droplet interface. The PTMIO was reduced to an EPR-silent form by the addition of iron/ascorbate to the aqueous phase, and the apparent rate constant of the reaction was proportional to the fraction of the spin probe in the aqueous phase. Based on these findings, we propose that droplet crystallization excludes solute molecules from the droplet core to the aqueous environment where they interact with the droplet surface. Copyright © 2012 Elsevier Inc. All rights reserved.

  14. Phenylbutazone Oxidation via Cu,Zn-SOD Peroxidase Activity: An EPR Study.

    Science.gov (United States)

    Aljuhani, Naif; Whittal, Randy M; Khan, Saifur R; Siraki, Arno G

    2015-07-20

    We investigated the effect of Cu,Zn-superoxide dismutase (Cu,Zn-SOD)-peroxidase activity on the oxidation of the nonsteroidal anti-inflammatory drug phenylbutazone (PBZ). We utilized electron paramagnetic resonance (EPR) spectroscopy to detect free radical intermediates of PBZ, UV-vis spectrophotometry to monitor PBZ oxidation, oxygen analysis to determine the involvement of C-centered radicals, and LC/MS to determine the resulting metabolites. Using EPR spectroscopy and spin-trapping with 5,5-dimethyl-1-pyrroline-N-oxide (DMPO), we found that the spin adduct of CO3(•-) (DMPO/(•)OH) was attenuated with increasing PBZ concentrations. The resulting PBZ radical, which was assigned as a carbon-centered radical based on computer simulation of hyperfine splitting constants, was trapped by both DMPO and MNP spin traps. Similar to Cu,Zn-SOD-peroxidase activity, an identical PBZ carbon-centered radical was also detected with the presence of both myeloperoxidase (MPO/H2O2) and horseradish peroxidase (HRP/H2O2). Oxygen analysis revealed depletion in oxygen levels when PBZ was oxidized by SOD peroxidase-activity, further supporting carbon radical formation. In addition, UV-vis spectra showed that the λmax for PBZ (λ = 260 nm) declined in intensity and shifted to a new peak that was similar to the spectrum for 4-hydroxy-PBZ when oxidized by Cu,Zn-SOD-peroxidase activity. LC/MS evidence supported the formation of 4-hydroxy-PBZ when compared to that of a standard, and 4-hydroperoxy-PBZ was also detected in significant yield. These findings together indicate that the carbonate radical, a product of SOD peroxidase activity, appears to play a role in PBZ metabolism. Interestingly, these results are similar to findings from heme peroxidase enzymes, and the context of this metabolic pathway is discussed in terms of a mechanism for PBZ-induced toxicity.

  15. Linking Cr₃ triangles through phosphonates and lanthanides: synthetic, structural, magnetic and EPR studies.

    Science.gov (United States)

    Zangana, Karzan H; Pineda, Eufemio Moreno; Vitorica-Yrezabal, Iñigo J; McInnes, Eric J L; Winpenny, Richard E P

    2014-09-21

    The preparation and structural characterisation of five 3d-4f mixed metal phosphonate cages with general formula [Cr(III)6Ln(III)2(μ3-O)2(H2O)2(O3P(t)Bu)4(O2C(t)Bu)12(HO(i)Bu)2((i)PrNH2)2] where Ln(III) = La, 1; Tb, 3; Dy, 4; Ho, 5 and [Cr(III)6Gd(III)2(μ3-O)2(H2O)2(O3P(t)Bu)4(O2C(t)Bu)12(HO(i)Bu)4] (2) are reported. The structure contains two oxo-centred {Cr3} triangles, bridged by phosphonates and lanthanides. The magnetic behaviour of 1 has been modelled as two non-interacting isosceles triangles, involving two antiferromagnetic interactions (J1 = -8.8 cm(-1)) with a smaller ferromagnetic interaction for the unique edge of the triangle (J2 = +1.3 cm(-1)) giving an isolated S = 3/2 ground state per triangle. The quartet ground state has been proven through simulation of electron paramagnetic resonance (EPR) spectra obtained at the X- and Q-band. EPR simulations have also resulted in the introduction of small single-ion Zero Field Splitting (ZFS) parameters D = ±0.19 cm(-1) and rhombic term E = ±0.02 cm(-1), which are consistent with strong exchange limit calculations for an isolated S = 3/2 (D = ±0.22 and E = ±0.018 cm(-1)).

  16. Does aspartate 170 of the D1 polypeptide ligate the manganese cluster in photosystem II? An EPR and ESEEM Study.

    Science.gov (United States)

    Debus, Richard J; Aznar, Constantino; Campbell, Kristy A; Gregor, Wolfgang; Diner, Bruce A; Britt, R David

    2003-09-16

    Aspartate 170 of the D1 polypeptide provides part of the high-affinity binding site for the first Mn(II) ion that is photooxidized during the light-driven assembly of the (Mn)(4) cluster in photosystem II [Campbell, K. A., Force, D. A., Nixon, P. J., Dole, F., Diner, B. A., and Britt, R. D. (2000) J. Am. Chem. Soc. 122, 3754-3761]. However, despite a wealth of data on D1-Asp170 mutants accumulated over the past decade, there is no consensus about whether this residue ligates the assembled (Mn)(4) cluster. To address this issue, we have conducted an EPR and ESEEM (electron spin-echo envelope modulation) study of D1-D170H PSII particles purified from the cyanobacterium Synechocystis sp. PCC 6803. The line shapes of the S(1) and S(2) state multiline EPR signals of D1-D170H PSII particles are unchanged from those of wild-type PSII particles, and the signal amplitudes correlate approximately with the lower O(2) evolving activity of the mutant PSII particles (40-60% compared to that of the wild type). These data provide further evidence that the assembled (Mn)(4) clusters in D1-D170H cells function normally, even though the assembly of the (Mn)(4) cluster is inefficient in this mutant. In the two-pulse frequency domain ESEEM spectrum of the 9.2 GHz S(2) state multiline EPR signal of D1-D170H PSII particles, the histidyl nitrogen modulation observed at 4-5 MHz is unchanged from that of wild-type PSII particles and no significant new modulation is observed. Three scenarios are presented to explain this result. (1) D1-Asp170 ligates the assembled (Mn)(4) cluster, but the hyperfine couplings to the ligating histidyl nitrogen of D1-His170 are too large or anisotropic to be detected by ESEEM analyses conducted at 9.2 GHz. (2) D1-Asp170 ligates the assembled (Mn)(4) cluster, but D1-His170 does not. (3) D1-Asp170 does not ligate the assembled (Mn)(4) cluster.

  17. Mass, IR, electronic and EPR spectral studies on transition metal complexes with a new tetradentate 12-membered new macrocyclic ligand

    Science.gov (United States)

    Chandra, Sulekh; Gupta, Lokesh Kumar

    2004-11-01

    Complexes of Cr(III), Co(II), Ni(II) and Cu(II) containing a novel macrocyclic tetradentate nitrogen donor (N 4) ligand prepared via reaction of 2,3-hexanedione and ethylenediamine has been prepared and characterized. The newly synthesized ligand (L) and its complexes have been characterized on the basis of elemental analysis, molar conductance, magnetic moment susceptibility, EI-Mass, IR, Electronic and EPR spectral studies. The complexes are of high-spin type and four coordinated tetrahedral, five coordinated square pyramidal and six coordinated octahedral/tetragonal geometries. The ligand (L) and its soluble transition metal complexes have also been screened against different bacteria and plant pathogenic fungi in vitro.

  18. EPR study of gamma and neutron irradiation effects on KU1, KS-4V and Infrasil 301 silica glasses

    Energy Technology Data Exchange (ETDEWEB)

    Lagomacini, Juan C., E-mail: jc.lagomacini@uam.es [Dept. Fisica de Materiales, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Bravo, David [Dept. Fisica de Materiales, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Leon, Monica; Martin, Piedad; Ibarra, Angel [Materiales para Fusion, CIEMAT, Avda. Complutense 22, E-28040 Madrid (Spain); Martin, Agustin [Dept. Fisica e Instalaciones, ETS Arquitectura UPM, E-28040 Madrid (Spain); Lopez, Fernando J. [Dept. Fisica de Materiales, Universidad Autonoma de Madrid, E-28049 Madrid (Spain)

    2011-10-01

    Electron paramagnetic resonance (EPR) studies have been carried out on KU1 and KS-4V high purity quartz glasses and commercial silica Infrasil 301, irradiated with gamma rays up to a dose of 11.6 MGy and neutron fluences of 10{sup 21} and 10{sup 22} n/m{sup 2}. Gamma irradiations produce a much higher concentration of defect centres (mainly E', POR and NBOHC) for KU1 and I301 than for KS-4V silica. In contrast, neutron irradiation at the highest fluence produces similar concentrations in all silica types. These results agree to a good extent with those obtained in previous optical absorption measurements. Moreover, oxygen-related centres (POR and NBOHC) have been well characterized by means of electron paramagnetic resonance.

  19. Reactions of superoxide dismutases with HS(-)/H2S and superoxide radical anion: An in vitro EPR study.

    Science.gov (United States)

    Bolić, Bojana; Mijušković, Ana; Popović-Bijelić, Ana; Nikolić-Kokić, Aleksandra; Spasić, Snežana; Blagojević, Duško; Spasić, Mihajlo B; Spasojević, Ivan

    2015-12-01

    Interactions of hydrogen sulfide (HS(-)/H2S), a reducing signaling species, with superoxide dimutases (SOD) are poorly understood. We applied low-T EPR spectroscopy to examine the effects of HS(-)/H2S and superoxide radical anion O2.- on metallocenters of FeSOD, MnSOD, and CuZnSOD. HS(-)/H2S did not affect FeSOD, whereas active centers of MnSOD and CuZnSOD were open to this agent. Cu(2+) was reduced to Cu(1+), while manganese appears to be released from MnSOD active center. Untreated and O2.- treated FeSOD and MnSOD predominantly show 5 d-electron systems, i.e. Fe(3+) and Mn(2+). Our study provides new details on the mechanisms of (patho)physiological effects of HS(-)/H2S. Copyright © 2015 Elsevier Inc. All rights reserved.

  20. Protonated paramagnetic redox forms of di-o-quinone bridged with p-phenylene-extended TTF: A EPR spectroscopy study

    Directory of Open Access Journals (Sweden)

    Nikolay O. Chalkov

    2016-11-01

    Full Text Available The chemical oxidation and reduction processes of deprotonated, direduced o-quinone-exTTF-o-quinone in protic solvents were studied by EPR spectroscopy. The formation of relatively stable paramagnetic protonated redox forms of the parent triad was very surprising. The character of spin-density distribution in the semiquinone–quinone and semiquinone–catechol redox forms indicates that the p-phenylene-extended tetrathiafulvalene connector provides a quite effective electronic communication channel between dioxolene coordination sites. It was found that the deprotonated, direduced o-quinone-exTTF-o-quinone is capable to reduction of the metal copper in solution. The radical anion species formed in this reaction exists in solution as a solvent-separated ion pair with a copper cation. A character of spin-density distribution in a radical anion species leads to the conclusion that the ligand corresponds to type III of the Robin–Day classification.

  1. Protonated paramagnetic redox forms of di-o-quinone bridged with p-phenylene-extended TTF: A EPR spectroscopy study.

    Science.gov (United States)

    Chalkov, Nikolay O; Cherkasov, Vladimir K; Abakumov, Gleb A; Starikov, Andrey G; Kuropatov, Viacheslav A

    2016-01-01

    The chemical oxidation and reduction processes of deprotonated, direduced o-quinone-exTTF-o-quinone in protic solvents were studied by EPR spectroscopy. The formation of relatively stable paramagnetic protonated redox forms of the parent triad was very surprising. The character of spin-density distribution in the semiquinone-quinone and semiquinone-catechol redox forms indicates that the p-phenylene-extended tetrathiafulvalene connector provides a quite effective electronic communication channel between dioxolene coordination sites. It was found that the deprotonated, direduced o-quinone-exTTF-o-quinone is capable to reduction of the metal copper in solution. The radical anion species formed in this reaction exists in solution as a solvent-separated ion pair with a copper cation. A character of spin-density distribution in a radical anion species leads to the conclusion that the ligand corresponds to type III of the Robin-Day classification.

  2. Study of EPR/ESR Dosimetry in Fingernails as a Method for Assessing Dose of Victims of Radiological Accidents/Incidents

    Science.gov (United States)

    2008-06-17

    factor, μB is the Bohr magneton, equal to 9.2740 E-24 J T-1, and B0 is the magnetic field strength [37]. The separation between the two energy states...use of EPR biodosimetry in calcified tissues (teeth and bones) as an accurate method for retrospective radio -epidemiological studies. It recommended

  3. An EPR Primer

    Indian Academy of Sciences (India)

    IAS Admin

    electron paramagnetic resonance (EPR) is given to help the uninitiated reader to get prepared to appreciate the following article. Electron paramagnetic resonance (EPR), also known as electron spin resonance, (ESR) is a form of spectroscopy dealing with electronic spin-state transitions. These transitions are caused.

  4. CW-EPR study of 2,2,4,4-tetramethyl-3-pentanone oxime single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Sayin, Ulku; Yuksel, Huseyin; Ozmen, Ayhan [Physics Department, Selcuk University, Konya (Turkey); Birey, Mehmet, E-mail: birey@science.ankara.edu.t [Physics Department, Ankara University, Ankara (Turkey)

    2010-12-15

    The electron paramagnetic resonance (EPR) spectra of gamma irradiated single crystals of 2,2,4,4-tetramethyl-3-pentanone oxime (TPO) have been examined between temperatures of 125 and 450 K. The spectra were found to be both dependent on temperature and orientation of single crystals with magnetic field. We attributed radiation damage centers to iminoxy radicals (RC=N{sup {center_dot}}O). There are two similar group of splitting in the spectra because of conformational isomers (R1, R2) of iminoxy radicals produced by gamma irradiation of TPO. Determined g-factor and hyperfine coupling constants for R1 and R2 conformers were found anisotropic with the average values (g{sub iso}){sub R1}=2.01057, (g{sub iso}){sub R2}=2.009337, [(a{sub N}){sub iso}]{sub R1}=28.09 G, [(a{sub N}){sub iso}]{sub R2}=36.34 G, [(a{sub H}){sub iso}]{sub R2}=9.15 G, respectively.

  5. EPR, TEM and cell viability study of asbestiform zeolite fibers in cell media.

    Science.gov (United States)

    Cangiotti, Michela; Salucci, Sara; Battistelli, Michela; Falcieri, Elisabetta; Mattioli, Michele; Giordani, Matteo; Ottaviani, Maria Francesca

    2018-01-01

    Human monocyte U937 cell line was used as a model to verify the toxicity of erionite and offretite asbestiform zeolite fibers. As a presumed non-toxic reference, a fibrous scolecite zeolite was also used. To analyze the process of fiber ingestion into cells and the cells-fibers interactions, a spin-probe electron paramagnetic resonance (EPR) analysis was performed supported by transmission electron microscopy (TEM) and cell viability measurements as a function of the incubation time. Erionite fibers were fast internalized in the membrane mainly as aggregates with radical-solution drops trapped inside, and were found in the cytosol and at the nucleus. In 24h, first erionite fibers rich in sodium and potassium, and then calcium-rich erionite fibers, induced cell necrosis. The offretite fibers formed rounding electron-dense filaments which transformed in curved filaments, initially perturbing the cell structure and interacting at the external surface more than erionite fibers. Such interactions probably diminished the toxic effect of offretite on cells. Interestingly, the presumed non-toxic scolecite fibers were partially internalized, inducing formation of swollen mitochondria and squared cells. Overall, the toxic effect of the fibrous zeolites was related to fiber morphology, chemical distribution of sites, structural variations and formation of aggregates. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Assessing the RAFT equilibrium constant via model systems: an EPR study.

    Science.gov (United States)

    Meiser, Wibke; Buback, Michael

    2011-09-15

    Reversible addition-fragmentation chain transfer (RAFT) equilibrium constants, K(eq), for the model system cyano-iso-propyl dithiobenzoate (CPDB) - cyano-iso-propyl radical (CIP) have been deduced via electron paramagnetic resonance (EPR) spectroscopy. The CIP species is produced by thermal decomposition of azobis-iso-butyronitrile (AIBN). In solution of toluene at 70 °C, K(eq) has been determined to be (9 ± 1) L · mol(-1). Measurement of K(eq) = k(ad)/k(β) between 60 and 100 °C yields ΔE(a) = (-28 ± 4) kJ · mol(-1) as the difference in the activation energies of k(ad) and k(β). The data measured on the model system are indicative of fast fragmentation of the intermediate radical produced by addition of CIP to CPDB. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Structural characterization, thermoluminescence and EPR studies of Nd{sub 2}O{sub 3}:Co{sup 2+} nanophosphors

    Energy Technology Data Exchange (ETDEWEB)

    Umesh, B. [Department of Humanities, PVP Polytechnic, Dr. AIT Campus, Bangalore 560 056 (India); Department of Physics, Bangalore University, Bangalore 560 056 (India); Eraiah, B., E-mail: eraiah@rediffmail.com [Department of Physics, Bangalore University, Bangalore 560 056 (India); Nagabhushana, H., E-mail: bhushanvlc@gmail.com [Prof. C.N.R. Rao Centre for Advanced Materials, Tumkur University, Tumkur 572 103 (India); Sharma, S.C.; Sunitha, D.V. [Prof. C.N.R. Rao Centre for Advanced Materials, Tumkur University, Tumkur 572 103 (India); Nagabhushana, B.M. [Department of Chemistry, M.S. Ramaiah Institute of Technology, Bangalore 560 054 (India); Rao, J.L. [Department of Physics, Sri Venkateswara University, Tirupati 517 502 (India); Shivakumara, C. [Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012 (India); Chakradhar, R.P.S., E-mail: sreechakra72@yahoo.com [CSIR – National Aerospace Laboratories, Bangalore 560 017 (India)

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ► Nd{sub 2}O{sub 3}:Co{sup 2+} (1–4 mol%) nanophosphors have been prepared at much lower temperatures. ► Phosphors are well characterized by PXRD, SEM, TEM, FTIR, Raman, UV–vis spectroscopy. ► EPR and thermoluminescence properties were also reported. ► TL intensity increases linearly with γ dose suggesting usage in radiation dosimetry. -- Abstract: Nd{sub 2}O{sub 3}:Co{sup 2+} (1–4 mol%) nanophosphors (15–25 nm) have been prepared via low temperature solution combustion method. Scanning electron micrograph (SEM) shows that the product is highly porous in nature. The stokes line in the Raman spectrum at ∼2000 cm{sup −1} is assigned to F{sub g} mode and the anti-stokes lines are assigned to a combination of A{sub g} + E{sub g} modes. With increase of Co{sup 2+} concentration, the intensity of F{sub g} mode decreases, whereas the combination of A{sub g} + F{sub g} modes completely disappears. Electron paramagnetic resonance (EPR) spectrum exhibits two resonance signals with effective g values at g = 2.25 and g = 2.03. Thermoluminescence (TL) response of Nd{sub 2}O{sub 3}:Co{sup 2+} nanopowders with γ dose 0.23–2.05 kGy was studied. The activation energy (E) and frequency factor (s) are estimated using Chen's glow peak shape method and obtained to be in the range 0.45–1.67 eV and 1.8 × 10{sup 4} to 4.0 × 10{sup 12} s{sup −1}, respectively. It is observed that the TL glow peak intensity at 430 K increases linearly with γ dose which is suitable for radiation dosimetry.

  8. EPR study of thermally treated Archean microbial mats analogues and comparison with Archean cherts: towards a possible marker of oxygenic photosynthesis?

    Science.gov (United States)

    Bourbin, M.; Derenne, S.; Westall, F.; Gourier, D.; Gautret, P.; Rouzaud, J.-N.; Robert, F.

    2012-04-01

    The datation of photosynthesis apparition remains an open question nowadays: did oxygenic photosynthesis appear just before the Great Oxidation Event (GOE) of the atmosphere, 2.3 to 2.4 Gyr ago, or does it originate much earlier? It is therefore of uttermost interest to find markers of oxygenic photosynthesis, applicable to samples of archean age. In order to handle this problem, Microcoleus Chtonoplastes cyanobacteria and Chloroflexus-like non-oxygenic photosynthetic bacteria, were studied using Electron Paramagnetic Resonance (EPR) spectroscopy, a high sensitivity technique for the study of organic radicals in mature geological samples (coals, cherts, meteorites...). M. chtonoplastes and Chloroflexus-like bacteria were sampled in mats from the hypersaline lake "La Salada de Chiprana" (Spain), an analogue to an Archean environment, and were submitted to accelerated ageing through cumulative thermal treatments. For thermal treatment temperatures higher than 620° C, a drastic increase in the EPR linewidth of the oxygenic photosynthetic bacteria (M. chtonoplastes) occurred, as compared with the anoxygenic photosynthetic one (Chloroflexus-like). The EPR study of a thermally treated mixture of the two bacteria evidences that this linewidth increase is driven by catalytic reaction at high temperatures on an element selectively fixed by M. chtonoplastes. Based on comparative EDS analyses, Mg is a potential candidate for this catalytic activity but its precise role and the nature of the reaction are still to be determined. The EPR study of organic radicals in chert rocks of ages ranging from 0.42 to 3.5 Gyr, from various localities and that underwent various metamorphisms, revealed a dispersion of the signal width for the most mature samples. This comparative approach between modern bacterial samples and Precambrian cherts leads to propose the EPR linewidth of mature organic matter in cherts as a potential marker of oxygenic photosynthesis. If confirmed, this marker

  9. An EPR study of the intramolecular dynamics in o-semiquinonic nickel complexes with a diphosphorous pincer ligand.

    Science.gov (United States)

    Kozhanov, Konstantin A; Bubnov, Michael P; Cherkasov, Vladimir K; Fukin, Georgy K; Abakumov, Gleb A

    2003-10-21

    Square pyramidal o-semiquinonic nickel complexes with 2,6-bis(diphenylphosphinomethyl)phenyl have a flexible coordination sphere and exist in solution as the mixture of tautomers rapidly, according to EPR time scale, interconverting at room temperature.

  10. Disappearance of Ising nature in Ca3ZnMnO6 studied by high-field ESR.

    Science.gov (United States)

    Ruan, M Y; Ouyang, Z W; Guo, Y M; Cheng, J J; Sun, Y C; Xia, Z C; Rao, G H; Okubo, S; Ohta, H

    2014-06-11

    High-field electron spin resonance measurements of an antiferromagnet Ca3ZnMnO6 isostructure, with the Ising-chain multiferroic Ca3CoMnO6, have been carried out. Two distinct resonance modes were observed below TN = 25 K, which is well explained by conventional antiferromagnetic resonance theory with easy-plane anisotropy. The zero-field spin gap is derived to be about 166 GHz, originating from the easy-plane anisotropy and exchange interaction. Our result suggests that the Dzyaloshinsky-Moriya interaction, which may induce spin canting, is absent. Disappearance of Ising anisotropy in Ca3ZnMnO6 suggests that the Co(4+) ion, as well as the Co-Mn superexchange, plays an important role for the Ising nature in Ca3CoMnO6.

  11. EPR Spectroscopy in Environmental Lichen-Indication

    Science.gov (United States)

    Bondarenko, P. V.; Nguyet, Le Thi Bich; Zhuravleva, S. E.; Trukhan, E. M.

    2017-09-01

    The paramagnetic properties of lichens were investigated using EPR spectroscopy and Xanthoria parietina (L.) Th. Fr. as a case study. It was found that the concentration of paramagnetic centers in lichen thalli increased as the air-pollution level increased. Possible formation mechanisms of the paramagnetic centers in lichens were discussed. The efficiency of using EPR spectroscopy to study lichens as environmental quality indicators was demonstrated.

  12. Biodistribution and Bioimaging Studies of Hybrid Paclitaxel Nanocrystals: Lessons Learned of the EPR Effect and Image-Guided Drug Delivery

    Science.gov (United States)

    Hollis, Christin P.; Weiss, Heidi L.; Leggas, Markos; Evers, B. Mark; Gemeinhart, Richard A.; Li, Tonglei

    2013-01-01

    Paclitaxel (PTX) nanocrystals (200 nm) were produced by crystallization from solution. Antitumor efficacy and toxicity were examined through a survival study in a human HT-29 colon cancer xenograft murine model. The antitumor activity of the nanocrystal treatments was comparable with that by the conventional solubilization formulation (Taxol®), but yielded less toxicity as indicated by the result of survival study. Tritium-labeled PTX nanocrystals were further produced with a near infrared (NIR) fluorescent dye physically integrated in the crystal lattice. Biodistribution and tumor accumulation of the tritium-labeled PTX nanocrystals were determined immediately after intravenous administration and up to 48 hours by scintillation counting. Whole-body optical imaging of animals was concurrently carried out; fluorescent intensities were also measured from excised tumors and major organs of euthanized animals. It was found that drug accumulation in the tumor was less than 1% of 20 mg/kg intravenous dose. Qualitatively correlation was identified between the biodistribution determined by using tritium-labeled particles and that using optical imaging, but quantitative divergence existed. The divergent results suggest possible ways to improve the design of hybrid nanocrystals for cancer therapy and diagnosis. The study also raises questions of the general role of the enhanced permeability and retention (EPR) effect in tumor targeting and the effectiveness of bioimaging, specifically for hybrid nanocrystals, in tracking drug distribution and pharmacokinetics. PMID:23920039

  13. High-frequency EPR study of a new mononuclear manganese(III) complex:. [(terpy)Mn(N3)3] (terpy = 2,2':6',2''-terpyridine).

    Science.gov (United States)

    Limburg, J; Vrettos, J S; Crabtree, R H; Brudvig, G W; de Paula, J C; Hassan, A; Barra, A L; Duboc-Toia, C; Collomb, M N

    2001-03-26

    The isolation and structural characterization of [(terpy)Mn(III)(N3)3], complex 1, is reported (terpy = 2,2':6',2' '-terpyridine). Complex 1, a product of the reaction between the mixed-valence dimer [(terpy)(H2O)Mn(III)(O)2Mn(IV)(OH2)(terpy)](NO3)3 and NaN3, crystallizes in a triclinic system, space group P1, a = 8.480(1) A, b = 8.9007(2) A, c = 12.109(2) A, alpha = 93.79(1) degrees, beta = 103.17(1) degrees, gamma = 103.11(1) degrees, and Z = 2. Complex 1 exhibits a Jahn-Teller distortion of the octahedron characteristic of a six-coordinated high-spin Mn(III). A vibrational spectroscopic study was performed. The nu(asym)(N3) mode of complex 1 appears in the IR as a strong band at 2035 cm(-1) with a less intense feature at 2072 cm(-1), and in the FT-Raman as a strong band at 2071 cm(-1) with a weaker broad band at 2046 cm(-1). The electronic properties of complex 1 were investigated using a high-field and high-frequency EPR study (190-475 GHz). The different spin Hamiltonian parameters have been determined (D = -3.29 (+/-0.01) cm(-1), E = 0.48 (+/-0.01) cm(-1), E '= 0.53 (+/-0.01) cm(-1), g(x) = 2.00 (+/-0.005), g(y) = 1.98 (+/-0.005), g(z) = 2.01 (+/-0.005)). These parameters are in agreement with the geometry of complex 1 observed in the crystal structure, a D < 0 related to the elongated distortion, and a value of E/D close to 0.2 as expected from the highly distorted octahedron. The two values of the E-parameter are explained by the presence of two slightly different structural forms of complex 1 in the crystal lattice. A second hypothesis was explored to explain the experimental data. The calculation for the simulation was done taking into account that the g and D tensors are not collinear due to the low symmetry of complex 1. In that case, the spin Hamiltonian parameters found are D = -3.29 (+/-0.01) cm(-1), E = 0.51 (+/-0.01) cm(-1), g(x) = 2.00 (+/-0.005), g(y) = 1.98 (+/-0.005), and g(z) = 2.01 (+/-0.005).

  14. Interaction of DNA with Simple and Mixed Ligand Copper(II Complexes of 1,10-Phenanthrolines as Studied by DNA-Fiber EPR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Makoto Chikira

    2015-09-01

    Full Text Available The interaction of simple and ternary Cu(II complexes of 1,10-phenanthrolines with DNA has been studied extensively because of their various interesting and important functions such as DNA cleavage activity, cytotoxicity towards cancer cells, and DNA based asymmetric catalysis. Such functions are closely related to the DNA binding modes of the complexes such as intercalation, groove binding, and electrostatic surface binding. A variety of spectroscopic methods have been used to study the DNA binding mode of the Cu(II complexes. Of all these methods, DNA-fiber electron paramagnetic resonance (EPR spectroscopy affords unique information on the DNA binding structures of the complexes. In this review we summarize the results of our DNA-fiber EPR studies on the DNA binding structure of the complexes and discuss them together with the data accumulated by using other measurements.

  15. Interaction of DNA with Simple and Mixed Ligand Copper(II) Complexes of 1,10-Phenanthrolines as Studied by DNA-Fiber EPR Spectroscopy

    Science.gov (United States)

    Chikira, Makoto; Ng, Chew Hee; Palaniandavar, Mallayan

    2015-01-01

    The interaction of simple and ternary Cu(II) complexes of 1,10-phenanthrolines with DNA has been studied extensively because of their various interesting and important functions such as DNA cleavage activity, cytotoxicity towards cancer cells, and DNA based asymmetric catalysis. Such functions are closely related to the DNA binding modes of the complexes such as intercalation, groove binding, and electrostatic surface binding. A variety of spectroscopic methods have been used to study the DNA binding mode of the Cu(II) complexes. Of all these methods, DNA-fiber electron paramagnetic resonance (EPR) spectroscopy affords unique information on the DNA binding structures of the complexes. In this review we summarize the results of our DNA-fiber EPR studies on the DNA binding structure of the complexes and discuss them together with the data accumulated by using other measurements. PMID:26402668

  16. Light-induced EPR study of charge transfer in P3HT/bis-PCBM bulk heterojunctions

    Directory of Open Access Journals (Sweden)

    Victor I. Krinichnyi

    2011-06-01

    Full Text Available Radical pairs, polarons and fullerene anion radicals photoinduced by photons with energy of 1.98 – 2.73 eV in bulk heterojunctions formed by poly(3-hexylthiophene (P3HT with bis(1-[3-(methoxycarbonylpropyl]-1-phenyl-[6.6]C62 (bis-PCBM fullerene derivative have been studied by direct light-induced EPR (LEPR method in a wide temperature range. A part of photoinduced polarons are pinned in trap sites which number and depth are governed by an ordering of the polymer/fullerene system and energy of initiating photons. It was shown that dynamics and recombination of mobile polarons and counter fullerene anion radicals are governed by their exchange- and multi-trap assisted diffusion. Relaxation and dynamics parameters of both the charge carriers were determined separately by the steady-state saturation method. These parameters are governed by structure and conformation of the carriers’ microenvironment as well as by the energy of irradiating photons. Longitudinal diffusion of polarons was shown to depend on lattice phonons of crystalline domains embedded into an amorphous polymer matrix. The energy barrier required for polaron interchain hopping is higher than that its intrachain diffusion. Pseudorotation of fullerene derivatives in a polymer matrix was shown to follow the activation Pike model.

  17. Slow Relaxation of Magnetization in an Isostructural Series of Zinc-Lanthanide Complexes: An Integrated EPR and AC Susceptibility Study.

    Science.gov (United States)

    Amjad, Asma; Madalan, Augustin M; Andruh, Marius; Caneschi, Andrea; Sorace, Lorenzo

    2016-08-26

    We report the synthesis, structure, and spectroscopic and dynamic magnetic properties of a series of heterodinuclear complexes, [ZnLn(LH4 )2 ](NO3 )3 ⋅6 H2 O (Ln=Nd, Tb, Dy, Ho, Er, and Yb), with the singly deprotonated form of a new compartmentalized Schiff-base ligand, LH5 . The Ln(III) ions in these systems show a distorted square-antiprism geometry with an LnO8 coordination sphere. EPR spectroscopy and DC magnetic studies have shown that the anisotropic nature of the complexes is far more complicated than predicted on the basis of a simple electrostatic model. Among the investigated systems, only the Dy(III) derivative showed single-ion magnet behavior, in zero and an applied magnetic field, both in pure polycrystalline samples and in a series of polycrystalline samples with different degrees of dilution at the single-crystal level in the isostructural Y(III) derivative. The rich dynamics observed as functions of frequency, field, and temperature reveals that multiple relaxation mechanisms are at play, resulting in a barrier of 189 cm(-1) , which is among the highest reported for a dinuclear Zn-Dy system. Analysis of the dynamic behavior as a function of dilution degree further evidenced the persistence of non-negligible intermolecular interactions, even at the lowest concentration of 1 %. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. An EPR spin-probe and spin-trap study of the free radicals produced by plant plasma membranes

    Directory of Open Access Journals (Sweden)

    GORAN BACIC

    2005-02-01

    Full Text Available Plant plasma membranes are known to produce superoxide radicals, while the production of hydroxyl radical is thought to occur only in the cell wall. In this work it was demonstrated using combined spin-trap and spin-probe EPR spectroscopic techniques, that plant plasma membranes do produce superoxide and hydroxyl radicals but by kinetically different mechanisms. The results show that superoxide and hydroxyl radicals can be detected by DMPO spin-trap and that the mechanisms and location of their production can be differentiated using the reduction of spin-probes Tempone and 7-DS. It was shown that the mechanism of production of oxygen reactive species is NADH dependent and diphenylene iodonium inhibited. The kinetics of the reduction of Tempone, combined with scavengers or the absence of NADH indicates that hydroxyl radicals are produced by a mechanism independent of that of superoxide production. It was shown that a combination of the spin-probe and spin-trap technique can be used in free radical studies of biological systems, with a number of advantages inherent to them.

  19. Theoretical studies of the optical and EPR spectra for VO^{2+} in Na_3C_6H_5O_7·2H_2O single crystal

    Directory of Open Access Journals (Sweden)

    Ch.-Y. Li

    2015-06-01

    Full Text Available On the basis of the perturbation formulas for a d^1 configuration ion in a tetragonal crystal field, the three optical absorption bands and electron paramagnetic resonance (EPR parameters (g factors g_i and hyperfine structure constants A_i for i = || and ⊥, respectively of VO^{2+} in Na_3C_6H_5O_7·2H_2O (TSCD single crystals were studied using the perturbation theory method. By simulating the calculated optical and EPR spectra to the observed values, local structure parameters and negative signs of the hyperfine structure constants A_i of the octahedral (VO_6^{8-} cluster in TSCD single crystal can be obtained.

  20. Multi-frequency EPR studies of a mononuclear holmium single-molecule magnet based on the polyoxometalate [Ho(III)(W5O18)2]9-.

    Science.gov (United States)

    Ghosh, Sanhita; Datta, Saiti; Friend, Lisa; Cardona-Serra, Salvador; Gaita-Ariño, Alejandro; Coronado, Eugenio; Hill, Stephen

    2012-11-28

    Continuous-wave, multi-frequency electron paramagnetic resonance (EPR) studies are reported for a series of single-crystal and powder samples containing different dilutions of a recently discovered mononuclear Ho(III) (4f(10)) single-molecule magnet (SMM) encapsulated in a highly symmetric polyoxometalate (POM) cage. The encapsulation offers the potential for applications in molecular spintronics devices, as it preserves the intrinsic properties of the nanomagnet outside of the crystal. A significant magnetic anisotropy arises due to a splitting of the Hund's coupled total angular momentum (J = L + S = 8) ground state in the POM ligand field. Thus, high-frequency (50.4 GHz) EPR studies reveal a highly anisotropic eight line spectrum corresponding to transitions within the lowest m(J) = ±4 doublet, split by a strong hyperfine interaction with the I = 7/2 Ho nucleus (100% natural abundance). X-band EPR studies reveal the presence of an appreciable tunneling gap between the m(J) = ±4 doublet states having the same nuclear spin projection, leading to a highly non-linear field-dependence of the spectrum at low-frequencies.

  1. Biomolecular EPR spectroscopy

    CERN Document Server

    Hagen, Wilfred Raymond

    2008-01-01

    Comprehensive, Up-to-Date Coverage of Spectroscopy Theory and its Applications to Biological SystemsAlthough a multitude of books have been published about spectroscopy, most of them only occasionally refer to biological systems and the specific problems of biomolecular EPR (bioEPR). Biomolecular EPR Spectroscopy provides a practical introduction to bioEPR and demonstrates how this remarkable tool allows researchers to delve into the structural, functional, and analytical analysis of paramagnetic molecules found in the biochemistry of all species on the planet. A Must-Have Reference in an Intrinsically Multidisciplinary FieldThis authoritative reference seamlessly covers all important bioEPR applications, including low-spin and high-spin metalloproteins, spin traps and spin lables, interaction between active sites, and redox systems. It is loaded with practical tricks as well as do's and don'ts that are based on the author's 30 years of experience in the field. The book also comes with an unprecedented set of...

  2. Recent pulsed EPR studies of the photosystem II oxygen-evolving complex: implications as to water oxidation mechanisms.

    Science.gov (United States)

    Britt, R David; Campbell, Kristy A; Peloquin, Jeffrey M; Gilchrist, M Lane; Aznar, Constantino P; Dicus, Michelle M; Robblee, John; Messinger, Johannes

    2004-04-12

    The pulsed electron paramagnetic resonance (EPR) methods of electron spin echo envelope modulation (ESEEM) and electron spin echo-electron nuclear double resonance (ESE-ENDOR) are used to investigate the structure of the Photosystem II oxygen-evolving complex (OEC), including the paramagnetic manganese cluster and its immediate surroundings. Recent unpublished results from the pulsed EPR laboratory at UC-Davis are discussed, along with aspects of recent publications, with a focus on substrate and cofactor interactions. New data on the proximity of exchangeable deuterons around the Mn cluster poised in the S(0)-state are presented and interpreted. These pulsed EPR results are used in an evaluation of several recently proposed mechanisms for PSII water oxidation. We strongly favor mechanistic models where the substrate waters bind within the OEC early in the S-state cycle. Models in which the O-O bond is formed by a nucleophilic attack by a Ca(2+)-bound water on a strong S(4)-state electrophile provide a good match to the pulsed EPR data.

  3. Electronic Structure of ZnO Quantum Dots studied by High-frequency EPR, ESE, ENDOR and ODMR Spectroscopy

    NARCIS (Netherlands)

    Baranov, P.G.; Romanov, N.G.; Bundakova, A.P.; de Mello-Donega, Celso; Schmidt, J.

    2016-01-01

    High-frequency electron paramagnetic resonance (EPR), electron spin echo (ESE), electron-nuclear double resonance (ENDOR) and optically detected magnetic resonance (ODMR) were applied for the investigation of the electronic properties of ZnO colloidal quantum dots (QDs) which consist of a ZnO

  4. STRUCTURAL AND DYNAMIC PROPERTIES OF SOLID-SOLUTIONS OF BAF2 AND GDF3 - AN EPR STUDY

    NARCIS (Netherlands)

    DENHARTOG, HW

    Results of EPR experiments on solid solutions of barium and gadolinium fluoride in the temperature range 300 to 900 K are presented. At room temperature the Gd-ions are located predominantly at trigonal sites. If the temperature is increased, the interstitial fluoride ions are found to dissociate

  5. EPR study of free radicals in non- and gamma-irradiated nutritive supplements containing anthocyanins concentrate from lyophilized red wine

    Science.gov (United States)

    Mladenova, Ralitsa B.; Firzov, Cyril; Yordanov, Nicola D.

    2010-09-01

    Nutritive supplements Enoviton, Enoviton C and Enoviton CE containing standardized anthocyanins from lyophilized red wine, vitamins (some of them) and excipients were investigated by EPR spectrometry before and after gamma-irradiation. Non-irradiated samples exhibit one singlet line with g=2.0039±0.0002, most probably due to free radicals from anthocyanins. After irradiation with 10 kGy gamma-rays, tablets of Еnoviton, Еnoviton С and Еnoviton СЕ, all exhibit complex EPR signals centered at a g-value of g=2.0034. The EPR spectrum of irradiated Enoviton is different from that of Еnoviton С or Еnoviton СЕ due to the overlap of the spectra of microcrystalline cellulose and the background singlet spectrum present in all tablets with the EPR resonance due to irradiated ascorbic acid (in Еnoviton С and Еnoviton СЕ). Gamma-induced free radicals exhibit long time stability—for a six months period the intensity of central peak decrease with 30-40%.

  6. EPR study of free radicals in non- and gamma-irradiated nutritive supplements containing anthocyanins concentrate from lyophilized red wine

    Energy Technology Data Exchange (ETDEWEB)

    Mladenova, Ralitsa B., E-mail: ralitsa@ic.bas.b [Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Firzov, Cyril [Institute of Cryobiology and Food Technology, 1162 Sofia (Bulgaria); Yordanov, Nicola D. [Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)

    2010-09-15

    Nutritive supplements Enoviton, Enoviton C and Enoviton CE containing standardized anthocyanins from lyophilized red wine, vitamins (some of them) and excipients were investigated by EPR spectrometry before and after gamma-irradiation. Non-irradiated samples exhibit one singlet line with g=2.0039{+-}0.0002, most probably due to free radicals from anthocyanins. After irradiation with 10 kGy gamma-rays, tablets of Enoviton, Enoviton S and Enoviton SE, all exhibit complex EPR signals centered at a g-value of g=2.0034. The EPR spectrum of irradiated Enoviton is different from that of Enoviton S or Enoviton SE due to the overlap of the spectra of microcrystalline cellulose and the background singlet spectrum present in all tablets with the EPR resonance due to irradiated ascorbic acid (in Enoviton S and Enoviton SE). Gamma-induced free radicals exhibit long time stability-for a six months period the intensity of central peak decrease with 30-40%.

  7. Vesicle to micelle transition in the ternary mixture of L121/SDS/D2O: NMR, EPR and SANS studies.

    Science.gov (United States)

    Prameela, G K S; Phani Kumar, B V N; Reddy, R Ravikanth; Pan, A; Subramanian, J; Kumar, Sugam; Aswal, V K; Kohlbrecher, Joachim; Mandal, A B; Moulik, S P

    2017-12-06

    Subtle changes in the microstructure and dynamics of the triblock copolymer L121, (ethylene oxide) 5 (propylene oxide) 68 (ethylene oxide) 5 i.e., E 5 P 68 E 5 , and sodium dodecylsulfate (SDS) system in aqueous medium were investigated using high-resolution nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR) and small-angle neutron scattering (SANS) methods. NMR self-diffusion measurements helped us to understand the nature of binding of SDS with L121, and the formation of their mixed aggregates. These results showed that even at low [SDS] (∼2 mM), the addition of L121 stabilized the dynamics of SDS. Furthermore, the increase in [SDS] resulted in progressive changes in the diffusion behavior of both SDS and L121. 13 C chemical shift analysis revealed that preferential binding of L121 occurred on the SDS micelle surface. Deuterium ( 2 H) NMR spin-relaxation data evidenced that the formed mixed aggregates were non-spherical in terms of relaxation rate changes, and slowed the dynamics. The rotational correlation times of mixed aggregates were estimated from EPR analysis. A SANS study indicated the presence of uni- and multi-lamellar vesicles of L121 at low [SDS]. The vesicles transformed to mixed L121-SDS micelles in the presence of a higher [SDS]. This was supported by the measurements of 2 H NMR spin-relaxation and EPR rotational correlation times.

  8. Dual-mode EPR study of Mn(III) salen and the Mn(III) salen-catalyzed epoxidation of cis-beta-methylstyrene.

    Science.gov (United States)

    Campbell, K A; Lashley, M R; Wyatt, J K; Nantz, M H; Britt, R D

    2001-06-20

    Dual-mode electron paramagnetic resonance (EPR), in which an oscillating magnetic field is alternately applied parallel or perpendicular to the static magnetic field, is a valuable technique for studying both half-integer and integer electron spin systems and is particularly useful for studying transition metals involved in redox chemistry. We have applied this technique to the characterization of the Mn(III) salen (salen = N,N'-ethylene bis(salicylideneaminato)) complex [(R,R)-(-)-N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III)], with an S = 2 integer electron spin system. Furthermore, we have used dual-mode EPR to study the Mn salen complex during the Mn(III) salen-catalyzed epoxidation of cis-beta-methylstyrene. Our study shows that the additives N-methylmorpholine N-oxide (NMO) and 4-phenylpyridine-N-oxide (4-PPNO), which are used to improve epoxidation yields and enantioselection, bind to the Mn(III) center prior to the epoxidation reaction, as evidenced by the alteration of the Mn(III) parallel mode EPR signal. With these additives as ligands, the axial zero-field splitting values and (55)Mn hyperfine splitting of the parallel mode signal are indicative of an axially elongated octahedral geometry about the Mn(III) center. Since the dual-mode EPR technique allows the observation of both integer and half-integer electron spin systems, Mn oxidation states of II, III, IV, and potentially V can be observed in the same sample as well as any radical intermediates or Mn(III,IV) dinuclear clusters formed during the Mn(III) salen-catalyzed epoxidation reaction. Indeed, our study revealed the formation of a Mn(III,IV) dinuclear cluster in direct correlation with expoxide formation. In addition to showing the possible reaction intermediates, dual-mode EPR offers insight into the mechanism of catalyst degradation and formation of unwanted byproducts. The dual-mode technique may therefore prove valuable for elucidating the mechanism of Mn

  9. Clinical Electron Paramagnetic Resonance (EPR) Oximetry using India Ink

    OpenAIRE

    Williams, Benjamin B.; Khan, Nadeem; Zaki, Bassem; Hartford, Alan; Ernstoff, Marc S.; Swartz, Harold M.

    2010-01-01

    Electron paramagnetic resonance (EPR) oximetry can be used to provide direct absolute measurements of pO2 in living tissue using India ink as an O2 reporter. In vivo measurements are made using low frequency (1.2GHz) EPR spectroscopy and surface loop resonators, which enable measurements to be made at superficial sites through a non-invasive (after placing the ink in the tissues) and repeatable measurement procedure. Ongoing EPR oximetry studies in human subjects include measurement of subcut...

  10. Comparative 5-doxylstearoyllecithin and 3-doxylcholestane EPR spin labeling study of phospholipid bilayer perturbation by different oxidized lecithin species.

    Science.gov (United States)

    Megli, Francesco M; Conte, Elena; Russo, Luciana

    2010-10-01

    A 3-doxylcholestane spin label was employed in addition to 5-doxylstearoyl lecithin for a more detailed study of the different effects exerted by variously oxidized lecithins on fatty acid alignment in phospholipid planar bilayers. Either spin label was enclosed in oriented PLPC planar samples also containing in turn a variety of conjugated-dienes lecithins and cleaved chain lecithins, in order to monitor EPR spectral angular dependence loss. Data obtained by use of arachidonoyl-hydroxystearoyl-PC and palmitoyl-hydroxylinoleoyl-PC confirm that the 5-DSPC nitroxide ring almost completely retains its orientation in CD-PCs-containing planar membranes, in contrast with angular dependence loss observed in the presence of the CC-PC molecular species palmitoyl-oxononanoyl-PC and palmitoyl-oxovaleroyl-PC, already seen with cleaved-chain palmitoyl-glutaroyl-PC and palmitoyl-azelaoyl-PC. However, the 3-DC nitroxide ring also loses its orientation with CD-PCs, in addition to being disoriented by cleaved chain-lecithins, similarly to 5DSPC. Joint information from the two spin labels will help to clarify whether OXPC-related disordering involved the whole bilayer structure or only the hydrophobic core. In addition, the propensity of different OXPCs to form bilayer vesicles in water suspension was also determined by Sepharose 4B gel-chromatography. The results suggest that CD-PCs might yield SPB bilayer structures with a disordered hydrophobic core, while pure CC-PC more probably forms non-bilayer disordered structures, possibly micelles or mixed micelle/bilayers. Copyright © 2010 Elsevier B.V. All rights reserved.

  11. Highly-Efficient Charge Separation and Polaron Delocalization in Polymer-Fullerene Bulk-Heterojunctions: A Comparative Multi-Frequency EPR & DFT Study

    Science.gov (United States)

    Niklas, Jens; Mardis, Kristy L.; Banks, Brian P.; Grooms, Gregory M.; Sperlich, Andreas; Dyakonov, Vladimir; Beaupré, Serge; Leclerc, Mario; Xu, Tao; Yu, Luping; Poluektov, Oleg G.

    2016-01-01

    The ongoing depletion of fossil fuels has led to an intensive search for additional renewable energy sources. Solar-based technologies could provide sufficient energy to satisfy the global economic demands in the near future. Photovoltaic (PV) cells are the most promising man-made devices for direct solar energy utilization. Understanding the charge separation and charge transport in PV materials at a molecular level is crucial for improving the efficiency of the solar cells. Here, we use light-induced EPR spectroscopy combined with DFT calculations to study the electronic structure of charge separated states in blends of polymers (P3HT, PCDTBT, and PTB7) and fullerene derivatives (C60-PCBM and C70-PCBM). Solar cells made with the same composites as active layers show power conversion efficiencies of 3.3% (P3HT), 6.1% (PCDTBT), and 7.3% (PTB7), respectively. Under illumination of these composites, two paramagnetic species are formed due to photo-induced electron transfer between the conjugated polymer and the fullerene. They are the positive, P+, and negative, P-, polarons on the polymer backbone and fullerene cage, respectively, and correspond to radical cations and radical anions. Using the high spectral resolution of high-frequency EPR (130 GHz), the EPR spectra of these species were resolved and principal components of the g-tensors were assigned. Light-induced pulsed ENDOR spectroscopy allowed the determination of 1H hyperfine coupling constants of photogenerated positive and negative polarons. The experimental results obtained for the different polymer-fullerene composites have been compared with DFT calculations, revealing that in all three systems the positive polaron is distributed over distances of 40 - 60 Å on the polymer chain. This corresponds to about 15 thiophene units for P3HT, approximately three units PCDTBT, and about three to four units for PTB7. No spin density delocalization between neighboring fullerene molecules was detected by EPR. Strong

  12. EPR and 55Mn cw-ENDOR study of an antiferrogmagnetically coupled dinuclear manganese (Mn III Mn IV) complex

    Science.gov (United States)

    Zweygart, W.; Bittl, R.; Wieghardt, K.; Lubitz, W.

    1996-10-01

    X- and Q-band EPR and 55Mn cw-ENDOR experiments are reported on a binuclear oxo-bridged dimanganese Mn III Mn IV complex. Consistent simulations of spectra from both frequency bands using one parameter set for the orthorhombic g tensor and Mn III and Mn IV hyperfine tensors are achieved. Information on the manganese hyperfine couplings is independently obtained from 55Mn cw-ENDOR spectroscopy performed on both ions.

  13. Ground state of Er sup 3+ ions in ErNi sub 5 as studied by high field magnetization

    Energy Technology Data Exchange (ETDEWEB)

    Radwanski, R.J.; Franse, J.J.M.; Kayzel, F.E.; Marquina, C. (Van der Waals-Zeeman Lab., Univ. Amsterdam (Netherlands)); Gignoux, D. (Lab. Louis Neel, CNRS, 38 - Grenoble (France)); Szewczyk, A. (Inst. of Physics of Polish Academy of Sciences, Warszaw (Poland))

    1992-03-01

    By magnetization studies of single crystalline ErNi{sub 5} in magnetic fields up to 35 T, the crystal field and exchange interactions have been evaluated. The ground state of the Er{sup 3+} ion is found to be a {Gamma}{sub 9} doublet with a dominant vertical stroke{+-}15/2> contribution. The derived parameters describe the inelastic neutron scattering and specific heat results available in the literature very well. (orig.).

  14. Locations of radical species in black pepper seeds investigated by CW EPR and 9 GHz EPR imaging

    Science.gov (United States)

    Nakagawa, Kouichi; Epel, Boris

    2014-10-01

    In this study, noninvasive 9 GHz electron paramagnetic resonance (EPR)-imaging and continuous wave (CW) EPR were used to investigate the locations of paramagnetic species in black pepper seeds without further irradiation. First, lithium phthalocyanine (LiPC) phantom was used to examine 9 GHz EPR imaging capabilities. The 9 GHz EPR-imager easily resolved the LiPC samples at a distance of ∼2 mm. Then, commercially available black pepper seeds were measured. We observed signatures from three different radical species, which were assigned to stable organic radicals, Fe3+, and Mn2+ complexes. In addition, no EPR spectral change in the seed was observed after it was submerged in distilled H2O for 1 h. The EPR and spectral-spatial EPR imaging results suggested that the three paramagnetic species were mostly located at the seed surface. Fewer radicals were found inside the seed. We demonstrated that the CW EPR and 9 GHz EPR imaging were useful for the determination of the spatial distribution of paramagnetic species in various seeds.

  15. Age dependency of myocardial triglyceride content. A 3T high-field {sup 1}H-MR spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Petritsch, B.; Gassenmaier, T.; Kunz, A.S.; Donhauser, J.; Bley, T.A.; Horn, M. [University Hospital of Wuerzburg (Germany). Inst. of Diagnostic and Interventional Radiology; Goltz, J.P. [University Hospital of Schleswig-Holstein, Campus Luebeck (Germany). Clinic for Radiology and Nuclear Medicine

    2015-11-15

    The role of myocardial triglyceride (mTG) content in the aging human heart is not entirely understood. The aim of this study was to measure concentrations of mTG content from healthy volunteers and to determine the association between age, mTG content and systolic heart function. Furthermore, the technical stability of the {sup 1}H-magnetic resonance spectroscopy ({sup 1}H-MRS) and the reliability of peak evaluation at 3 T were evaluated. The total study population of 47 healthy volunteers was divided into 4 age classes, according to the age of the subjects (1{sup st} cohort 20-29 years (yrs.), n=20; 2{sup nd} cohort 30-39 yrs., n=10; 3{sup rd} cohort 40-49 yrs., n=9; 4{sup th} cohort 50-60 yrs., n=8). Cardiac MRI and double triggered {sup 1}H-MRS of the myocardium were consecutively performed using a 3 T scanner. Each participant underwent spectroscopic measurements twice in the same investigation. mTG content increases with age. The correlation of age and mTG is minimal (r=0.48; p<0.001). The following age-averaged mTG content values expressed as % of mTG signal compared to the water signal were determined for each cohort: 1{sup st} cohort 0.25 % (± 0.17); 2{sup nd} cohort 0.48 % (± 0.30); 3{sup rd} cohort 0.48 % (± 0.18); 4{sup th} cohort 0.77 % (± 0.70). There was no significant correlation (r=0.04; p=n.s.) between LV mass and mTG content in healthy volunteers. Within our cohorts, no effects of age or mTG content on systolic heart function were seen (r=-0.01; p=n.s.). The intraclass correlation coefficient of spectroscopic measurements was high (r=0.965; p<0.001). Myocardial TG content increases with age. The normal age-dependent concentration ranges of myocardial lipid metabolites reported in this study may be helpful for the correction of acquired {sup 1}H-MRS data in patients when evaluating metabolic and cardiovascular diseases in future magnetic resonance spectroscopy studies.

  16. Single crystal EPR study of VO(II)-doped cadmium potassium ...

    Indian Academy of Sciences (India)

    symmetry of the central metal ion and the nature of the bonding with the ligands and this has also been used as an impurity for understanding the defect, structural, phase transition and orientation properties of the host lattice 1–5. Studies of VO(II) in glasses and other systems have attracted attention very recently6–8.

  17. Spin Probe Multi-Frequency EPR Study of Unprocessed Cotton Fibers.

    Science.gov (United States)

    Marek, Antonin; Voinov, Maxim A; Smirnov, Alex I

    2017-06-01

    Known since the ancient times, cotton continues to be one of the essential materials for the human civilization. Cotton fibers are almost pure cellulose and contain both crystalline and amorphous nanodomains with different physicochemical properties. While understanding of interactions between the individual cellulose chains within the crystalline phase is important from a perspective of mechanical properties, studies of the amorphous phase lead to characterization of the essential transport parameters, such as solvent diffusion, dyeing, drug release, and toxin absorption, as well as more complex processes of enzymatic degradation. Here, we describe the use of spin probe electron paramagnetic resonance methods to study local polarity and heterogeneous viscosity of two types of unprocessed cotton fibers, G. hirsutum and G. barbadense, harvested in the State of North Carolina, USA. These fibers were loaded with two small molecule nitroxide probes that differ in polarity-Tempo and its more hydrophilic derivative Tempol-using a series of polar and non-polar solvents. The electron paramagnetic resonance spectra of the nitroxide-loaded cotton fibers were analyzed both semi-empirically and by least-squares simulations using a rigorous stochastic theory of electron paramagnetic resonance spectra developed by Freed and coworkers. A software package and least-squares fitting protocols were developed to carry out automatic simulations of multi-component electron paramagnetic resonance spectra in both first-derivative and the absorption forms at multiple resonance frequencies such as X-band (9.5 GHz) and W-band (94.3 GHz). The results are compared with the preceding electron paramagnetic resonance spin probe studies of a commercial bleached cotton sheeting carried out by Batchelor and coworkers. One of the results of this study is a demonstration of a co-existence of cellulose nanodomains with different physicochemical properties such as polarity and microviscosity that

  18. Aragonite→calcite transformation studied by EPR of Mn 2+ ions

    Science.gov (United States)

    Lech, J.; Śl|zak, A.

    1989-05-01

    The irreversible transformation aragonite→calcite has been studied both at different fixed heating rates (5, 10, 15 and 20 K/min) and at different fixed temperatures. Apparent progression rates of the transformation were observed above 685 K. At 730 K the transformation became sudden and violent. Time developments of the transformation at fixed temperatures have been discussed in terms of Avrami-Lichti's approach to transitions involving nucleation processes.

  19. Extended defects in vanadium doped rutile. An EPR and TEM study

    Energy Technology Data Exchange (ETDEWEB)

    Otero-Diaz, L.C.; Soria, J.; Alario-Franco, M.A. (Madrid Univ. (Spain))

    1984-04-16

    Electron microscopy and diffraction coupled with electron paramagnetic resonance are used to study the system TiO/sub 2/-V/sub 2/O/sub 3/ on samples prepared at 1373 K. Substitutional and/or interstitial V/sup 4 +/ ions are detected at low concentrations of V/sub 2/O/sub 3/ together with isolated extended defects. At higher vanadium concentrations (>= 5 wt% V/sub 2/O/sub 3/) the extended defects order giving rise to a homologous occur between the paramagnetic vanadium ions which would appear to be close to the crystallographic shear planes.

  20. EPR and NMR spectroscopy on spin-labeled proteins

    NARCIS (Netherlands)

    Finiguerra, Michelina Giuseppina

    2011-01-01

    Spin labeling and electron paramagnetic resonance (EPR) have been employed to study structure and dynamics of proteins. The surface polarity of four single cysteine mutants of the Zn-azurin in frozen solution were studied using 275 GHz EPR (J-band), with the advantage compared to 9 GHz (X-band) and

  1. A comparative study of the effect of cholesterol on bicelle model membranes using X-band and Q-band EPR spectroscopy.

    Science.gov (United States)

    Ghimire, Harishchandra; Inbaraj, Johnson J; Lorigan, Gary A

    2009-08-01

    X-band and Q-band electron paramagnetic resonance (EPR) spectroscopic techniques were used to investigate the structure and dynamics of cholesterol containing phospholipid bicelles based upon molecular order parameters (S(mol)), orientational dependent hyperfine splittings and line shape analysis of the corresponding EPR spectra. The nitroxide spin-label 3-beta-doxyl-5-alpha-cholestane (cholestane) was incorporated into DMPC/DHPC bicelles to report the alignment of bicelles in the static magnetic field. The influence of cholesterol on aligned phospholipid bicelles in terms of ordering, the ease of alignment, phase transition temperature have been studied comparatively at X-band and Q-band. At a magnetic field of 1.25 T (Q-band), bicelles with 20 mol% cholesterol aligned at a much lower temperature (313 K), when compared to 318 K at a 0.35 T field strength for X-band, showed better hyperfine splitting values (18.29 G at X-band vs. 18.55 G at Q-band for perpendicular alignment and 8.25 G at X-band vs. 7.83 G at Q-band for the parallel alignment at 318 K) and have greater molecular order parameters (0.76 at X-band vs. 0.86 at Q-band at 318 K). Increasing cholesterol content increased the bicelle ordering, the bicelle-alignment temperature and the gel to liquid crystalline phase transition temperature. We observed that Q-band is more effective than X-band for studying aligned bicelles, because it yielded a higher ordered bicelle system for EPR spectroscopic studies.

  2. EPR and ligand field studies of iron superoxide dismutases and iron-substituted manganese superoxide dismutases: relationships between electronic structure of the active site and activity.

    Science.gov (United States)

    Renault, J P; Verchère-Béaur, C; Morgenstern-Badarau, I; Yamakura, F; Gerloch, M

    2000-06-12

    The problem of metal selectivity of iron/manganese superoxide dismutases (SODs) is addressed through the electronic structures of active sites using electron paramagnetic resonance and ligand field calculations. Studies of wild-type iron(III) SOD (FeSOD) from Escherichia coli and from Methanobacterium thermoautotrophicum and iron-substituted manganese(III) SOD (Fe(sub)MnSOD) from E. coli and from Serratia marcescens are reported. EPR spectroscopy of wild-type enzymes shows transitions within all three Kramers doublets identified by their g values. From the temperature dependence of the observed transitions, the zero-field splitting is found to be negative, D = -2 +/- 0.2 cm-1. The electronic structure is typical of a distorted trigonal bipyramid, all the EPR features being reproduced by ligand field analysis. This unique and necessary electronic structure characterizes wild-type enzymes whatever their classification from the amino acid sequence into iron or manganese types, as E. coli FeSOD or M. thermoautotrophicum FeSOD. In iron-substituted manganese SODs, reduced catalytic activity is found. We describe how inhomogeneity of all reported substituted MnSODs might explain the activity decrease. EPR spectra of substituted enzymes show several overlapping components. From simulation of these spectra, one component is identified which shares the same electronic structure of the wild-type FeSODs, with the proportion depending on pH. Ligand field calculations were performed to investigate distortions of the active site geometry which induce variation of the excitation energy of the lowest quartet state. The corresponding coupling between the ground state and the excited state is found to be maximum in the geometry of the native SODs. We conjecture that such coupling should be considered in the electron-transfer process and in the contribution of the typical electronic structure of FeSOD to the activity.

  3. Redox intermediates of the Mn-Fe Site in subunit R2 of Chlamydia trachomatis ribonucleotide reductase: an X-ray absorption and EPR study.

    Science.gov (United States)

    Voevodskaya, Nina; Lendzian, Friedhelm; Sanganas, Oliver; Grundmeier, Alexander; Gräslund, Astrid; Haumann, Michael

    2009-02-13

    The R2 protein of class I ribonucleotide reductase (RNR) from Chlamydia trachomatis (Ct) can contain a Mn-Fe instead of the standard Fe-Fe cofactor. Ct R2 has a redox-inert phenylalanine replacing the radical-forming tyrosine of classic RNRs, which implies a different mechanism of O(2) activation. We studied the Mn-Fe site by x-ray absorption spectroscopy (XAS) and EPR. Reduced R2 in the R1R2 complex (R2(red)) showed an isotropic six-line EPR signal at g approximately 2 of the Mn(II)Fe(II) state. In oxidized R2 (R2(ox)), the Mn(III)Fe(III) state exhibited EPR g values of 2.013, 2.009, and 2.015. By XAS, Mn-Fe distances and oxidation states of intermediates were determined and assigned as follows: approximately 4.15 A, Mn(II)Fe(II); approximately 3.25 A, Mn(III)Fe(II); approximately 2.90 A, Mn(III)Fe(III); and approximately 2.75 A, Mn(IV)Fe(III). Shortening of the Mn/Fe-ligand bond lengths indicated formation of additional metal bridges, i.e. microO(H) and/or peroxidic species, upon O(2) activation at the site. The structural parameters suggest overall configurations of the Mn-Fe site similar to those of homo-metallic sites in other R2 proteins. However, the approximately 2.90 A and approximately 2.75 A Mn-Fe distances, typical for di-microO(H) metal bridging, are shorter than inter-metal distances in any R2 crystal structure. In diffraction data collection, such bridges may be lost due to rapid x-ray photoreduction of high-valent metal ions, as demonstrated here for Fe(III) by XAS.

  4. Butanolic fraction of Moringa oleifera Lam. (Moringaceae) attenuates isoprotrenol-induced cardiac necrosis and oxidative stress in rats: an EPR study.

    Science.gov (United States)

    Panda, Sunanda

    2015-01-01

    The preventive effect of Moringa oleifera polyphenolic fraction (MOPF) on cardiac damage was evaluated in isoproterenol (ISO) induced cardiotoxicity model of Wistar rats. Male rats in different groups were treated with MOPF orally at the dose of 50, 100 and 150 mg/kg/day for 28 days and were subsequently administered (s.c.) with ISO (85 mg/kg body weight) for the last two days. At the end of the experiment levels of serum troponin-T, creatine kinase-MB, lactate dehydrogenase, content of malondialdehyde (MDA), activities/levels of different cellular antioxidants were estimated in control and experimental groups. Additionally, scavenging potential to the hydroxyl radical of the fraction was measured by electron paramagnetic resonance (EPR). ISO administered rats showed significant increase in the levels of serum troponin-I, creatine kinase, lactate dehydrogenase, and heart tissue MDA content. Furthermore, marked reduction in the activities of antioxidants such as superoxide dismutase, catalase, glutathione peroxidase and reduced glutathione levels were observed. EPR study showed an increase in signal intensity in ISO-induced rats. Triphenyl tetrazolium chloride (TTC) staining of heart section revealed a marked increase in infarcted area in ISO-induced rats. Histological features of the heart also indicated a disruption in the structure of cardiac myofibrils in these animals. MOPF (100 mg/kg body weight) pretreatment prevented all these adverse effects of ISO. Present results show that the rich polyphenolic content of Moringa oleifera significantly reduced the myocardial damage and decreased the oxidative stress, possibly through hydroxyl radical scavenging activity as evidenced from the EPR spectra.

  5. Substitutional and surface Mn2+ centers in cubic ZnS:Mn nanocrystals. A correlated EPR and photoluminescence study

    Science.gov (United States)

    Stefan, M.; Nistor, S. V.; Ghica, D.; Mateescu, C. D.; Nikl, M.; Kucerkova, R.

    2011-01-01

    The EPR, radioluminescence, and photoluminescence of cubic ZnS (cZnS) nanocrystals (NCs) with a narrow size distribution centered at 2 nm, doped with 0.1, 0.2, and 0.5at.% Mn2+ ions were investigated. Besides the main lines from substitutional Mn2+ ions localized in the core of the NCs next to a stacking defect, the EPR spectra exhibited two broader hyperfine sextets, attributed to the so-called Mn(II) and Mn(III) surface centers, which could be separated by adequate thermal treatments. The contribution to the photoluminescence from the Mn2+ ions at various sites was further determined from the analysis of the steady-state and time-resolved photoluminescence data from cZnS:Mn NCs subjected to thermal treatments and from cZnS:Mn single crystals. Thus, the main emission consisting of two intense overlapping bands peaking at 596 and 630 nm was attributed to the 4T1-6A1 transition of the substitutional Mn2+ ions in the core of the cZnS nanocrystals and to residual aggregated Mn2+ ions, respectively, the last ones being responsible for a broad EPR line observed in the X-band spectrum. The Mn(II) and Mn(III) centers, consisting of Mn2+ ions in the oxidized and hydrolyzed surface layer of the NCs, respectively, are only indirectly involved in the energy transfer to the substitutional Mn2+ centers, very likely through pairs interaction.

  6. Broadband transmission EPR spectroscopy.

    Directory of Open Access Journals (Sweden)

    Wilfred R Hagen

    Full Text Available EPR spectroscopy employs a resonator operating at a single microwave frequency and phase-sensitive detection using modulation of the magnetic field. The X-band spectrometer is the general standard with a frequency in the 9-10 GHz range. Most (biomolecular EPR spectra are determined by a combination of the frequency-dependent electronic Zeeman interaction and a number of frequency-independent interactions, notably, electron spin - nuclear spin interactions and electron spin - electron spin interactions, and unambiguous analysis requires data collection at different frequencies. Extant and long-standing practice is to use a different spectrometer for each frequency. We explore the alternative of replacing the narrow-band source plus single-mode resonator with a continuously tunable microwave source plus a non-resonant coaxial transmission cell in an unmodulated external field. Our source is an arbitrary wave digital signal generator producing an amplitude-modulated sinusoidal microwave in combination with a broadband amplifier for 0.8-2.7 GHz. Theory is developed for coaxial transmission with EPR detection as a function of cell dimensions and materials. We explore examples of a doublet system, a high-spin system, and an integer-spin system. Long, straigth, helical, and helico-toroidal cells are developed and tested with dilute aqueous solutions of spin label hydroxy-tempo. A detection limit of circa 5 µM HO-tempo in water at 800 MHz is obtained for the present setup, and possibilities for future improvement are discussed.

  7. The nature of the exchange coupling between high-spin Fe(III) heme o3 and CuBII in Escherichia coli quinol oxidase, cytochrome bo3: MCD and EPR studies.

    Science.gov (United States)

    Cheesman, Myles R; Oganesyan, Vasily S; Watmough, Nicholas J; Butler, Clive S; Thomson, Andrew J

    2004-04-07

    Fully oxidized cytochrome bo3 from Escherichia coli has been studied in its oxidized and several ligand-bound forms using electron paramagnetic resonance (EPR) and magnetic circular dichroism (MCD) spectroscopies. In each form, the spin-coupled high-spin Fe(III) heme o3 and CuB(II) ion at the active site give rise to similar fast-relaxing broad features in the dual-mode X-band EPR spectra. Simulations of dual-mode spectra are presented which show that this EPR can arise only from a dinuclear site in which the metal ions are weakly coupled by an anisotropic exchange interaction of J 1 cm-1. A variable-temperature and magnetic field (VTVF) MCD study is also presented for the cytochrome bo3 fluoride and azide derivatives. New methods are used to extract the contribution to the MCD of the spin-coupled active site in the presence of strong transitions from low-spin Fe(III) heme b. Analysis of the MCD data, independent of the EPR study, also shows that the spin-coupling within the active site is weak with J approximately 1 cm-1. These conclusions overturn a long-held view that such EPR signals in bovine cytochrome c oxidase arise from an S' = 2 ground state resulting from strong exchange coupling (J > 10(2) cm-1) within the active site.

  8. High-frequency EPR on high-spin transition-metal sites

    NARCIS (Netherlands)

    Mathies, Guinevere

    2012-01-01

    The electronic structure of transition-metal sites can be probed by electron-paramagnetic-resonance (EPR) spectroscopy. The study of high-spin transition-metal sites benefits from EPR spectroscopy at frequencies higher than the standard 9.5 GHz. However, high-frequency EPR is a developing field. In

  9. Use of the Frank sequence in pulsed EPR

    DEFF Research Database (Denmark)

    Tseitlin, Mark; Quine, Richard W.; Eaton, Sandra S.

    2011-01-01

    The Frank polyphase sequence has been applied to pulsed EPR of triarylmethyl radicals at 256MHz (9.1mT magnetic field), using 256 phase pulses. In EPR, as in NMR, use of a Frank sequence of phase steps permits pulsed FID signal acquisition with very low power microwave/RF pulses (ca. 1.5m......W in the application reported here) relative to standard pulsed EPR. A 0.2mM aqueous solution of a triarylmethyl radical was studied using a 16mm diameter cross-loop resonator to isolate the EPR signal detection system from the incident pulses. Keyword: Correlation spectroscopy,Multi-pulse EPR,Low power pulses...

  10. Quantitative EPR A Practitioners Guide

    CERN Document Server

    Eaton, Gareth R; Barr, David P; Weber, Ralph T

    2010-01-01

    This is the first comprehensive yet practical guide for people who perform quantitative EPR measurements. No existing book provides this level of practical guidance to ensure the successful use of EPR. There is a growing need in both industrial and academic research to provide meaningful and accurate quantitative EPR results. This text discusses the various sample, instrument and software related aspects required for EPR quantitation. Specific topics include: choosing a reference standard, resonator considerations (Q, B1, Bm), power saturation characteristics, sample positioning, and finally, putting all the factors together to obtain an accurate spin concentration of a sample.

  11. The structural flexibility of the human copper chaperone Atox1: Insights from combined pulsed EPR studies and computations.

    Science.gov (United States)

    Levy, Ariel R; Turgeman, Meital; Gevorkyan-Aiapetov, Lada; Ruthstein, Sharon

    2017-08-01

    Metallochaperones are responsible for shuttling metal ions to target proteins. Thus, a metallochaperone's structure must be sufficiently flexible both to hold onto its ion while traversing the cytoplasm and to transfer the ion to or from a partner protein. Here, we sought to shed light on the structure of Atox1, a metallochaperone involved in the human copper regulation system. Atox1 shuttles copper ions from the main copper transporter, Ctr1, to the ATP7b transporter in the Golgi apparatus. Conventional biophysical tools such as X-ray or NMR cannot always target the various conformational states of metallochaperones, owing to a requirement for crystallography or low sensitivity and resolution. Electron paramagnetic resonance (EPR) spectroscopy has recently emerged as a powerful tool for resolving biological reactions and mechanisms in solution. When coupled with computational methods, EPR with site-directed spin labeling and nanoscale distance measurements can provide structural information on a protein or protein complex in solution. We use these methods to show that Atox1 can accommodate at least four different conformations in the apo state (unbound to copper), and two different conformations in the holo state (bound to copper). We also demonstrate that the structure of Atox1 in the holo form is more compact than in the apo form. Our data provide insight regarding the structural mechanisms through which Atox1 can fulfill its dual role of copper binding and transfer. © 2017 The Protein Society.

  12. Stable radicals and biochemical compounds in embryos and endosperm of wheat grains differentiating sensitive and tolerant genotypes--EPR and Raman studies.

    Science.gov (United States)

    Kurdziel, Magdalena; Dłubacz, Aleksandra; Wesełucha-Birczyńska, Aleksandra; Filek, Maria; Łabanowska, Maria

    2015-07-01

    The aim of this study was to uncover the specific species in grains that might differentiate the wheat genotypes according to their tolerance to oxidative stress. Measurements by EPR and Raman spectroscopy techniques were used to examine whole grains and their parts (embryo, endosperm, seed coat) originating from four wheat genotypes with differing tolerance to drought stress. Raman spectra showed that, in spite of the similar amounts of proteins in whole grains from tolerant and sensitive genotypes, in tolerant ones they were accumulated mainly in embryos. Moreover, in embryos from these grains, a higher content of unsaturated fatty acids was observed. Endosperm of grains from the tolerant genotype, richer with starch than that of sensitive one, exhibited higher content of amylopectin. Detailed analysis of EPR signals and simulation procedures of the spectra allowed the estimation of the nature of interactions of Fe(III) and Mn(II) with organic and inorganic structures of grains and the character of organic stable radicals. Three types of these radicals: carbohydrate, semiquinone and phenoxyl, were identified. The amounts of these radicals were higher in grains of sensitive genotypes, mostly because of differences in carbohydrate radical content in endosperm. Taking into account the level of radical concentration and greater capacity for radical formation in grains from plants of lower tolerance to stress, the content of radicals, especially of a carbohydrate nature, was considered as a marker of the plant resistance to stress conditions. Copyright © 2015 Elsevier GmbH. All rights reserved.

  13. Mn7 species with an S = 29/2 ground state: high-frequency EPR studies of a species at the classical/quantum spin interface.

    Science.gov (United States)

    Wang, Zhenxing; van Tol, Johan; Taguchi, Taketo; Daniels, Matthew R; Christou, George; Dalal, Naresh S

    2011-11-09

    A high spin (S) compound has been synthesized whose properties straddle the interface between the classical and quantum mechanical spin descriptions. The cluster [Mn(7)O(4)(pdpm)(6)(N(3))(4)](ClO(4))(2) (Mn(7)) has an unprecedented core structure comprising an octahedral [Mn(III)(6)(μ(4)-O)(μ(3)-O)(3)(μ(3)-N(3))(4)](6+) unit with one of its faces capped by a Mn(II) ion. Magnetization and susceptibility studies indicate an S = (29/2) ground state, the maximum possible. Variable-temperature, high-frequency electron paramagnetic resonance (HF-EPR) spectra on powder and single-crystal samples of Mn(7) exhibit sharp spectral features characteristic of a quantum spin that are well resolved in a certain temperature range but which transform to a continuum of peaks characteristic of a classical spin in another; these features have been well reproduced by computer simulations. A fast Fourier transform analysis of the sharp spectral features and the low temperature EPR spectra suggests that more than one spin state are involved.

  14. Optical and EPR studies of Gd{sub 2}Zr{sub 2}O{sub 7} phosphors prepared via solution combustion method

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Vijay, E-mail: vijayjiin2006@yahoo.com [Department of Chemical Engineering, Konkuk University, Seoul 143-701 (Korea, Republic of); Sivaramaiah, Gobburu [Department of Physics, Government College (M), Kadapa 516004 (India); Rao, J.L. [Department of Physics, Sri Venkateswara University, Tirupati 517502 (India); Hwan Kim, Sang, E-mail: sanghhkim@konkuk.ac.kr [Department of Chemical Engineering, Konkuk University, Seoul 143-701 (Korea, Republic of)

    2013-05-01

    Phosphor powder of Gd{sub 2}Zr{sub 2}O{sub 7} has been prepared by the urea combustion route. Phase evolution of the synthesized powder is determined by X-ray diffraction (XRD) technique. The structural environment between the Gd{sup 3+} and the zirconium oxide lattice has been investigated using electron paramagnetic resonance (EPR), diffuse reflectance and photoluminescence (PL) studies. The EPR spectrum of Gd{sub 2}Zr{sub 2}O{sub 7} phosphor exhibits a broad and intense signal at g≈2.0 and this has been attributed to Gd{sup 3+} ions in octahedral symmetry with strong dipolar interactions between Gd{sup 3+} ions. The intensity of the spectrum increases with temperature lowering from 296 to 110 K following the usual Boltzmann law. The g value is invariant with temperature variation. The diffuse reflectance spectrum exhibits two sharp and weak bands characteristic of Gd{sup 3+} ions in octahedral symmetry. The photoluminescence spectrum exhibits several bands characteristic of Gd{sup 3+} ions in octahedral symmetry.

  15. Broadband Transmission EPR Spectroscopy

    Science.gov (United States)

    Hagen, Wilfred R.

    2013-01-01

    EPR spectroscopy employs a resonator operating at a single microwave frequency and phase-sensitive detection using modulation of the magnetic field. The X-band spectrometer is the general standard with a frequency in the 9–10 GHz range. Most (bio)molecular EPR spectra are determined by a combination of the frequency-dependent electronic Zeeman interaction and a number of frequency-independent interactions, notably, electron spin – nuclear spin interactions and electron spin – electron spin interactions, and unambiguous analysis requires data collection at different frequencies. Extant and long-standing practice is to use a different spectrometer for each frequency. We explore the alternative of replacing the narrow-band source plus single-mode resonator with a continuously tunable microwave source plus a non-resonant coaxial transmission cell in an unmodulated external field. Our source is an arbitrary wave digital signal generator producing an amplitude-modulated sinusoidal microwave in combination with a broadband amplifier for 0.8–2.7 GHz. Theory is developed for coaxial transmission with EPR detection as a function of cell dimensions and materials. We explore examples of a doublet system, a high-spin system, and an integer-spin system. Long, straigth, helical, and helico-toroidal cells are developed and tested with dilute aqueous solutions of spin label hydroxy-tempo. A detection limit of circa 5 µM HO-tempo in water at 800 MHz is obtained for the present setup, and possibilities for future improvement are discussed. PMID:23555819

  16. The dynamics of the surface layer of lipid membranes doped by vanadium complex: computer modeling and EPR studies

    Directory of Open Access Journals (Sweden)

    Olchawa Ryszard

    2015-07-01

    Full Text Available Penetration of the liposome membranes doped with vanadium complex formed in the liquid-crystalline phase from egg yolk lecithin (EYL by the TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl spin probes has been investigated. The penetration process was followed by 360 hours at 24°C, using the electron spin resonance (EPR method. The spectroscopic parameter of the partition (F of this probe indicated that a maximum rigidity of the membrane was at 3% concentration of the vanadium complex. Computer simulations showed that the increase in the rigidity of the membrane corresponds to the closure of gaps in the surface layer of the membrane, and indicates the essential role of the membrane surface in transport processes.

  17. Increased iron accumulation occurs in the earliest stages of demyelinating disease: an ultra-high field susceptibility mapping study in Clinically Isolated Syndrome.

    Science.gov (United States)

    Al-Radaideh, Ali M; Wharton, Samuel J; Lim, Su-Yin; Tench, Christopher R; Morgan, Paul S; Bowtell, Richard W; Constantinescu, Cris S; Gowland, Penny A

    2013-06-01

    To determine, using ultra-high field magnetic resonance imaging (MRI), whether changes in iron content occur in the earliest phases of demyelinating disease, by quantifying the magnetic susceptibility of deep grey matter structures in patients with Clinically Isolated Syndrome (CIS) that is suggestive of multiple sclerosis (MS), as compared with age-matched healthy subjects. We compared 19 CIS patients to 20 age-matched, healthy controls. Scanning of the study subjects was performed on a 7T Philips Achieva system, using a 3-dimensional, T2*-weighted gradient echo acquisition. Phase data were first high-pass filtered, using a dipole fitting method, and then inverted to produce magnetic susceptibility maps. Region of interest (ROI) analysis was used to estimate magnetic susceptibility values for deep grey matter structures (caudate nucleus, putamen, globus pallidus, the thalamus and its pulvinar). Significantly increased relative susceptibilities were found in the CIS group, compared with controls, for the caudate nucleus (p = 0.05). In CIS patients, the time elapsed since the clinical event and the Expanded Disability Status Scale (EDSS) scores were not correlated with iron levels in any ROI (r(2) 0.05); however, a moderate correlation (r(2) = 0.3; p disease.

  18. Electronic structure of a weakly antiferromagnetically coupled Mn(II)Mn(III) model relevant to manganese proteins: a combined EPR, 55Mn-ENDOR, and DFT study.

    Science.gov (United States)

    Cox, Nicholas; Ames, William; Epel, Boris; Kulik, Leonid V; Rapatskiy, Leonid; Neese, Frank; Messinger, Johannes; Wieghardt, Karl; Lubitz, Wolfgang

    2011-09-05

    An analysis of the electronic structure of the [Mn(II)Mn(III)(μ-OH)-(μ-piv)(2)(Me(3)tacn)(2)](ClO(4))(2) (PivOH) complex is reported. It displays features that include: (i) a ground 1/2 spin state; (ii) a small exchange (J) coupling between the two Mn ions; (iii) a mono-μ-hydroxo bridge, bis-μ-carboxylato motif; and (iv) a strongly coupled, terminally bound N ligand to the Mn(III). All of these features are observed in structural models of the oxygen evolving complex (OEC). Multifrequency electron paramagnetic resonance (EPR) and electron nuclear double resonance (ENDOR) measurements were performed on this complex, and the resultant spectra simulated using the Spin Hamiltonian formalism. The strong field dependence of the (55)Mn-ENDOR constrains the (55)Mn hyperfine tensors such that a unique solution for the electronic structure can be deduced. Large hyperfine anisotropy is required to reproduce the EPR/ENDOR spectra for both the Mn(II) and Mn(III) ions. The large effective hyperfine tensor anisotropy of the Mn(II), a d(5) ion which usually exhibits small anisotropy, is interpreted within a formalism in which the fine structure tensor of the Mn(III) ion strongly perturbs the zero-field energy levels of the Mn(II)Mn(III) complex. An estimate of the fine structure parameter (d) for the Mn(III) of -4 cm(-1) was made, by assuming the intrinsic anisotropy of the Mn(II) ion is small. The magnitude of the fine structure and intrinsic (onsite) hyperfine tensor of the Mn(III) is consistent with the known coordination environment of the Mn(III) ion as seen from its crystal structure. Broken symmetry density functional theory (DFT) calculations were performed on the crystal structure geometry. DFT values for both the isotropic and the anisotropic components of the onsite (intrinsic) hyperfine tensors match those inferred from the EPR/ENDOR simulations described above, to within 5%. This study demonstrates that DFT calculations provide reliable estimates for spectroscopic

  19. Cysteine, thiourea and thiocyanate interactions with clays: FT-IR, Mössbauer and EPR spectroscopy and X-ray diffractometry studies.

    Science.gov (United States)

    de Santana, Henrique; Paesano, Andrea; da Costa, Antonio C S; di Mauro, Eduardo; de Souza, Ivan G; Ivashita, Flávio F; de Souza, Cláudio M D; Zaia, Cássia T B V; Zaia, Dimas A M

    2010-04-01

    The present study examined the adsorption of cysteine, thiourea and thiocyanate on bentonite and montmorillonite at two different pHs (3.00, 8.00). The conditions used here are closer to those of prebiotic earth. As shown by FT-IR, Mössbauer and EPR spectroscopy and X-ray diffractometry, the most important finding of this work is that cysteine and thiourea penetrate into the interlayer of the clays and reduce Fe(3+) to Fe(2+), and as consequence, cystine and c,c'-dithiodiformamidinium ion are formed. This mechanism resembles that which occurs with aconitase. This is a very important result for prebiotic chemistry; we should think about clays not just sink of molecules, but as primitive vessels of production of biomolecules. At pH 8.00, an increasing expansion was observed in the following order for both minerals: thiourea > thiocyanate > cysteine. At pH 3.00, the same order was not observed and thiourea had an opposite behavior, being the compound producing the lowest expansion. Mössbauer spectroscopy showed that at pH 8.00, the proportion of Fe(2+) ions in bentonite increased, doubling for thiourea, or more than doubling for cysteine, in both clays. However, at pH 3.00, cysteine and thiourea did not change significantly the relative amount of Fe(2+) and Fe(3+) ions, when compared to clays without adsorption. For thiocyanate, the amount of Fe(2+) produced was independent of the pH or clay used, probably because the interlayers of clays are very acidic and HSCN formed does not reduce Fe(3+) to Fe(2+). For the interaction of thiocyanate with the clays, it was not possible to identify any potential compound formed. For the samples of bentonite and montmorillonite at pH 8.00 with cysteine, EPR spectroscopy showed that intensity of the lines due to Fe(3+) decreased because the reaction of Fe(3+)/cysteine. Intensity of EPR lines did not change when the samples of bentonite at pH 3.00 with and without cysteine were compared. These results are in accordance with those

  20. Single crystal EPR studies of paramagnetic ions doped zinc potassium phosphate hexahydrate. Part III: Mn(II)—a case of rhombic distortion

    Science.gov (United States)

    Anandalakshmi, H.; Sougandi, I.; Velavan, K.; Venkatesan, R.; Rao, P. S.

    2004-09-01

    Single crystal electron paramagnetic resonance (EPR) studies of Mn(II) doped zinc potassium phosphate hexahydrate have been carried out at room temperature. Single crystal rotations along the three orthogonal axes indicate orthorhombic symmetry with spin-Hamiltonian parameters as: gxx=1.9997; gyy=1.9538; gzz=1.9524, Dxx=15.49 mT; Dyy=0.22 mT; Dzz=-15.71 mT, Axx=11.70 mT; Ayy=10.53 mT; Azz=10.42 mT and a=0.8×10 -4 cm -1. A large E term indicates considerable distortion from axial symmetry. The impurity is found to enter the lattice substitutionally. The distortion axis for the impurity has been identified along one of the ZnO bond directions in the crystal.

  1. Single crystal EPR studies of paramagnetic ions doped zinc potassium phosphate hexahydrate; Part III: Mn(II)-a case of rhombic distortion.

    Science.gov (United States)

    Anandalakshmi, H; Sougandi, I; Velavan, K; Venkatesan, R; Rao, P S

    2004-09-01

    Single crystal electron paramagnetic resonance (EPR) studies of Mn(II) doped zinc potassium phosphate hexahydrate have been carried out at room temperature. Single crystal rotations along the three orthogonal axes indicate orthorhombic symmetry with spin-Hamiltonian parameters as: g(xx) = 1.9997; g(yy) = 1.9538; g(zz) = 1.9524, D(xx) = 15.49 mT; D(yy) = 0.22 mT; D(zz) = -15.71 mT, A(xx) = 11.70 mT; A(yy) = 10.53 mT; A(zz) = 10.42 mT and a = 0.8 x 10(-4) cm(-1). A large E term indicates considerable distortion from axial symmetry. The impurity is found to enter the lattice substitutionally. The distortion axis for the impurity has been identified along one of the Zn-O bond directions in the crystal.

  2. Organic matter transformation in the environment investigated by quantitative electron paramagnetic resonance (EPR) spectroscopy: studies on lignins

    Science.gov (United States)

    Czechowski, Franciszek; Golonka, Iwona; Jezierski, Adam

    2004-05-01

    The lignins separated from angiosperm and gymnosperm trees, peat and xylitic brown coal were investigated by quantitative EPR. Observed free radicals in lignins are sensitive to alkaline environment. Gaseous ammonia interacting with solid lignins in resonance cavity shifts quinone-hydroquinone equilibria towards formation of semiquinone anions. Complexation of copper(II) by lignins causes drastic decrease of the semiquinones in the matrices. Formation of lignin-Pb(II) complexes yielded radicals characterised by unusually low g-value (1.9999-2.0003). Monomeric structural units of the investigated lignins were recognised by pyrolysis with in situ methylation by tetramethylammonium hydroxide. Although for the natural lignins the mixture of normal semiquinone signals at g about 2.0034 and signals at g 1.9999 were observed, some monomeric components of lignins (e.g., caffeic acid, pyrogallol) gave pure lines at g=1.9999. The bacterial oxidative biodegradation of lignin monomeric components and their Pb(II) complexes resulted in increase of the radical signals.

  3. Organic matter transformation in the environment investigated by quantitative electron paramagnetic resonance (EPR) spectroscopy: studies on lignins

    Energy Technology Data Exchange (ETDEWEB)

    Czechowski, F.; Golonka, I.; Jezierski, A. [University of Wroclaw, Wroclaw (Poland). Faculty of Chemistry

    2004-05-01

    The lignins separated from angiosperm and gymnosperm trees, peat and xylitic brown coal were investigated by quantitative EPR. Observed free radicals in lignins are sensitive to alkaline environment. Gaseous ammonia interacting with solid lignins in resonance cavity shifts quinone-hydroquinone equilibria towards formation of semiquinone anions. Complexation of copper(II) by lignins causes drastic decrease of the semiquinones in the matrices. Formation of lignin-Pb(II) complexes yielded radicals characterised by unusually low g-value (1.9999-2.0003). Monomeric structural units of the investigated lignins were recognised by pyrolysis with in situ methylation by tetramethylammonium hydroxide. Although for the natural lignins the mixture of normal semiquinone signals at g about 2.0034 and signals at g 1.9999 were observed, some monomeric components of lignins (e.g., caffeic acid, pyrogallol) gave pure lines at g = 1.9999. The bacterial oxidative biodegradation of lignin monomeric components and their Pb(II) complexes resulted in increase of the radical signals.

  4. Effects of clary sage oil and its main components, linalool and linalyl acetate, on the plasma membrane of Candida albicans: an in vivo EPR study.

    Science.gov (United States)

    Blaskó, Ágnes; Gazdag, Zoltán; Gróf, Pál; Máté, Gábor; Sárosi, Szilvia; Krisch, Judit; Vágvölgyi, Csaba; Makszin, Lilla; Pesti, Miklós

    2017-02-01

    The effects of clary sage (Salvia sclarea L.) oil (CS-oil), and its two main components, linalool (Lol) and linalyl acetate (LA), on cells of the eukaryotic human pathogen yeast Candida albicans were studied. Dynamic and thermodynamic properties of the plasma membrane were investigated by electron paramagnetic resonance (EPR) spectroscopy, with 5-doxylstearic acid (5-SASL) and 16-SASL as spin labels. The monitoring of the head group regions with 5-SASL revealed break-point frequency decrease in a temperature dependent manner of the plasma membrane between 9.55 and 13.15 °C in untreated, in CS-oil-, Lol- and LA-treated membranes. The results suggest a significant increase in fluidity of the treated plasma membranes close to the head groups. Comparison of the results observed with the two spin labels demonstrated that CS-oil and LA induced an increased level of fluidization at both depths of the plasma membrane. Whereas Lol treatment induced a less (1 %) ordered bilayer organization in the superficial regions and an increased (10 %) order of the membrane leaflet in deeper layers. Acute toxicity tests and EPR results indicated that both the apoptotic and the effects exerted on the plasma membrane fluidity depended on the composition and chemical structure of the examined materials. In comparison with the control, treatment with CS-oil, Lol or LA induced 13.0, 12.3 and 26.4 % loss respectively, of the metabolites absorbing at 260 nm, as a biological consequence of the plasma membrane fluidizing effects. Our results confirmed that clary sage oil causes plasma membrane perturbations which leads to cell apoptosis process.

  5. Membrane docking geometry of GRP1 PH domain bound to a target lipid bilayer: an EPR site-directed spin-labeling and relaxation study.

    Directory of Open Access Journals (Sweden)

    Huai-Chun Chen

    Full Text Available The second messenger lipid PIP(3 (phosphatidylinositol-3,4,5-trisphosphate is generated by the lipid kinase PI3K (phosphoinositide-3-kinase in the inner leaflet of the plasma membrane, where it regulates a broad array of cell processes by recruiting multiple signaling proteins containing PIP(3-specific pleckstrin homology (PH domains to the membrane surface. Despite the broad importance of PIP(3-specific PH domains, the membrane docking geometry of a PH domain bound to its target PIP(3 lipid on a bilayer surface has not yet been experimentally determined. The present study employs EPR site-directed spin labeling and relaxation methods to elucidate the membrane docking geometry of GRP1 PH domain bound to bilayer-embedded PIP(3. The model target bilayer contains the neutral background lipid PC and both essential targeting lipids: (i PIP(3 target lipid that provides specificity and affinity, and (ii PS facilitator lipid that enhances the PIP(3 on-rate via an electrostatic search mechanism. The EPR approach measures membrane depth parameters for 18 function-retaining spin labels coupled to the PH domain, and for calibration spin labels coupled to phospholipids. The resulting depth parameters, together with the known high resolution structure of the co-complex between GRP1 PH domain and the PIP(3 headgroup, provide sufficient constraints to define an optimized, self-consistent membrane docking geometry. In this optimized geometry the PH domain engulfs the PIP(3 headgroup with minimal bilayer penetration, yielding the shallowest membrane position yet described for a lipid binding domain. This binding interaction displaces the PIP(3 headgroup from its lowest energy position and orientation in the bilayer, but the headgroup remains within its energetically accessible depth and angular ranges. Finally, the optimized docking geometry explains previous biophysical findings including mutations observed to disrupt membrane binding, and the rapid lateral

  6. Competing interactions and dimensional crossover in (Er{sub 0.5}Y{sub 0.5}){sub 2}Cu{sub 2}O{sub 5} studied by EPR

    Energy Technology Data Exchange (ETDEWEB)

    Typek, J. [Institute of Physics, Szczecin University of Technology, Al. Piastow 17, 70-310 Szczecin (Poland)]. E-mail: typjan@ps.pl

    2007-08-16

    Copper spin dynamics in (Er{sub 0.5}Y{sub 0.5}){sub 2}Cu{sub 2}O{sub 5} solid solution has been investigated by electron paramagnetic resonance (EPR) technique. The temperature dependence of the EPR integrated intensity of the resonance line has showed a pronounced maximum at low temperatures and has vanished at the transition to the antiferromagnetic ordering at T {sub N} = 11 K. The temperature at which the EPR integrated intensity reaches maximum was different for the heating and cooling runs. Study of the product of integrated intensity and temperature has allowed determination of the dominating interactions in a particular temperature range. A model used previously to describe the AFM modes in the antiferromagnetic state of Y{sub 2}Cu{sub 2}O{sub 5} was applied to explain the observed changes in the EPR spectra. A dimensional crossover from 2D to 3D magnetic behaviour was observed at 55 K and interpreted in terms of the spin correlation length.

  7. EPR in characterization of seeds paramagnetic species

    Energy Technology Data Exchange (ETDEWEB)

    Luiz, A.P.C.; Mauro, M.F.F.L.; Portugal, K.O.; Barbana, V.M.; Guedes, C.L.B.; Mauro, E. di; Carneiro, C.E.A.; Zaia, D.A.M.; Prete, C.E.C. [Universidade Estadual de Londrina (UEL), PR (Brazil)

    2011-07-01

    Full text. In Brazil, since 1970s, renewable fuel programs has been developed in order to replace petroleum. Today a program that has been discussed is the bio diesel, which intend to replace diesel fuel, fossil oil, to bio diesel, renewal fuel. As seeds are the basis for production of oil and consequently processed into bio diesel, the goal of this work is to characterize and compare paramagnetic species present in the seeds by Electron Paramagnetic Resonance (EPR). Samples used in this study were seeds of sorghum, barley, corn, peanuts, soy beans, cotton, wheat, oats, mustard, rice, sunflower and turnip. Some paramagnetic species present in soil was also investigated as goethite (FeOOH), hematite (Fe{sub 2}O{sub 3}), magnetite (Fe{sub 3}O{sub 4}), and ferrihydrite (Fe{sub 5}HO{sub 8} {center_dot} 4H{sub 2}O), since, these species present in appreciable quantities in the soil can be present in the seeds and analyzed for comparison. The characterization of these species is essential to understand the EPR seeds spectra. Each sample is placed in a thin quartz tube 4 mm in diameter, and it is inserted into the cavity of the spectrometer at room temperature, at low temperature (77 K) and variable temperature using liquid nitrogen flow and hot flow through a compressor air. It was used as standard Mg O:Mn{sup 2+}, which is also inserted into the cavity. Shortly after the potency is regulated, frequency, amplitude and sweep the field. The spectroscopic analysis by EPR X-band ({approx} 9:5GHz), were performed at the Fluorescence and Electron Paramagnetic Resonance Laboratory, Exact Sciences Center, State University of Londrina, Parana state, Brazil, through an EPR spectrometer JEOL brand (JES-PE-3X). In the EPR spectra, spectroscopic factor or g factor and line width were determined in paramagnetic species. Studies from several seeds with EPR technique detected in all of them presence of same complex of Fe{sup 3+} present in the goethite at g {approx} 2, and in the seeds

  8. Lorentz symmetry breaking effects on relativistic EPR correlations

    Energy Technology Data Exchange (ETDEWEB)

    Belich, H. [Universidade Federal do Espirito Santo, Departamento de Fisica e Quimica, Vitoria, ES (Brazil); Furtado, C.; Bakke, K. [Universidade Federal da Paraiba, Departamento de Fisica, Caixa Postal 5008, Joao Pessoa, PB (Brazil)

    2015-09-15

    Lorentz symmetry breaking effects on relativistic EPR (Einstein-Podolsky-Rosen) correlations are discussed. From the modified Maxwell theory coupled to gravity, we establish a possible scenario of the Lorentz symmetry violation and write an effective metric for the Minkowski spacetime. Then we obtain the Wigner rotation angle via the Fermi-Walker transport of spinors and consider the WKB (Wentzel-Kramers-Brillouin) approximation in order to study the influence of Lorentz symmetry breaking effects on the relativistic EPR correlations. (orig.)

  9. Detection of nanodiamonds in biological samples by EPR spectrometry.

    Science.gov (United States)

    Inzhevatkin, E V; Baron, A V; Maksimov, N G; Volkova, M B; Puzyr, A P; Bondar, V S

    2017-11-01

    In model experiments in vitro, the applicability of the EPR spectrometry method for the detection of modified nanodiamonds (MNDs) in blood and homogenates of mouse organs has been established. A characteristic signal (g = 2.003, ΔH ≈ 10 G) is observed in the samples of biomaterials containing MNDs, the intensity of which increases linearly with the concentration of nanoparticles in the range of 1.6-200 μg MNDs per 1 mL of the sample. The EPR method in biomaterials reveals the presence of intrinsic paramagnetic centers, signals from which are superimposed on the signal from the MNDs. However, the intensity of these signals is small, which makes it possible to register the MNDs using EPR spectrometry with the necessary accuracy. The data obtained open up the prospects of using the EPR method for studies of the interorgan distribution, accumulation, and elimination of MNDs during their intravenous injection into experimental animals.

  10. Evidence for the stabilization of manganese ion as Mn (II) and Mn (IV) in α-Zn{sub 2}P{sub 2}O{sub 7}: Probed by EPR, luminescence and electrochemical studies

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Santosh K., E-mail: santufrnd@gmail.com [Radiochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Kadam, R.M. [Radiochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Gupta, R. [Fuel Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Sahu, Manjulata [Radioanalytical Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Natarajan, V. [Radiochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

    2014-05-01

    Zn{sub 2}P{sub 2}O{sub 7}: Mn was synthesized by wet chemical route and characterized by X-ray diffraction (XRD), electron paramagnetic resonance (EPR) and photoluminescence (PL) techniques. EPR spectroscopic studies confirmed the presence of both Mn{sup 2+} and Mn{sup 4+} ions in zinc pyrophosphate. The presence of EPR signal at g = 2 is attributed to Mn{sup 2+} at Zn{sup 2+} site having octahedral coordination of oxygen whereas the presence of an EPR signal at g = 1.998 is attributed to Mn{sup 4+} at Zn{sup 2+} site having considerably lower symmetry due to the presence of extra interstitial oxygen ions required for charge compensation or due to the substitution of manganese at distorted 5-coordinated zinc site. Photoluminescence spectrum also shows two bands, one at 500 nm (green emission), which is attributed to the {sup 4}T{sub 1} ({sup 4}G)–{sup 6}A{sub 1} ({sup 6}S) transition of Mn{sup 2+} and the other centered at 686 nm (red emission), which is attributed to the electronic transition between {sup 2}E and {sup 4}A{sub 2} of Mn{sup 4+}. - Graphical abstract: Display Omitted - Highlights: • Stabilization of manganese as Mn{sup 2+} and Mn{sup 4+} in the same host. • EPR spectroscopy has shown the presence of Mn{sup 2+} and Mn{sup 4+} in 6-coordinated and 5-coordinated Zn{sup 2+} sites, respectively. • Emission spectrum also shows green emission from Mn{sup 2+} and red emission from Mn{sup 4+}.

  11. Strain sensors for high field pulse magnets

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, Christian [Los Alamos National Laboratory; Zheng, Yan [Los Alamos National Laboratory; Easton, Daniel [Los Alamos National Laboratory; Farinholt, Kevin M [Los Alamos National Laboratory; Park, Gyuhae [Los Alamos National Laboratory

    2009-01-01

    In this paper we present an investigation into several strain sensing technologies that are being considered to monitor mechanical deformation within the steel reinforcement shells used in high field pulsed magnets. Such systems generally operate at cryogenic temperatures to mitigate heating issues that are inherent in the coils of nondestructive, high field pulsed magnets. The objective of this preliminary study is to characterize the performance of various strain sensing technologies at liquid nitrogen temperatures (-196 C). Four sensor types are considered in this investigation: fiber Bragg gratings (FBG), resistive foil strain gauges (RFSG), piezoelectric polymers (PVDF), and piezoceramics (PZT). Three operational conditions are considered for each sensor: bond integrity, sensitivity as a function of temperature, and thermal cycling effects. Several experiments were conducted as part of this study, investigating adhesion with various substrate materials (stainless steel, aluminum, and carbon fiber), sensitivity to static (FBG and RFSG) and dynamic (RFSG, PVDF and PZT) load conditions, and sensor diagnostics using PZT sensors. This work has been conducted in collaboration with the National High Magnetic Field Laboratory (NHMFL), and the results of this study will be used to identify the set of sensing technologies that would be best suited for integration within high field pulsed magnets at the NHMFL facility.

  12. Enzymatic and cryoreduction EPR studies of the hydroxylation of methylated N(ω)-hydroxy-L-arginine analogues by nitric oxide synthase from Geobacillus stearothermophilus.

    Science.gov (United States)

    Davydov, Roman; Labby, Kristin Jansen; Chobot, Sarah E; Lukoyanov, Dmitriy A; Crane, Brian R; Silverman, Richard B; Hoffman, Brian M

    2014-10-21

    Nitric oxide synthase (NOS) catalyzes the conversion of L-arginine to L-citrulline and NO in a two-step process involving the intermediate N(ω)-hydroxy-L-arginine (NHA). It was shown that Cpd I is the oxygenating species for L-arginine; the hydroperoxo ferric intermediate is the reactive intermediate with NHA. Methylation of the N(ω)-OH and N(ω)-H of NHA significantly inhibits the conversion of NHA into NO and L-citrulline by mammalian NOS. Kinetic studies now show that N(ω)-methylation of NHA has a qualitatively similar effect on H₂O₂-dependent catalysis by bacterial gsNOS. To elucidate the effect of methylating N(ω)-hydroxy L-arginine on the properties and reactivity of the one-electron-reduced oxy-heme center of NOS, we have applied cryoreduction/annealing/EPR/ENDOR techniques. Measurements of solvent kinetic isotope effects during 160 K cryoannealing cryoreduced oxy-gsNOS/NHA confirm the hydroperoxo ferric intermediate as the catalytically active species of step two. Product analysis for cryoreduced samples with methylated NHA's, NHMA, NMOA, and NMMA, annealed to 273 K, show a correlation of yields of L-citrulline with the intensity of the g 2.26 EPR signal of the peroxo ferric species trapped at 77 K, which converts to the reactive hydroperoxo ferric state. There is also a correlation between the yield of L-citrulline in these experiments and k(obs) for the H₂O₂-dependent conversion of the substrates by gsNOS. Correspondingly, no detectable amount of cyanoornithine, formed when Cpd I is the reactive species, was found in the samples. Methylation of the NHA guanidinium N(ω)-OH and N(ω)-H inhibits the second NO-producing reaction by favoring protonation of the ferric-peroxo to form unreactive conformers of the ferric-hydroperoxo state. It is suggested that this is caused by modification of the distal-pocket hydrogen-bonding network of oxy gsNOS and introduction of an ordered water molecule that facilitates delivery of the proton(s) to the one

  13. EPR-Spin Trapping and Flow Cytometric Studies of Free Radicals Generated Using Cold Atmospheric Argon Plasma and X-Ray Irradiation in Aqueous Solutions and Intracellular Milieu.

    Science.gov (United States)

    Uchiyama, Hidefumi; Zhao, Qing-Li; Hassan, Mariame Ali; Andocs, Gabor; Nojima, Nobuyuki; Takeda, Keigo; Ishikawa, Kenji; Hori, Masaru; Kondo, Takashi

    2015-01-01

    Electron paramagnetic resonance (EPR)-spin trapping and flow cytometry were used to identify free radicals generated using argon-cold atmospheric plasma (Ar-CAP) in aqueous solutions and intracellularly in comparison with those generated by X-irradiation. Ar-CAP was generated using a high-voltage power supply unit with low-frequency excitation. The characteristics of Ar-CAP were estimated by vacuum UV absorption and emission spectra measurements. Hydroxyl (·OH) radicals and hydrogen (H) atoms in aqueous solutions were identified with the spin traps 5,5-dimethyl-1-pyrroline N-oxide (DMPO), 3,3,5,5-tetramethyl-1-pyrroline-N-oxide (M4PO), and phenyl N-t-butylnitrone (PBN). The occurrence of Ar-CAP-induced pyrolysis was evaluated using the spin trap 3,5-dibromo-4-nitrosobenzene sulfonate (DBNBS) in aqueous solutions of DNA constituents, sodium acetate, and L-alanine. Human lymphoma U937 cells were used to study intracellular oxidative stress using five fluorescent probes with different affinities to a number of reactive species. The analysis and quantification of EPR spectra revealed the formation of enormous amounts of ·OH radicals using Ar-CAP compared with that by X-irradiation. Very small amounts of H atoms were detected whereas nitric oxide was not found. The formation of ·OH radicals depended on the type of rare gas used and the yield correlated inversely with ionization energy in the order of krypton > argon = neon > helium. No pyrolysis radicals were detected in aqueous solutions exposed to Ar-CAP. Intracellularly, ·OH, H2O2, which is the recombination product of ·OH, and OCl- were the most likely formed reactive oxygen species after exposure to Ar-CAP. Intracellularly, there was no practical evidence for the formation of NO whereas very small amounts of superoxides were formed. Despite the superiority of Ar-CAP in forming ·OH radicals, the exposure to X-rays proved more lethal. The mechanism of free radical formation in aqueous solutions and an

  14. EPR-Spin Trapping and Flow Cytometric Studies of Free Radicals Generated Using Cold Atmospheric Argon Plasma and X-Ray Irradiation in Aqueous Solutions and Intracellular Milieu.

    Directory of Open Access Journals (Sweden)

    Hidefumi Uchiyama

    Full Text Available Electron paramagnetic resonance (EPR-spin trapping and flow cytometry were used to identify free radicals generated using argon-cold atmospheric plasma (Ar-CAP in aqueous solutions and intracellularly in comparison with those generated by X-irradiation. Ar-CAP was generated using a high-voltage power supply unit with low-frequency excitation. The characteristics of Ar-CAP were estimated by vacuum UV absorption and emission spectra measurements. Hydroxyl (·OH radicals and hydrogen (H atoms in aqueous solutions were identified with the spin traps 5,5-dimethyl-1-pyrroline N-oxide (DMPO, 3,3,5,5-tetramethyl-1-pyrroline-N-oxide (M4PO, and phenyl N-t-butylnitrone (PBN. The occurrence of Ar-CAP-induced pyrolysis was evaluated using the spin trap 3,5-dibromo-4-nitrosobenzene sulfonate (DBNBS in aqueous solutions of DNA constituents, sodium acetate, and L-alanine. Human lymphoma U937 cells were used to study intracellular oxidative stress using five fluorescent probes with different affinities to a number of reactive species. The analysis and quantification of EPR spectra revealed the formation of enormous amounts of ·OH radicals using Ar-CAP compared with that by X-irradiation. Very small amounts of H atoms were detected whereas nitric oxide was not found. The formation of ·OH radicals depended on the type of rare gas used and the yield correlated inversely with ionization energy in the order of krypton > argon = neon > helium. No pyrolysis radicals were detected in aqueous solutions exposed to Ar-CAP. Intracellularly, ·OH, H2O2, which is the recombination product of ·OH, and OCl- were the most likely formed reactive oxygen species after exposure to Ar-CAP. Intracellularly, there was no practical evidence for the formation of NO whereas very small amounts of superoxides were formed. Despite the superiority of Ar-CAP in forming ·OH radicals, the exposure to X-rays proved more lethal. The mechanism of free radical formation in aqueous solutions and

  15. In Vivo Imaging of Tissue Physiological Function using EPR Spectroscopy | NCI Technology Transfer Center | TTC

    Science.gov (United States)

    Electron paramagnetic resonance (EPR) is a technique for studying chemical species that have one or more unpaired electrons.  The current invention describes Echo-based Single Point Imaging (ESPI), a novel EPR image formation strategy that allows in vivo imaging of physiological function.  The National Cancer Institute's Radiation Biology Branch is seeking statements of capability or interest from parties interested in in-licensing an in vivo imaging using Electron paramagnetic resonance (EPR) to measure active oxygen species.

  16. EPR studies of the vitamin K 1 semiquinone radical anion. Comparison to the electron acceptor A 1 in green plant photosystem I

    Science.gov (United States)

    Thurnauer, Marion C.; Brown, James W.; Gast, P.; Feezel, Laura L.

    Suggestions that the electron acceptor, A 1, in Photosystem I is a quinone have come from both optical and epr experiments. Vitamin K 1 (phylloquinone) is present in the PSI complex with a stoichiometry of two molecules per reaction center. In order to determine if A 1 can be identified with vitamin K 1, X-band and Q-band epr properties of the vitamin K 1 radical anion in frozen alcohol solutions are examined. The results are compared to the epr properties that have been observed for the reduced A 1 acceptor in vivo. The g-values obtained for the vitamin K 1 radical anion are consistent with identifying A 1 with vitamin K 1.

  17. Alternative chitosan-based EPR dosimeter applicable for a relatively wide range of gamma radiation doses

    Science.gov (United States)

    Piroonpan, Thananchai; Katemake, Pichayada; Panritdam, Eagkapong; Pasanphan, Wanvimol

    2017-12-01

    Chitosan biopolymer is proposed as an alternative EPR dosimeter. Its ability to be EPR dosimeter was studied in comparison with the conventional alanine, sugars (i.e., glucose and sucrose), formate derivatives (i.e., lithium (Li), magnesium (Mg), and calcium (Ca) formate). Ethylene vinyl acetate (EVA) and paraffin were used as binder for the preparation of composite EPR dosimeter. Dose responses of all materials were investigated in a wide dose range of radiation doses, i.e., low-level (0-1 kGy), medium-level (1-10 kGy) and high-level (10-100 kGy). The EPR dosimeter properties were studied under different parameters, i.e., microwave power, materials contents, absorbed doses, storage conditions and post-irradiation effects. Li-formate showed a simple EPR spectrum and exhibited superior radiation response for low-dose range; whereas chitosan and sucrose exhibited linear dose response in all studied dose ranges. The EPR signals of chitosan exhibited similar stability as glucose, Li-formate and alanine at ambient temperature after irradiation as long as a year. All EPR signals of the studied materials were affected post-irradiation temperature and humidity after gamma irradiation. The EPR signal of chitosan exhibited long-term stability and it was not sensitive to high storage temperatures and humidity values after irradiation. Chitosan has a good merit as the alternative bio-based material for a stable EPR dosimeter in a wide range of radiation-absorbed doses.

  18. Study of EPR, optical properties and electrical conductivity of vanadyl doped Bi2O3.PbO.B2O3 glasses.

    Science.gov (United States)

    Gahlot, P S; Agarwal, A; Seth, V P; Sanghi, S; Gupta, S K; Arora, M

    2005-04-01

    Heavy metal based oxide glasses having composition xBi(2)O(3).(0.30 - x)PbO.0.70B(2)O(3) have been prepared (0.00 melt-quenching technique. Electron paramagnetic resonance (EPR), optical spectra and dc conductivity of these glasses have been studied. Spin Hamiltonian parameters (SHP) of VO(2+) ions, dipolar hyperfine parameter, P and Fermi contact interaction parameter, K, molecular orbital coefficients (alpha(2) and gamma(2)) and optical band gap have been calculated. It is observed that in these glasses, the tetragonal nature of V(4+)O(6) complex increases with Bi(2)O(3) content. Increase in Bi(2)O(3):PbO ratio results in the contraction of 3d(xy) orbit of the unpaired electron in the vanadium ion, and the SHP are dependent on the theoretical optical basicity, Lambda(th). In present glasses, the conductivity (activation energy) first decreases (increases) with increase in mol% of Bi(2)O(3) content upto x = 0.08 and then shows a maxima (minima) at x = 0.10 and then starts decreasing (increasing) upto x < or = 0.15 with mol% of Bi(2)O(3) content.

  19. Effect of temperature on thermal oxidation of palmitic acid studied by combination of EPR spin trapping technique and SPME-GC-MS/MS.

    Science.gov (United States)

    Chen, Hongjian; Wang, Yong; Cao, Peirang; Liu, Yuanfa

    2017-11-01

    Effect of temperatures on thermal oxidation of palmitic acid was studied by the combination of EPR and GC-MS/MS. DMPO was used as the spin trap. The experimental spectrum was simulated with alkyl and alkoxyl spin adducts. Total amount of spins, a parameter to indicate radical concentrations, detected at 180°C was nearly 10 times higher than that at 175°C. Besides, total amounts of spins detected at 180°C decreased rapidly because of the reaction between radical adducts and newly formed radicals. Signal intensities of alkyl radical adducts increased rapidly from 0.405 to 4.785 from 175°C to 180°C. Besides, more palmitic acid degraded to oxidized compounds from 175°C to 180°C than that of other temperature ranges. The C-C linkages between carbons 2 to 6 were easier to be oxidized at 180°C. The results all implied that oxidation rates of palmitic acid samples increased rapidly from 175°C to 180°C. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. EPR: the nuclear impasse; EPR: l'impasse nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Marillier, F. [Association Ecologiste Greenpeace (France)

    2008-07-01

    The questions relative to the climatic change constitute crucial challenges for the next ten years. In this context the author aims to show how the EPR project illustrates the nuclear french ''autism''. He presents and analyzes the international and environmental impacts of this obsolete technology, as a project useless and dangerous. (A.L.B.)

  1. A variable temperature EPR study of Mn(2+)-doped NH(4)Cl(0.9)I(0.1) single crystal at 170 GHz: zero-field splitting parameter and its absolute sign.

    Science.gov (United States)

    Misra, Sushil K; Andronenko, Serguei I; Chand, Prem; Earle, Keith A; Paschenko, Sergei V; Freed, Jack H

    2005-06-01

    EPR measurements have been carried out on a single crystal of Mn(2+)-doped NH(4)Cl(0.9)I(0.1) at 170-GHz in the temperature range of 312-4.2K. The spectra have been analyzed (i) to estimate the spin-Hamiltonian parameters; (ii) to study the temperature variation of the zero-field splitting (ZFS) parameter; (iii) to confirm the negative absolute sign of the ZFS parameter unequivocally from the temperature-dependent relative intensities of hyperfine sextets at temperatures below 10K; and (iv) to detect the occurrence of a structural phase transition at 4.35K from the change in the structure of the EPR lines with temperature below 10K.

  2. High field electrical behaviour in lithium–phospho–vanadate glass ...

    Indian Academy of Sciences (India)

    High field electrical behaviour; lithium–phospho–vanadate glass system. 1. Introduction. High field electrical switching behaviour is one of the fascinating properties in oxide glasses, since it exhibits reversible threshold and irreversible memory states. Several investigations have been initiated to study switching in glasses ...

  3. Research on EPR measurement methods of sucrose used in radiation accident dose reconstruction.

    Science.gov (United States)

    Ding, Yanqiu; Jiao, Ling; Zhang, Wenyi; Zhou, Li; Zhang, Xiaodong; Zhang, Liang'an

    2010-03-01

    Sucrose is a convenient, common, tissue-equivalent material suitable for electron paramagnetic resonance (EPR) dosimetry of ionising radiation. A number of publications have reported on the dosimetric properties of sucrose and their use in radiation accident dose reconstruction. However, previous studies did not include specially the description of measurement methods of sucrose by EPR. The aim of this work is to introduce particularly the EPR measurement methods of sucrose. In this regard, practical considerations of sample size, microwave power, modulation amplitude, EPR spectrum and signal stability are discussed.

  4. The measurement of oxygen in vivo using EPR techniques

    Energy Technology Data Exchange (ETDEWEB)

    Swartz, Harold M. [Dartmouth Medical School, Hanover, NH 03755 (United States); Clarkson, Robert B. [College of Veterinary Medicine, University of Illinois, Urbana, IL 61801 (United States)

    1998-07-01

    The measurement of pO{sub 2} in vivo using EPR has some features which have already led to very useful applications and this approach is likely to have increasingly wide and effective use. It is based on the effect of oxygen on EPR spectra which provides a sensitive and accurate means to measure pO{sub 2} quantitatively. The development of oxygen-sensitive paramagnetic materials which are very stable, combined with instrumental developments, has been crucial to the in vivo applications of this technique. The physical basis and biological applications of in vivo EPR oximetry are reviewed, with particular emphasis on the use of EPR spectroscopy at 1 GHz using particulate paramagnetic materials for the repetitive and non-invasive measurement of pO{sub 2} in tissues. In vivo EPR has already produced some very useful results which have contributed significantly to solving important biological problems. The characteristics of EPR oximetry which appear to be especially useful are often complementary to existing techniques for measuring oxygen in tissues. These characteristics include the capability of making repeated measurements from the same site, high sensitivity to low levels of oxygen, and non-invasive options. The existing techniques are especially useful for studies in small animals, where the depth of measurements is not an overriding issue. In larger animals and potentially in human subjects, non-invasive techniques seem to be immediately applicable to study phenomena very near the surface (within 10 mm) while invasive techniques have some very promising uses. The clinical uses of EPR oximetry which seem especially promising and likely to be undertaken in the near future are long-term monitoring of the status and response to treatment of peripheral vascular disease and optimizing cancer therapy by enabling it to be modified on the basis of the pO{sub 2} measured in the tumour. (author)

  5. EPR studies of the water oxidizing complex in the S1 and the higher S states: the manganese cluster and Y(Z) radical.

    Science.gov (United States)

    Mino, H; Kawamori, A

    2001-01-05

    The parallel polarization electron paramagnetic resonance (EPR) method has been applied to investigate manganese EPR signals of native S1 and S3 states of the water oxidizing complex (WOC) in photosystem (PS) II. The EPR signals in both states were assigned to thermally excited states with S=1, from which zero-field interaction parameters D and E were derived. Three kinds of signals, the doublet signal, the singlet-like signal and g=11-15 signal, were detected in Ca2+-depleted PS II. The g=11-15 signal was observed by parallel and perpendicular modes and assigned to a higher oxidation state beyond S2 in Ca2+-depleted PS II. The singlet-like signal was associated with the g=11-15 signal but not with the Y(Z) (the tyrosine residue 161 of the D1 polypeptide in PS II) radical. The doublet signal was associated with the Y(Z) radical as proved by pulsed electron nuclear double resonance (ENDOR) and ENDOR-induced EPR. The electron transfer mechanism relevant to the role of Y(Z) radical was discussed.

  6. The Crystal Structure of Micro- and Nanopowders of ZnS Studied by EPR of Mn^sup 2+^ and XRD

    National Research Council Canada - National Science Library

    Valentyna Nosenko; Igor Vorona; Valentyn Grachev; Stanislav Ishchenko; Nikolai Baran; Yurii Becherikov; Anton Zhuk; Yuliya Polishchuk; Vasyl Kladko; Alexander Selishchev

    2016-01-01

      The crystal structure of micro- and nanopowders of ZnS doped with different impurities was analyzed by the electron paramagnetic resonance (EPR) of Mn2+ and XRD methods. The powders of ZnS:Cu, ZnS:Mn, ZnS:Co...

  7. EPR spectroscopy of a family of Cr(III) 7M(II) (M = Cd, Zn, Mn, Ni) "wheels": studies of isostructural compounds with different spin ground states

    DEFF Research Database (Denmark)

    Piligkos, Stergios; Weihe, Høgni; Bill, Eckhard

    2009-01-01

    spin states is observed.We present highly resolved multifrequency (X-, K-, Q- and W-band) continous wave EPR spectra of the heterooctametalic "wheels", [(CH(3))(2)NH(2)][Cr(III) (7)M(II)F(8)((CH(3))(3)CCOO)(16)], hereafter Cr(7)M, where M=Cd, Zn, Mn, and Ni. These experimental spectra provide rare...

  8. Synthesis, X-ray crystal structure, and EPR study of [Na(H 2O) 2] 2[VO(H 2O) 5][SiW 12O 40]·4H 2O

    Science.gov (United States)

    Tézé, André; Marchal-Roch, Catherine; So, Hyunsoo; Fournier, Michel; Hervé, Gilbert

    2001-03-01

    The vanadyl salt [Na(H 2O) 2] 2[VO(H 2O) 5][SiW 12O 40]·4H 2O has been synthesized in mild conditions by cationic exchanges from dodecasilicotungstic acid. Structural determination and EPR study have been achieved on single crystals. They are tetragonal, space group P4/ n with a=14.7759(1), c=10.4709(2) Å, V=2286(1) Å 3 and Z=2. A three-dimensional framework built from Keggin anions [SiW 12O 40] 4- linked by sodium cations in (110) and ( 1 1¯0 ) planes generates channels along the c axis in which are localized aquo vanadyl complexes [VO(H 2O) 5] 2+ and water molecules. Single crystal EPR spectra show eight hyperfine lines of the vanadium atom ( I=7/2) which are split into 1:2:1 pattern when the magnetic field is parallel to the c axis. The triplet pattern may be attributed to weak dipolar interactions between the nearest-neighbor vanadium atoms which are 10.47 Å apart in the infinite chain. A ring model was used to simulate the spectrum, and a very small antiferromagnetic exchange interaction was determined accurately . The EPR parameters determined are gx= gy=1.980, gz=1.9336, Ax= Ay=0.0072 cm -1, and Az=0.01805 cm -1, J=-0.00025 cm -1.

  9. Competitive sorption and selective sequence of Cu(II) and Ni(II) on montmorillonite: Batch, modeling, EPR and XAS studies

    Science.gov (United States)

    Yang, Shitong; Ren, Xuemei; Zhao, Guixia; Shi, Weiqun; Montavon, Gilles; Grambow, Bernd; Wang, Xiangke

    2015-10-01

    Heavy metal ions that leach from various industrial and agricultural processes are simultaneously present in the contaminated soil and water systems. The competitive sorption of these toxic metal ions on the natural soil components and sediments significantly influences their migration, bioavailability and ecotoxicity in the geochemical environment. In this study, the competitive sorption and selectivity order of Cu(II) and Ni(II) on montmorillonite are investigated by combining the batch experiments, X-ray diffraction (XRD), electron paramagnetic resonance (EPR), surface complexation modeling and X-ray Absorption Spectroscopy (XAS). The batch experimental data show that the coexisting Ni(II) exhibits a negligible influence on the sorption behavior of Cu(II), whereas the coexisting Cu(II) reduces the Ni(II) sorption percentage and changes the shape of the Ni(II) sorption isotherm. The sorption species of Cu(II) and Ni(II) on montmorillonite over the acidic and near-neutral pH range are well simulated by the surface complexation modeling. However, this model cannot identify the occurrence of surface nucleation and the co-precipitation processes at a highly alkaline pH. Based on the results of the EPR and XAS analyses, the microstructures of Cu(II) on montmorillonite are identified as the hydrated free Cu(II) ions at pH 5.0, inner-sphere surface complexes at pH 6.0 and the surface dimers/Cu(OH)2(s) precipitate at pH 8.0 in the single-solute and the binary-solute systems. For the Ni(II) sorption in the single-solute system, the formed microstructure varies from the hydrated free Ni(II) ions at the pH values of 5.0 and 6.0 to the inner-sphere surface complexes at pH 8.0. For the Ni(II) sorption in the binary-solute system, the coexisting Cu(II) induces the formation of the inner-sphere complexes at pH 6.0. In contrast, Ni(II) is adsorbed on montmorillonite via the formation of Ni phyllosilicate co-precipitate/α-Ni(OH)2(s) precipitate at pH 8.0. The selective sequence

  10. Quantitative study of signal intensity in hepatic hemangioma: a new parameter in high field magnetic resonance; Estudo quantitativo da intensidade de sinal do hemangioma hepatico: um novo parametro utilizado em ressonancia magnetica de alto campo

    Energy Technology Data Exchange (ETDEWEB)

    D`Ippolito, Giuseppe; Tiferes, Dario Ariel [Escola Paulista de Medicina, Sao Paulo, SP (Brazil)

    1995-05-01

    Prospective study of morphologic and quantitative parameters of hepatic hemangiomas in high field magnetic resonance, establishing their isolated efficacy and the best sequence for high diagnostic accuracy. Sixteen hepatic hemangiomas were examined in spin-echo and multiecho sequences. The morphologic aspects of the lesion were analyzed and lesion /liver signal intensity ratio was computed. Results showed that, although high field magnetic resonance is highly sensible in the detection of hepatic hemangiomas (94%), the great variety of appearances may cause diagnostic doubts (66.7% of atypic hemangiomas) when morphologic parameters are used only. On the other hand, the exclusive use of lesion/liver intensity ratio suggested the diagnosis of hemangioma in all cases. (author). 30 refs., 3 figs., 4 tabs.

  11. Effect of Ca2+/Sr2+ substitution on the electronic structure of the oxygen-evolving complex of photosystem II: a combined multifrequency EPR, 55Mn-ENDOR, and DFT study of the S2 state.

    Science.gov (United States)

    Cox, Nicholas; Rapatskiy, Leonid; Su, Ji-Hu; Pantazis, Dimitrios A; Sugiura, Miwa; Kulik, Leonid; Dorlet, Pierre; Rutherford, A William; Neese, Frank; Boussac, Alain; Lubitz, Wolfgang; Messinger, Johannes

    2011-03-16

    The electronic structures of the native Mn(4)O(x)Ca cluster and the biosynthetically substituted Mn(4)O(x)Sr cluster of the oxygen evolving complex (OEC) of photosystem II (PSII) core complexes isolated from Thermosynechococcus elongatus, poised in the S(2) state, were studied by X- and Q-band CW-EPR and by pulsed Q-band (55)Mn-ENDOR spectroscopy. Both wild type and tyrosine D less mutants grown photoautotrophically in either CaCl(2) or SrCl(2) containing media were measured. The obtained CW-EPR spectra of the S(2) state displayed the characteristic, clearly noticeable differences in the hyperfine pattern of the multiline EPR signal [Boussac et al. J. Biol. Chem.2004, 279, 22809-22819]. In sharp contrast, the manganese ((55)Mn) ENDOR spectra of the Ca and Sr forms of the OEC were remarkably similar. Multifrequency simulations of the X- and Q-band CW-EPR and (55)Mn-pulsed ENDOR spectra using the Spin Hamiltonian formalism were performed to investigate this surprising result. It is shown that (i) all four manganese ions contribute to the (55)Mn-ENDOR spectra; (ii) only small changes are seen in the fitted isotropic hyperfine values for the Ca(2+) and Sr(2+) containing OEC, suggesting that there is no change in the overall spin distribution (electronic coupling scheme) upon Ca(2+)/Sr(2+) substitution; (iii) the changes in the CW-EPR hyperfine pattern can be explained by a small decrease in the anisotropy of at least two hyperfine tensors. It is proposed that modifications at the Ca(2+) site may modulate the fine structure tensor of the Mn(III) ion. DFT calculations support the above conclusions. Our data analysis also provides strong support for the notion that in the S(2) state the coordination of the Mn(III) ion is square-pyramidal (5-coordinate) or octahedral (6-coordinate) with tetragonal elongation. In addition, it is shown that only one of the currently published OEC models, the Siegbahn structure [Siegbahn, P. E. M. Acc. Chem. Res.2009, 42, 1871-1880, Pantazis

  12. Analysis of EPR and FISH studies of radiation doses in persons who lived in the upper reaches of the Techa River

    Energy Technology Data Exchange (ETDEWEB)

    Degteva, M.O.; Shagina, N.B.; Shishkina, E.A.; Vozilova, A.V.; Volchkova, A.Y.; Vorobiova, M.I. [Urals Research Center for Radiation Medicine, Chelyabinsk (Russian Federation); Wieser, A. [Helmholtz Centrum Munich, Neuherberg (Germany); Fattibene, P.; Della Monaca, S. [Instituto Superiore di Sanita, Rome (Italy); Ainsbury, E.; Moquet, J. [Public Health England, Chilton, Didcot (United Kingdom); Anspaugh, L.R. [University of Utah, Salt Lake City, UT (United States); Napier, B.A. [Pacific Northwest National Laboratory, Richland, WA (United States)

    2015-11-15

    Waterborne radioactive releases into the Techa River from the Mayak Production Association in Russia during 1949-1956 resulted in significant doses to about 30,000 persons who lived in downstream settlements. The residents were exposed to internal and external radiation. Two methods for reconstruction of the external dose are considered in this paper, electron paramagnetic resonance (EPR) measurements of teeth, and fluorescence in situ hybridization (FISH) measurements of chromosome translocations in circulating lymphocytes. The main issue in the application of the EPR and FISH methods for reconstruction of the external dose for the Techa Riverside residents was strontium radioisotopes incorporated in teeth and bones that act as a source of confounding local exposures. In order to estimate and subtract doses from incorporated {sup 89,90}Sr, the EPR and FISH assays were supported by measurements of {sup 90}Sr-body burdens and estimates of {sup 90}Sr concentrations in dental tissues by the luminescence method. The resulting dose estimates derived from EPR to FISH measurements for residents of the upper Techa River were found to be consistent: The mean values vary from 510 to 550 mGy for the villages located close to the site of radioactive release to 130-160 mGy for the more distant villages. The upper bound of individual estimates for both methods is equal to 2.2-2.3 Gy. The EPR- and FISH-based dose estimates were compared with the doses calculated for the donors using the most recent Techa River Dosimetry System (TRDS). The TRDS external dose assessments are based on the data on contamination of the Techa River floodplain, simulation of air kerma above the contaminated soil, age-dependent lifestyles and individual residence histories. For correct comparison, TRDS-based doses were calculated from two sources: external exposure from the contaminated environment and internal exposure from {sup 137}Cs incorporated in donors' soft tissues. It is shown here that the

  13. ANALYSIS OF EPR AND FISH STUDIES OF RADIATION DOSES IN PERSONS WHO LIVED IN THE UPPER REACHES OF THE TECHA RIVER

    Energy Technology Data Exchange (ETDEWEB)

    Degteva, M. O.; Shagina, N. B.; Shishkina, Elena A.; Vozilova, Alexandra; Volchkova, A. Y.; Vorobiova, M. I.; Wieser, Albrecht; Fattibene, Paola; Della Monaca, S.; Ainsbury, E.; Moquet, J.; Anspaugh, L. R.; Napier, Bruce A.

    2015-07-24

    Waterborne radioactive releases into the Techa River from the Mayak Production Association in Russia during 1949–1956 resulted in significant doses to about 30,000 persons who lived in downstream settlements. The residents were exposed to internal and external radiation. Two methods for reconstruction of the external dose are considered in this paper, electron paramagnetic resonance (EPR) measurements of teeth and fluorescence in situ hybridization (FISH) measurements of chromosome translocations in circulating lymphocytes. The main issue in the application of the EPR and FISH methods for reconstruction of the external dose for the Techa Riverside residents was strontium radioisotopes incorporated in teeth and bones that served as a source of confounding local exposures. In order to estimate and subtract doses from incorporated 89,90Sr, the EPR and FISH assays were supported by measurements of 90Sr-body burdens and estimates of 90Sr concentrations in dental tissues by the luminescence method. The resulting dose estimates derived from EPR and FISH measurements for residents of the upper Techa River were found to be consistent: the mean values vary from 510 – 550 mGy for the villages located close to the site of radioactive release to 130 – 160 mGy for the more distant villages. The upper bound of individual estimates for both methods is equal to 2.2 – 2.3 Gy. The EPR- and FISH-based dose estimates were compared with the doses calculated for the donors using the Techa River Dosimetry System (TRDS). The TRDS external dose assessments were based on the data on contamination of the Techa River floodplain, simulation of ai r kerma above the contaminated soil, age-dependent life-styles and individual residence histories. For correct comparison TRDS-based doses were calculated from two sources: external exposure from the contaminated environment and internal exposure from 137Cs incorporated in donors’ soft tissues. The TRDS-based absorbed doses in tooth enamel

  14. Identification and dosimetry of irradiated walnuts (Juglans regia) using EPR

    Science.gov (United States)

    Maghraby, A.; Salama, E.; Sami, A.; Mansour, A.; El-Sayed, M.

    2012-03-01

    Electron paramagnetic resonance (EPR) is an easy, fast, and reliable tool for identification of irradiated food. Untreated nuts may encounter hazards of carrying several pathogens or microbial contamination; walnuts are of specific importance due to their nutritional and medicinal values, and hence walnut processing via gamma irradiation is a necessary step. EPR was employed for the identification and dosimetry of Cs-137 gamma-irradiated walnuts (shells and kernels). Several important parameters were studied, such as spectral features, microwave power dependence of signal intensities, and short- and long-term time dependences. Responses of walnut shells and kernels to different radiation doses in the range 0-10 kGy were investigated. Results confirmed that EPR is a suitable tool for the identification and dosimetry of irradiated walnuts using either their shells or only kernels.

  15. EPR structure of the gamma irradiated alanine spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Cabral P, A.; Jimenez D, H.; Urena N, F.; Galindo, S.; Bosch, P

    1992-03-15

    In this study is shown that the broadened five-line EPR pattern of the gamma irradiated alanine possibly decomposes into a more complex pattern when the recorded spectrum is subject to an operation of deconvolution. The EPR powder spectra of gamma irradiated DL- and L-alanine with and without binders are analysed. In all recorded spectra, each observed line is resolved into an asymmetrical triplet when a Gaussian distribution of 8.2 gauss width is removed, by deconvolution, from the observed spectrum. On the other hand, from a simple fitting analysis carried out on the original data, one encounters that some calculated relations between characteristic parameters, such as intensity ratios, deviate consistently from assumed height ratios. Both, from deconvolution and fitting results, a different structure is suggested for the observed broadened five-line EPR pattern of {gamma}-irradiated powder DL- and L-alanine. (Author)

  16. EPR spectroscopy of a family of Cr(III) 7M(II) (M = Cd, Zn, Mn, Ni) "wheels": studies of isostructural compounds with different spin ground states.

    Science.gov (United States)

    Piligkos, Stergios; Weihe, Høgni; Bill, Eckhard; Neese, Frank; El Mkami, Hassane; Smith, Graham M; Collison, David; Rajaraman, Gopalan; Timco, Grigore A; Winpenny, Richard E P; McInnes, Eric J L

    2009-01-01

    Spinning wheels: The presented highly resolved multifrequency continuous wave EPR spectra (e.g., see figure) of the heterooctametalic "wheels" Cr(7)M provide rare examples of high nuclearity polymetallic systems where detailed information on the spin-Hamiltonian parameters of the ground and excited spin states is observed.We present highly resolved multifrequency (X-, K-, Q- and W-band) continous wave EPR spectra of the heterooctametalic "wheels", [(CH(3))(2)NH(2)][Cr(III) (7)M(II)F(8)((CH(3))(3)CCOO)(16)], hereafter Cr(7)M, where M=Cd, Zn, Mn, and Ni. These experimental spectra provide rare examples of high nuclearity polymetallic systems where detailed information on the spin-Hamiltonian parameters of the ground and excited spin states is observed. We interpret the EPR spectra by use of restricted size effective subspaces obtained by the rigorous solution of spin-Hamiltonians of dimension up to 10(5) by use of the Davidson algorithm. We show that transferability of spin-Hamiltonian parameters across complexes of the Cr(7)M family is possible and that the spin-Hamiltonian parameters of Cr(7)M do not have sharply defined values, but are rather distributed around a mean value.

  17. Skeletal muscle and glioma oxygenation by carbogen inhalation in rats: a longitudinal study by EPR oximetry using single-probe implantable oxygen sensors.

    Science.gov (United States)

    Hou, Huagang; Khan, Nadeem; Lariviere, Jean; Hodge, Sassan; Chen, Eunice Y; Jarvis, Lesley A; Eastman, Alan; Williams, Benjamin B; Kuppusamy, Periannan; Swartz, Harold M

    2014-01-01

    The feasibility of EPR oximetry using a single-probe implantable oxygen sensor (ImOS) was tested for repeated measurement of pO₂ in skeletal muscle and ectopic 9L tumors in rats. The ImOS (50 mm length) were constructed using nickel-chromium alloy wires, with lithium phthalocyanine (LiPc, oximetry probe) crystals loaded in the sensor loop and coated with AF 2400(®) Teflon. These ImOS were implanted into the skeletal muscle in the thigh and subcutaneous 9L tumors. Dynamic changes in tissue pO₂ were assessed by EPR oximetry at baseline, during tumor growth, and repeated hyperoxygenation with carbogen breathing. The mean skeletal muscle pO₂ of normal rats was stable and significantly increased during carbogen inhalation in experiments repeated for 12 weeks. The 9L tumors were hypoxic with a tissue pO₂ of 12.8 ± 6.4 mmHg on day 1; however, the response to carbogen inhalation varied among the animals. A significant increase in the glioma pO₂ was observed during carbogen inhalation on day 9 and day 14 only. In summary, EPR oximetry with ImOS allowed direct and longitudinal oxygen measurements in deep muscle tissue and tumors. The heterogeneity of 9L tumors in response to carbogen highlights the need to repeatedly monitor pO₂ to confirm tumor oxygenation so that such changes can be taken into account in planning therapies and interpreting results.

  18. Metal Ion Interactions with Immunoglobulin G (IgG). 1. Preliminary Studies with Electron Paramagnetic Resonance (EPR) Spectroscopy and Ultrafiltration

    Science.gov (United States)

    1978-12-12

    Preliminary Interpretation of Spectra 60 sUltrafiltration eStudy of Cu(II)-IgGoSystems 74 < CONCLUSIONS 79 i Findings 79 Significance 79 Directions... cases , purchased standards, and making dilutions as required for the concentration (in ppm) range desired. By making solutions of standard concentration...hydration content in several cases , specifically chromium, iron, and nickel, the stock metal solutions were prepared by adding solid metal chloride to

  19. Aggregation behavior of amphiphilic p(HPMA)-co-p(LMA) copolymers studied by FCS and EPR spectroscopy.

    Science.gov (United States)

    Hemmelmann, Mirjam; Kurzbach, Dennis; Koynov, Kaloian; Hinderberger, Dariush; Zentel, Rudolf

    2012-12-10

    A combined study of fluorescence correlation spectroscopy and electron paramagnetic resonance spectroscopy gave a unique picture of p(HPMA)-co-p(LMA) copolymers in aqueous solutions, ranging from the size of micelles and aggregates to the composition of the interior of these self-assembled systems. P(HPMA)-co-p(LMA) copolymers have shown high potential as brain drug delivery systems, and a detailed study of their physicochemical properties can help to elucidate their mechanism of action. Applying two complementary techniques, we found that the self-assembly behavior as well as the strength of hydrophobic attraction of the amphiphilic copolymers can be tuned by the hydrophobic LMA content or the presence of hydrophobic molecules or domains. Studies on the dependence of the hydrophobic lauryl side chain content on the aggregation behavior revealed that above 5 mol % laury side-chain copolymers self-assemble into intrachain micelles and larger aggregates. Above this critical alkyl chain content, p(HPMA)-co-p(LMA) copolymers can solubilize the model drug domperidone and exhibit the tendency to interact with model cell membranes.

  20. Theoretical studies of EPR site center for Mn{sup 2+} in potassium thiourea bromide single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Ravi, S. [Department of Physics, Gandhigram Rural University, Gandhigram 624302 (India)], E-mail: sravi_phygri@yahoo.com; Subramanian, P. [Department of Physics, Gandhigram Rural University, Gandhigram 624302 (India)], E-mail: psmanian_gri@yahoo.com

    2007-11-01

    The impurity location of Mn{sup 2+} ion in potassium thiourea bromide single crystal is theoretically studied using perturbation formulas of spin Hamiltonian (SH) for 3d{sup 5} ions on strong-field scheme. The spin Hamiltonian parameter values are calculated by this technique. The g and A factors are in reasonable agreement with the experimental results. The zero-field splitting parameter is calculated as 775x10{sup -4} cm{sup -1}. The impurity ion Mn{sup 2+} undergoes off-center displacement of about 0.38 A. The results are discussed.

  1. Structural, magnetic, EPR, and electrochemical characterizations of a spin-frustrated trinuclear Cr(III) polyoxometalate and study of its reactivity with lanthanum cations.

    Science.gov (United States)

    Compain, Jean-Daniel; Mialane, Pierre; Dolbecq, Anne; Mbomekallé, Israël Martyr; Marrot, Jérôme; Sécheresse, Francis; Duboc, Carole; Rivière, Eric

    2010-03-15

    The asymmetric Cr(III) polyoxometalate complex Cs(10)[(gamma-SiW(10)O(36))(2)(Cr(OH)(H(2)O))(3)] x 17 H(2)O (1) has been synthesized in water under atmospheric pressure from the trinuclear precursor [Cr(3)(CH(3)COO)(7)(OH)(2)] and the divacant ligand [gamma-SiW(10)O(36)](8-). Complex 1 is built up of two [gamma-SiW(10)O(36)](8-) Keggin units sandwiching a trinuclear {(Cr(III)(OH)(H(2)O))(3)} fragment where the paramagnetic centers are bridged by three mu-OH ligands forming a nearly isosceles triangle. The magnetic properties of this spin-frustrated system have thus been interpreted considering a 2-J Hamiltonian showing that the Cr(III) ions are antiferromagnetically coupled and that 1 possesses an S = 3/2 ground state with an S = 1/2 first excited state located at 11 cm(-1). These results have been confirmed by EPR spectroscopy measurements (Q-band), which have also enabled the quantification of the electronic parameters characterizing the quadruplet spin ground state. The magnitude of the magnetic exchange interactions and the nature of the ground state are discussed in light of previously reported isosceles triangular S = 3/2 clusters. UV-visible and electrochemical studies have shown that 1 is stable in aqueous media in a 1-7 pH range. This stability is chemically confirmed by the study of the reactivity of 1 with La(III) cations, which has allowed the isolation of the Cs(4)[(gamma-SiW(10)O(36))(2)(Cr(OH)(H(2)O))(3)(La(H(2)O)(7))(2)] x 20 H(2)O compound (2). Indeed, during the synthetic process of this 3d-4f system, the integrity of the [(gamma-SiW(10)O(36))(2)(Cr(OH)(H(2)O))(3)](10-) building unit constituting 1 is maintained despite the high oxophilic character of the La(III) ions. The single crystal X-ray diffraction study of 2 has revealed that in the solid state the rare earth cations connect these subunits, affording a 3d-4f double-chain monodimensional system.

  2. Photosynthetic Electron and Proton Transport in Chloroplasts: EPR Study of ΔpH Generation, an Overview.

    Science.gov (United States)

    Tikhonov, Alexander N

    2017-12-01

    This is a brief overview focused on the electron paramagnetic resonance applications to the study of the proton transport processes in chloroplasts. After brief description of structural and functional organization of the chloroplast electron transport chain, our attention is focused on the measurements of trans-thylakoid pH difference (ΔpH) with pH-sensitive spin-probes. The use of spin-probes is based either (i) on measuring the ΔpH-partitioning of spin-probes between the thylakoid lumen and external volume, or (ii) on monitoring changes in the electron paramagnetic resonance spectra of pH-sensitive nitroxide radicals located in the lumen. Along with the use of spin-probes, the intra-thylakoid pH (pHin) can be determined by the "kinetic" method, which relies on the fact that the rate-limiting step in the chain of photosynthetic electron transfer (plastoquinol oxidation by the cytochrome b 6 f complex) is controlled by pHin. The results of ΔpH determinations in chloroplasts based on the use of pH-sensitive spin-probes and measurements of post-illumination reduction of photoreaction centers of Photosystem I are discussed in the context of the problem of energy coupling in laterally heterogeneous lamellar system of chloroplasts.

  3. The impact of short-term UV irradiation on grains of sensitive and tolerant cereal genotypes studied by EPR.

    Science.gov (United States)

    Kurdziel, Magdalena; Filek, Maria; Łabanowska, Maria

    2017-10-24

    UV irradiation has ionisation character and leads to the generation of reactive oxygen species (ROS). The destructive character of ROS was observed among others during interaction of cereal grains with ozone and was caused by changes in structures of biomolecules leading to the formation of stable organic radicals. That effect was more evident for stress sensitive genotypes. In this study we investigated the influence of UV irradiation on cereal grains originating from genotypes with different tolerance to oxidative stress. Grains and their parts (endosperm, embryo and seed coat) of barley, wheat and oat were subjected to short-term UV irradiation. It was found that UV caused the appearance of various kinds of reactive species (O2-• , H2 O2 ) and stable radicals (semiquinone, phenoxyl and carbon-centred). Simultaneously, lipid peroxidation occurred and the organic structure of Mn(II) and Fe(III) complexes become disturbed. UV irradiation causes damage of main biochemical structures of plant tissues, the effect is more significant in sensitive genotypes. In comparison with ozone treatment, UV irradiation leads to stronger destruction of biomolecules in grains and their parts. It is caused by the high energy of UV light, facilitating easier breakage of molecular bonds in biochemical compounds. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  4. Elucidating the Structures of the Low- and High-pH Mo(V) Species in Respiratory Nitrate Reductase: A Combined EPR, 14,15N HYSCORE, and DFT Study.

    Science.gov (United States)

    Rendon, Julia; Biaso, Frédéric; Ceccaldi, Pierre; Toci, René; Seduk, Farida; Magalon, Axel; Guigliarelli, Bruno; Grimaldi, Stéphane

    2017-04-17

    Respiratory nitrate reductases (Nars), members of the prokaryotic Mo/W-bis Pyranopterin Guanosine dinucleotide (Mo/W-bisPGD) enzyme superfamily, are key players in nitrate respiration, a major bioenergetic pathway widely used by microorganisms to cope with the absence of dioxygen. The two-electron reduction of nitrate to nitrite takes place at their active site, where the molybdenum ion cycles between Mo(VI) and Mo(IV) states via a Mo(V) intermediate. The active site shows two distinct pH-dependent Mo(V) electron paramagnetic resonance (EPR) signals whose structure and catalytic relevance have long been debated. In this study, we use EPR and HYSCORE techniques to probe their nuclear environment in Escherichia coli Nar (EcNar). By using samples prepared at different pH and through different enrichment strategies in 98Mo and 15N nuclei, we demonstrate that each of the two Mo(V) species is coupled to a single nitrogen nucleus with similar quadrupole characteristics. Structure-based density functional theory calculations allow us to propose a molecular model of the low-pH Mo(V) species consistent with EPR spectroscopic data. Our results show that the metal ion is coordinated by a monodentate aspartate ligand and permit the assignment of the coupled nitrogen nuclei to the Nδ of Asn52, a residue located ∼3.9 Å to the Mo atom in the crystal structures. This is confirmed by measurements on selectively 15N-Asn labeled EcNar. Further, we propose a Mo-O(H)···HN structure to account for the transfer of spin density onto the interacting nitrogen nucleus deduced from HYSCORE analysis. This work provides a foundation for monitoring the structure of the molybdenum active site in the presence of various substrates or inhibitors in Nars and other molybdenum enzymes.

  5. Design Studies and Optimization of High-Field Nb$_3$Sn Dipole Magnets for a Future Very High Energy PP Collider

    Energy Technology Data Exchange (ETDEWEB)

    Kashikhin, V. V. [Fermilab; Novitski, I. [Fermilab; Zlobin, A. V. [Fermilab

    2017-05-01

    High filed accelerator magnets with operating fields of 15-16 T based on the $Nb_3Sn$ superconductor are being considered for the LHC energy upgrade or a future Very High Energy pp Collider. Magnet design studies are being conducted in the U.S., Europe and Asia to explore the limits of the $Nb_3Sn$ accelerator magnet technology while optimizing the magnet design and performance parame-ters, and reducing magnet cost. The first results of these studies performed at Fermilab in the framework of the US-MDP are reported in this paper.

  6. EPR of exchange coupled systems

    CERN Document Server

    Bencini, Alessandro

    2012-01-01

    From chemistry to solid state physics to biology, the applications of Electron Paramagnetic Resonance (EPR) are relevant to many areas. This unified treatment is based on the spin Hamiltonian approach and makes extensive use of irreducible tensor techniques to analyze systems in which two or more spins are magnetically coupled. This edition contains a new Introduction by coauthor Dante Gatteschi, a pioneer and scholar of molecular magnetism.The first two chapters review the foundations of exchange interactions, followed by examinations of the spectra of pairs and clusters, relaxation in oligon

  7. Study of Belousov—Zhabotinsky oscillators in water—acetonitrile medium employing EMF and EPR techniques with o-vanillin, p-vanillin and adrenaline as substrates

    Science.gov (United States)

    Lalitha, P. V.; Ramaswamy, R.; Ramakrishnan, Geetha; Rao, P. Sambasiva

    1994-12-01

    The oscillatory behaviour of three substrates, ortho-vanillin, para-vanillin and adrenaline, in mixed media (water plus 20% acetonitrile) has been investigated using EPR and EMF techniques. All these substrates exhibit two types of oscillation involving Br 2/Br - and Mn(III)/Mn(II) redox couples. From the oscillatory characteristics (total time, number of oscillations and time per oscillation) obtained by employing these techniques, the reactivities of the vanillins have been correlated. The Field—Koros—Noyes mechanism, suggested for catalysed systems in pure aqueous medium, is established to be applicable even in mixed media.

  8. EPR spectroscopy of spices

    OpenAIRE

    R. T. Тimakova; S. L. Tikhonov; A. N. Tararkov; D. O. Vakhnin

    2016-01-01

    From 01 January 2017 you enter the interstate standard GOST 33271-2015 “Dry Spices, herbs and vegetable seasonings. Manual exposure in order to combat pathogens and other microorganisms” which States that the absorbed dose of radiation to the spices should be from 3 to 30 kGy. The study found that before the introduction of permissive legislative framework in the consumer market of Russia there are irradiated food products (chili, ground chili, ground spicy chili, black pepper). For radiation...

  9. Overview of LBB implementation for the EPR

    Energy Technology Data Exchange (ETDEWEB)

    Cauquelin, C.

    1997-04-01

    This paper presents an overview of the use of leak-before-break (LBB) analysis for EPR reactors. EPR is an evolutionary Nuclear Island of the 4 loop x 1500 Mwe class currently in the design phase. Application of LBB to the main coolant lines and resulting design impacts are summarized. Background information on LBB analysis in France and Germany is also presented.

  10. Superconductivity of the bulk MgB{sub 2}+nano(n)-SiC composite system: a high field magnetization study

    Energy Technology Data Exchange (ETDEWEB)

    Vajpayee, Arpita; Awana, V P S; Kishan, H [Superconductivity and Cryogenics Division, National Physical Laboratory, Dr K S Krishnan Road, New Delhi-110012 (India); Bhalla, G L [Department of Physics and Astrophysics, University of Delhi, New Delhi-110007 (India)], E-mail: awana@mail.nplindia.ernet.in

    2008-03-26

    We study the effect of nano(n)-SiC addition on the crystal structure, critical temperature (T{sub c}), critical current density (J{sub c}) and flux pinning in MgB{sub 2} superconductors. X-ray diffraction patterns show that all the samples have MgB{sub 2} as the main phase with a very small amount of MgO; further, with n-SiC addition the presence of Mg{sub 2}Si is also noted and confirmed by scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS). The T{sub c} value for pure MgB{sub 2} is 18.9 K under 8 T applied field, while it is 20.8 K for the 10 wt% n-SiC doped sample under the same field. This points towards the increment in the upper critical field value with n-SiC addition. The irreversibility field (H{sub irr}) for the 5% n-SiC added sample reached 11.3, 10 and 5.8 T, compared to 7.5, 6.5, and 4.2 T for the pure MgB{sub 2} at 5, 10 and 20 K, respectively. The critical current density (J{sub c}) for the 5 wt% n-SiC added sample is increased by a factor of 35 at 10 K and 6.5 T field and by a factor 20 at 20 K and 4.2 T field. These results are understood on the basis of superconducting condensate (sigma band) disorder and ensuing intrinsic pining due to B-site C substitution clubbed with further external pinning due to available n-SiC/Mg{sub 2}Si pins in the composite system.

  11. EPR Dosimetry - Present and Future

    Energy Technology Data Exchange (ETDEWEB)

    Regulla, D.F. [GSF - National Research Centre for Environment and Health, Institute of Radiation Protection, 85764 Neuherberg (Germany)

    1999-07-01

    In the past, IAEA has played a central role in stipulating research and development in EPR high-dose standardisation as well as in coordinating and organising international dose intercomparison programs, within the Member States of the United Nations from the mid-seventies till today. The future tasks of EPR dosimetry seem to tend towards different subjects such as bio markers, biological radiation effects, post-accident dose reconstruction in the environment, and retrospective human dosimetry. The latter may be considered a promising tool for epidemiology on the way to re-define radiation risk of man for chronicle radiation exposures, based on e.g. South Ural civil population and radiation workers. There are on-going international activities in the field of standardising high-level dosimetry by the American Standards on Testing and Materials (Astm), and by the International Organisation of Standards (ISO). The International Commission on Radiation Units and Measurements (ICRU) is considering the establishment of relevant recommendations concerning industrial radiation processing, but also human dose reconstruction. (Author)

  12. Synthesis, characterization, EPR spectroelectrochemistry studies and theoretical calculations of manganese(II) complexes with the ligands H{sub 3}bpeten and H{sub 3}bnbpeten

    Energy Technology Data Exchange (ETDEWEB)

    Romanowski, Stela Maris de M.; Friedermann, Geraldo R.; Mangrich, Antonio S.; Hermann, Monique de F.; Nakagaki, Shirley, E-mail: shirley@quimica.ufpr.b [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil). Dept. de Quimica; Machado, Sergio P.; Lima, Hugo Orofino [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Inst. de Quimica

    2010-07-01

    The synthesis and characterization of the manganese(II) complexes [Mn{sup II}(Hbpeten)] and [Mn{sup II}(Hbnbpeten)], where H{sub 3}bpeten and H{sub 3}bnbpeten are respectively [N,N'-bis-(2-hydroxybenzyl)- N-(2-pyridylmethyl)-N'-(2-hydroxyethyl)ethane-1,2-diamine] and [N,N'-bis-(5-nitro-2- hydroxybenzyl)-N'-(2-hydroxyethyl)ethane-1,2-diamine], are reported. The characterization was carried out by elemental analyses, cyclic voltammetry, spectroscopic methods (UV-Vis, FTIR, {sup 1}H NMR), electronic paramagnetic resonance spectroelectrochemistry (EPR) and theoretical DFT calculations. The electrochemistry and EPR spectroelectrochemistry data were consistent with the reduction of one of the nitro groups in free H{sub 3}bnbpeten and in the respective manganese(II) complex. These results were supported by DFT calculations, which showed that only one nitro group contributes to the LUMO. The theoretical data appear to be suitable to describe the electronic properties of the compounds. (author)

  13. Incorporation of Mn into the vacant T-atom sites of a BEA zeolite as isolated, mononuclear Mn: FTIR, XPS, EPR and DR UV-Vis studies.

    Science.gov (United States)

    Baran, R; Valentin, L; Dzwigaj, S

    2016-04-28

    A MnSiBEA zeolite has been prepared via a two-step postsynthesis procedure which consisted, in the first step, of the treatment of a tetraethylammonium BEA zeolite with nitric acid for the formation of vacant T-atom sites and then, in the second step, of the incorporation of Mn ions into the framework, resulting in a SiBEA zeolite, through their reaction with the silanol group of the vacant T-atom sites. The incorporation of Mn ions into the framework of the SiBEA zeolite has been evidenced using XRD. The formation of isolated mononuclear Mn(ii) and Mn(iii) in a MnSiBEA zeolite has been shown using FTIR, diffuse reflectance UV-Vis, EPR and XPS. The acidic properties of the mononuclear manganese species have been investigated via FTIR spectroscopy using pyridine as the probe molecule. The changes in the oxidation state of the Mn species under various treatments have been proven using EPR.

  14. Synthesis and characterization of mono- and dinuclear phenanthroline-extended tetramesitylporphyrin complexes as well as UV-Vis and EPR studies on their one-electron reduced species.

    Science.gov (United States)

    Matlachowski, Corinna; Schwalbe, Matthias

    2013-03-14

    The syntheses of mononuclear compounds based on the fused porphyrin phenanthroline ligand (H(2)-1) and their corresponding dinuclear porphyrin bis-bipyridine ruthenium complexes are reported. The extended π-system of the ligand is able to store electron equivalents as could be proven by the single electron reduction with KC(8) (and/or Na(Hg)) followed by subsequent UV-Vis and EPR analysis. Electron reduction could also be achieved under light illumination in a dichloromethane-triethylamine mixture. The two coordination spheres of the ligand are different so that mononuclear or (hetero)dinuclear complexes can be isolated depending on the reaction conditions. We could successfully introduce Zn, Cu and Pd into the porphyrinic unit leading to a series of mononuclear (M-1) compounds. Further, we could attach the bis-(4,4'-di-tert-butyl-2,2'-bipyridine) ruthenium fragment (Ru(tbbpy)(2)(2+)) to obtain dinuclear (M-1-Ru) metal complexes. In the case of Zn-1 an X-ray crystal structure could be obtained confirming the selective metallation in the porphyrinic unit. All metal complexes were isolated and characterized with standard analytical tools (elemental analysis, mass spectrometry and NMR (or EPR) spectroscopy).

  15. Quantitative Analysis of the Enhanced Permeation and Retention (EPR Effect.

    Directory of Open Access Journals (Sweden)

    Andrew D Wong

    Full Text Available Tumor vasculature is characterized by a variety of abnormalities including irregular architecture, poor lymphatic drainage, and the upregulation of factors that increase the paracellular permeability. The increased permeability is important in mediating the uptake of an intravenously administered drug in a solid tumor and is known as the enhanced permeation and retention (EPR effect. Studies in animal models have demonstrated a cut-off size of 500 nm - 1 µm for molecules or nanoparticles to extravasate into a tumor, however, surprisingly little is known about the kinetics of the EPR effect. Here we present a pharmacokinetic model to quantitatively assess the influence of the EPR effect on the uptake of a drug into a solid tumor. We use pharmacokinetic data for Doxil and doxorubicin from human clinical trials to illustrate how the EPR effect influences tumor uptake. This model provides a quantitative framework to guide preclinical trials of new chemotherapies and ultimately to develop design rules that can increase targeting efficiency and decrease unwanted side effects in normal tissue.

  16. "Molecular" MR imaging at high fields.

    Science.gov (United States)

    Gore, John C; Zu, Zhongliang; Wang, Ping; Li, Hua; Xu, Junzhong; Dortch, Richard; Gochberg, Daniel F

    2017-05-01

    Magnetic resonance imaging (MRI) and spectroscopy (MRS) have contributed considerably to clinical radiology, and a variety of MR techniques have been developed to evaluate pathological processes as well as normal tissue biology at the cellular and molecular level. However, in comparison to nuclear imaging, MRI has relatively poor sensitivity for detecting true molecular changes or for detecting the presence of targeted contrast agents, though these remain under active development. In recent years very high field (7T and above) MRI systems have been developed for human studies and these provide new opportunities and technical challenges for molecular imaging. We identify 5 types of intrinsic contrast mechanisms that do not require the use of exogenous agents but which can provide molecular and cellular information. We can derive information on tissue composition by (i) imaging different nuclei, especially sodium (ii) exploiting chemical shift differences as in MRS (iii) exploiting specific relaxation mechanisms (iv) exploiting tissue differences in the exchange rates of molecular species such as amides or hydroxyls and (v) differences in susceptibility. The increased signal strength at higher fields enables higher resolution images to be acquired, along with increased sensitivity to detecting subtle effects caused by molecular changes in tissues. Copyright © 2016 Elsevier Inc. All rights reserved.

  17. Electronic structure and spectroscopic properties of mononuclear manganese(III) Schiff base complexes: a systematic study on [Mn(acen)X] complexes by EPR, UV/vis, and MCD spectroscopy (X = Hal, NCS).

    Science.gov (United States)

    Westphal, Anne; Klinkebiel, Arne; Berends, Hans-Martin; Broda, Henning; Kurz, Philipp; Tuczek, Felix

    2013-03-04

    The manganese(III) Schiff base complexes [Mn(acen)X] (H2acen: N,N'-ethylenebis(acetylacetone)imine, X: I(-), Br(-), Cl(-), NCS(-)) are considered as model systems for a combined study of the electronic structure using vibrational, UV/vis absorption, parallel-mode electron paramagnetic resonance (EPR) and low-temperature magnetic circular dichroism (MCD) spectroscopy. By variation of the co-ligand X, the influence of the axial ligand field within a given square-pyramidal coordination geometry on the UV/vis, EPR, and MCD spectra of the title compounds is investigated. Between 25000 and 35000 cm(-1), the low-temperature MCD spectra are dominated by two very intense, oppositely signed pseudo-A terms, referred to as "double pseudo-A terms", which change their signs within the [Mn(acen)X] series dependent on the axial ligand X. Based on molecular orbital (MO) and symmetry considerations, these features are assigned to π(n.b.)(s, a) → yz, z(2) ligand-to-metal charge transfer transitions. The individual MCD signs are directly determined from the calculated MOs of the [Mn(acen)X] complexes. The observed sign change is explained by an inversion of symmetry among the π(n.b.)(s, a) donor orbitals which leads to an interchange of the positive and negative pseudo-A terms constituting the "double pseudo-A term".

  18. Effect of microwave power on EPR spectra of natural and synthetic dental biocompatible materials

    Directory of Open Access Journals (Sweden)

    Adamczyk Jakub

    2015-07-01

    Full Text Available Paramagnetic centers in the two exemplary synthetic and natural dental biocompatible materials applied in implantology were examined by the use of an X-band (9.3 GHz electron paramagnetic resonance (EPR spectroscopy. The EPR spectra were measured in the range of microwave power 2.2–70 mW. The aims of this work were to compare paramagnetic centers concentrations in different dental biocompatible materials and to determine the effect of microwave power on parameters of their EPR spectra. It is the very first and innovatory examination of paramagnetic centers in these materials. It was pointed out that paramagnetic centers existed in both natural (~1018 spin/g and synthetic (~1019 spin/g dental biocompatible materials, but the lower free radical concentration characterized the natural sample. Continuous microwave saturation of EPR spectra indicated that faster spin-lattice relaxation processes existed in synthetic dental biocompatible materials than in natural material. Linewidths (ΔBpp of the EPR spectra of the natural dental material slightly increased for the higher microwave powers. Such effect was not observed for the synthetic material. The broad EPR lines (ΔBpp: 2.4 mT, 3.9 mT, were measured for the natural and synthetic dental materials, respectively. Probably strong dipolar interactions between paramagnetic centers in the studied samples may be responsible for their line broadening. EPR spectroscopy is the useful experimental method in the examination of paramagnetic centers in dental biocompatible materials.

  19. Radiolysis of proteins in the solid state: an approach by EPR and product analysis.

    Science.gov (United States)

    Terryn, Hélène; Deridder, Véronique; Sicard-Roselli, Cécile; Tilquin, Bernard; Houée-Levin, Chantal

    2005-05-01

    Radio-induced modifications in proteins have been studied using several techniques. Electron paramagnetic resonance (EPR) was used to characterize free radicals, and analysis methods (high-performance liquid chromatography, capillary electrophoresis) were employed to visualize final degraded forms. Whereas EPR indicates that perthiyl radicals are formed, analysis does not detect any compound in which such bonds would be broken. Since EPR signals decay with time, it is concluded that rearrangements occur at subsequent steps, in which the solvent used during the analysis might play a role.

  20. Magnetic model for Mn{sub 2}La{sub 2} developed from spectroscopic studies with inelastic neutron scattering and frequency-domain Fourier-transform THz EPR

    Energy Technology Data Exchange (ETDEWEB)

    Milazzo, R.; Nehrkorn, J.; Stuiber, S.; Waldmann, O. [Physikalisches Institut, Universitaet Freiburg (Germany); Akhtar, M.N.; Lan, Y.; Powell, A.K. [Institut fuer Anorganische Chemie, Universitaet Karlsruhe, KIT (Germany); Mutka, H. [Institut Laue Langevin, Grenoble (France); Dreiser, J. [Swiss Light Source, Paul Scherrer Institut (Switzerland); Schnegg, A. [Helmholtz-Zentrum Berlin, Institut fuer Silizium-Photovoltaik (Germany); Holldack, K. [Helmholtz-Zentrum Berlin, Institut fuer Synchrotonstrahlung (Germany)

    2011-07-01

    Molecular nanomagnets which contain several magnetic centers with a large single-ion magnetic anisotropy are of general interest, because they could lead to interesting phenomena such as single-molecule magnet (SMM) behavior. We performed spectroscopic experiments on Mn{sub 2}La{sub 2} using inelastic neutron scattering at the direct time-of-flight disc chopper spectrometer IN5 at ILL and the newly developed frequency-domain Fourier-transform THz EPR at BESSY. Based on the experimental results a magnetic model has been developed. It is discussed why no SMM behavior was observed, even though Mn{sub 2}La{sub 2} exhibits a remarkably high energy barrier of about 37 K for spin relaxation. Furthermore our results can be applied to analogous clusters, with the diamagnetic La{sup I}II ions replaced by magnetic rare earth ions.

  1. Kinetics of chromium(V) formation and reduction in fronds of the duckweed Spirodela polyrhiza--a low frequency EPR study.

    Science.gov (United States)

    Appenroth, K J; Bischoff, M; Gabryś, H; Stoeckel, J; Swartz, H M; Walczak, T; Winnefeld, K

    2000-02-01

    The uptake of chromate by the duckweed Spirodela polyrhiza was investigated with atomic absorption spectroscopy and the reduction of Cr(VI) to Cr(V) was measured using low frequency EPR spectroscopy. The biphasic kinetics of the uptake was fitted to parameters of a proposed kinetic model. Another model was developed to simulate chromate reduction. The first step of chromate reduction was found to be much faster than the uptake of Cr(VI) from the free space. Most probably, this step occurs already in the cell wall or on the cell membrane surface. Further reduction of Cr(V) to Cr(III) was estimated to be slower. The disappearance of the Cr(V) signal, following transfer of the plants into a Cr-free solution, lasted several tens of hours; the kinetics was mono- or biexponential depending on the length of Cr loading. The rate constants for Cr reduction in living plants were determined for the first time.

  2. Nitrosyl hemoglobins: EPR above 80 K

    Energy Technology Data Exchange (ETDEWEB)

    Wajnberg, E.; Bemski, G.; El-Jaick, L.J.; Alves, O.C.

    1995-03-01

    The EPR spectra of nitrosyl hemoglobin and myoglobin in different conditions (native, denatured and lyophilized), as well as of hematin-NO were obtained in the temperature range of 80 K-280 K. There is a substantial and reversible.decrease of the areas of the EPR spectra of all the hemoglobin samples above 150 K. The interpretation of the results implies the existence of two conformational states in thermal equilibrium only one of which is EPR detectable. Thermodynamical parameters are determined for the hexa and penta-coordinated cases. (author). 25 refs, 3 figs.

  3. Platinum species in the pores of NaX, NaY and NaA zeolites studied using EPR, XAS and FTIR spectroscopies.

    Science.gov (United States)

    Akdogan, Yasar; Vogt, Christina; Bauer, Matthias; Bertagnolli, Helmut; Giurgiu, Liviu; Roduner, Emil

    2008-05-28

    The results of X-band EPR, X-ray absorption and Fourier transform infrared spectroscopy on Pt(NH(3))(4)(2+) exchanged NaX, NaY and NaA zeolites reveal after oxygen calcination at 573 K that diamagnetic Pt(2+) is not the only product. Calcination provides Pt(3+) cations, but depending on the heating rate, the decomposition of amino groups during calcination also produces hydrogen that reduces Pt(3+) to Pt(2+) and Pt(+). NaX (Si/Al = 1.23) has a more negative framework charge than NaY (Si/Al = 2.31), so Pt(3+) can be stabilized only in NaX, whereas lower oxidation states of Pt such as Pt(+) can be stabilized in both, NaX and NaY, and neither of the paramagnetic Pt cations are stabilized in NaUSY (Si/Al = 3). The autoreduction process allows controlling the number of Pt(3+) and Pt(+) in the NaX zeolite by changing the calcination heating rate: a heating rate of 1.25 K min(-1) gives only Pt(+), but 0.5 K min(-1) gives a Pt(3+)/Pt(+) ratio close to 1. The structure of the support is also important for the synthesis of Pt species. While isolated paramagnetic Pt ions were stabilized in faujasite zeolites (NaX and NaY), a paramagnetic Pt dimer was obtained in a Linde type A zeolite (LTA, Si/Al = 1) by applying the same preparation methods. The fraction of paramagnetic Pt species which were characterized by X-band EPR spectroscopy amounts to 2-18% of the total Pt in the zeolites, the remaining Pt must be diamagnetic.

  4. Homogeneity and EPR metrics for assessment of regular grids used in CW EPR powder simulations

    Science.gov (United States)

    Crăciun, Cora

    2014-08-01

    CW EPR powder spectra may be approximated numerically using a spherical grid and a Voronoi tessellation-based cubature. For a given spin system, the quality of simulated EPR spectra depends on the grid type, size, and orientation in the molecular frame. In previous work, the grids used in CW EPR powder simulations have been compared mainly from geometric perspective. However, some grids with similar homogeneity degree generate different quality simulated spectra. This paper evaluates the grids from EPR perspective, by defining two metrics depending on the spin system characteristics and the grid Voronoi tessellation. The first metric determines if the grid points are EPR-centred in their Voronoi cells, based on the resonance magnetic field variations inside these cells. The second metric verifies if the adjacent Voronoi cells of the tessellation are EPR-overlapping, by computing the common range of their resonance magnetic field intervals. Beside a series of well known regular grids, the paper investigates a modified ZCW grid and a Fibonacci spherical code, which are new in the context of EPR simulations. For the investigated grids, the EPR metrics bring more information than the homogeneity quantities and are better related to the grids’ EPR behaviour, for different spin system symmetries. The metrics’ efficiency and limits are finally verified for grids generated from the initial ones, by using the original or magnetic field-constraint variants of the Spherical Centroidal Voronoi Tessellation method.

  5. Orientation of the tetranuclear manganese cluster and tyrosine Z in the O(2)-evolving complex of photosystem II: An EPR study of the S(2)Y(Z)(*) state in oriented acetate-inhibited photosystem II membranes.

    Science.gov (United States)

    Lakshmi, K V; Eaton, S S; Eaton, G R; Brudvig, G W

    1999-09-28

    Inhibitory treatment by acetate, followed by illumination and rapid freezing, is known to trap the S(2)Y(Z)(*) state of the O(2)-evolving complex (OEC) in photosystem II (PS II). An EPR spectrum of this state exhibits broad split signals due to the interaction of the tyrosyl radical, Y(Z)(*), with the S = 1/2 S(2) state of the Mn(4) cluster. We present a novel approach to analyze S(2)Y(Z)(*) spectra of one-dimensionally (1-D) oriented acetate-inhibited PS II membranes to determine the magnitude and relative orientation of the S(2)Y(Z)(*) dipolar vector within the membrane. Although there exists a vast body of EPR data on isolated spins in oriented membrane sheets, the present study is the first of its kind on dipolar-coupled electron spin pairs in such systems. We demonstrate the feasibility of the technique and establish a rigorous treatment to account for the disorder present in partially oriented 1-D membrane preparations. We find that (i) the point-dipole distance between Y(Z)(*) and the Mn(4) cluster is 7.9 +/- 0.2 A, (ii) the angle between the interspin vector and the thylakoid membrane normal is 75 degrees, (iii) the g(z)()-axis of the Mn(4) cluster is 70 degrees away from the membrane normal and 35 degrees away from the interspin vector, and (iv) the exchange interaction between the two spins is -275 x 10(-)(4) cm(-)(1), which is antiferromagnetic. Due to the sensitivity of EPR line shapes of oriented spin-coupled pairs to the interspin distance, the present study imposes a tighter constraint on the Y(Z)-Mn(4) point-dipole distance than obtained from randomly oriented samples. The geometric constraints obtained from the 1-D oriented sample are combined with published models of the structure of Mn-depleted PS II to propose a location of the Mn(4) cluster. A structure in which Y(Z) is hydrogen bonded to a manganese-bound hydroxide ligand is consistent with available data and favors maximal orbital overlap between the two redox center that would facilitate

  6. Applications of EPR in radiation research

    CERN Document Server

    Lund, Anders

    2014-01-01

    Applications of EPR in Radiation Research is a multi-author contributed volume presented in eight themes: I. Elementary radiation processes (in situ and low temperature radiolysis, quantum solids); II: Solid state radiation chemistry (crystalline, amorphous and heterogeneous systems); III: Biochemistry, biophysics and biology applications (radicals in biomaterials, spin trapping, free-radical-induced DNA damage); IV: Materials science (polymeric and electronic materials, materials for treatment of nuclear waste, irradiated food); V: Radiation metrology (EPR-dosimetry, retrospective and medical

  7. N-hydroxyguanidines as new heme ligands: UV-visible, EPR, and resonance Raman studies of the interaction of various compounds bearing a C=NOH function with microperoxidase-8.

    Science.gov (United States)

    Lefevre-Groboillot, D; Dijols, S; Boucher, J L; Mahy, J P; Ricoux, R; Desbois, A; Zimmermann, J L; Mansuy, D

    2001-08-21

    Interaction between microperoxidase-8 (MP8), a water-soluble hemeprotein model, and a wide range of N-aryl and N-alkyl N'-hydroxyguanidines and related compounds has been investigated using UV-visible, EPR, and resonance Raman spectroscopies. All the N-hydroxyguanidines studied bind to the ferric form of MP8 with formation of stable low-spin iron(III) complexes characterized by absorption maxima at 405, 535, and 560 nm. The complex obtained with N-(4-methoxyphenyl) N'-hydroxyguanidine exhibits EPR g-values at 2.55, 2.26, and 1.86. The resonance Raman (RR) spectrum of this complex is also in agreement with an hexacoordinated low-spin iron(III) structure. The dissociation constants (K(s)) of the MP8 complexes with mono- and disubstituted N-hydroxyguanidines vary between 15 and 160 microM at pH 7.4. Amidoximes also form low-spin iron(III) complexes of MP8, although with much larger dissociation constants. Under the same conditions, ketoximes, aldoximes, methoxyguanidines, and guanidines completely fail to form such complexes with MP8. The K(s) values of the MP8-N-hydroxyguanidine complexes decrease as the pH of the solution is increased, and the affinity of the N-hydroxyguanidines toward MP8 increases with the pK(a) of these ligands. Altogether these results show that compounds involving a -C(NHR)=NOH moiety act as good ligands of MP8-Fe(III) with an affinity that depends on the electron-richness of this moiety. The analysis of the EPR spectrum of the MP8-N-hydroxyguanidine complexes according to Taylor's equations shows a strong axial distortion of the iron, typical of those observed for hexacoordinated heme-Fe(III) complexes with at least one pi donor axial ligand (HO(-), RO(-), or RS(-)). These data strongly suggest that N-hydroxyguanidines bind to MP8 iron via their oxygen atom after deprotonation or weakening of their O-H bond. It thus seems that N-hydroxyguanidines could constitute a new class of strong ligands for hemeproteins and iron(III)-porphyrins.

  8. Electronic, cyclic voltammetry, IR and EPR spectral studies of copper(II) complexes with 12-membered N 4, N 2O 2 and N 2S 2 donor macrocyclic ligands

    Science.gov (United States)

    Chandra, Sulekh; Kumar, Rajiv

    2005-01-01

    A new series of copper(II) complexes have been synthesized with macrocyclic ligands having three different donating atoms in the macrocyclic ring. It has been shown that the stereochemistry of complexes is dependent on the coordinated anions. These complexes are characterized by various physicochemical techniques, viz. elemental analysis, molar conductance, magnetic susceptibility measurements, IR, electronic, 1H NMR and EPR spectral studies. Cyclic voltammetric behavior of the complexes has also been discussed. The observed anisotropic g-values indicate that the chloro and acetato complexes are six-coordinate tetragonal. Whereas the sulfato and nitrato complexes are found to have five-coordinate square-pyramidal and four-coordinate square-planar geometry, respectively.

  9. Radicals as EPR probes of magnetization of gadolinium stearate Langmuir-Blodgett film

    DEFF Research Database (Denmark)

    Koksharov, Y.A.; Bykov, I.V.; Malakho, A.P.

    2002-01-01

    the Gd and Y stearate LB films. Placing the small BDPA crystal on the film surface we have found that for the Gd LB sample the effective g-value of the radical's resonance depends on the film orientation in respect to the external magnetic field direction. The relative shift of the EPR signal......In the present work we have applied the method of the EPR spin probes which allows performing simultaneously EPR and magnetization measurements to the investigation of magnetism of the Cid stearate Langmuir-Blodgett (LB) films. For this purpose we have prepared and studied by the EPR technique...... corresponded to the magnetization of the film along the field direction. Such effect has not been observed for the Y stearate LB film. The data obtained give an experimental proof for the room temperature. magnetic ordering in the! gadolinium stearate LB film....

  10. SimLabel: a graphical user interface to simulate continuous wave EPR spectra from site-directed spin labeling experiments.

    Science.gov (United States)

    Etienne, E; Le Breton, N; Martinho, M; Mileo, E; Belle, V

    2017-08-01

    Site-directed spin labeling (SDSL) combined with continuous wave electron paramagnetic resonance (cw EPR) spectroscopy is a powerful technique to reveal, at the residue level, structural transitions in proteins. SDSL-EPR is based on the selective grafting of a paramagnetic label on the protein under study, followed by cw EPR analysis. To extract valuable quantitative information from SDSL-EPR spectra and thus give reliable interpretation on biological system dynamics, numerical simulations of the spectra are required. Such spectral simulations can be carried out by coding in MATLAB using functions from the EasySpin toolbox. For non-expert users of MATLAB, this could be a complex task or even impede the use of such simulation tool. We developed a graphical user interface called SimLabel dedicated to run cw EPR spectra simulations particularly coming from SDSL-EPR experiments. Simlabel provides an intuitive way to visualize, simulate, and fit such cw EPR spectra. An example of SDSL-EPR spectra simulation concerning the study of an intrinsically disordered region undergoing a local induced folding is described and discussed. We believe that this new tool will help the users to rapidly obtain reliable simulated spectra and hence facilitate the interpretation of their results. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  11. Preparation and applicability of fresh fruit samples for the identification of radiation treatment by EPR

    Energy Technology Data Exchange (ETDEWEB)

    Yordanov, Nicola D. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)], E-mail: ndyepr@bas.bg; Aleksieva, Katerina [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)

    2009-03-15

    The results of electron paramagnetic resonance (EPR) study on fresh fruits (whole pulp of pears, apples, peaches, apricots, avocado, kiwi and mango) before and after gamma-irradiation are reported using two drying procedures before EPR investigation. In order to remove water from non-irradiated and irradiated samples of the first batch, the pulp of fresh fruits is pressed, and the solid residue is washed with alcohol and dried at room temperature. The fruits of the second batch are pressed and dried in a standard laboratory oven at 40 deg. C. The results obtained with both drying procedures are compared. All samples under study show a singlet EPR line with g=2.0048{+-}0.0005 before irradiation. Irradiation gives rise to typical 'cellulose-like' EPR spectrum featuring one intensive line with g=2.0048{+-}0.0005 and two very weak satellite lines situated 3 mT at left and right of the central line. Only mango samples show a singlet line after irradiation. The fading kinetics of radiation-induced EPR signal is studied for a period of 50 days after irradiation. When the irradiated fruit samples are stored in their natural state and dried just before each EPR measurement, the satellite lines are measurable for less than 17 days of storage. Irradiated fruit samples, when stored dried, lose for 50 days ca. 40% of their radiation-induced radicals if treated with alcohol or ca. 70% if dried in an oven. The reported results unambiguously show that the presence of the satellite lines in the EPR spectra could be used for identification of radiation processing of fresh fruits, thus extending the validity of European Protocol EN 1787 (2000). Foodstuffs-Detection of Irradiated Food Containing Cellulose by EPR Spectroscopy. European Committee for Standardisation. Brussels for dry herbs.

  12. Well-Known Mediators of Selective Oxidation with Unknown Electronic Structure: Metal-Free Generation and EPR Study of Imide-N-oxyl Radicals.

    Science.gov (United States)

    Krylov, Igor B; Kompanets, Mykhailo O; Novikova, Katerina V; Opeida, Iosip O; Kushch, Olga V; Shelimov, Boris N; Nikishin, Gennady I; Levitsky, Dmitri O; Terent'ev, Alexander O

    2016-01-14

    Nitroxyl radicals are widely used in chemistry, materials sciences, and biology. Imide-N-oxyl radicals are subclass of unique nitroxyl radicals that proved to be useful catalysts and mediators of selective oxidation and CH-functionalization. An efficient metal-free method was developed for the generation of imide-N-oxyl radicals from N-hydroxyimides at room temperature by the reaction with (diacetoxyiodo)benzene. The method allows for the production of high concentrations of free radicals and provides high resolution of their EPR spectra exhibiting the superhyperfine structure from benzene ring protons distant from the radical center. An analysis of the spectra shows that, regardless of the electronic effects of the substituents in the benzene ring, the superhyperfine coupling constant of an unpaired electron with the distant protons at positions 4 and 5 of the aromatic system is substantially greater than that with the protons at positions 3 and 6 that are closer to the N-oxyl radical center. This is indicative of an unusual character of the spin density distribution of the unpaired electron in substituted phthalimide-N-oxyl radicals. Understanding of the nature of the electron density distribution in imide-N-oxyl radicals may be useful for the development of commercial mediators of oxidation based on N-hydroxyimides.

  13. EPR = ER, scattering amplitude and entanglement entropy change

    Energy Technology Data Exchange (ETDEWEB)

    Seki, Shigenori, E-mail: sigenori@hanyang.ac.kr [Research Institute for Natural Science, Hanyang University, Seoul 133-791 (Korea, Republic of); Sin, Sang-Jin, E-mail: sjsin@hanyang.ac.kr [Department of Physics, Hanyang University, Seoul 133-791 (Korea, Republic of)

    2014-07-30

    We study the causal structure of the minimal surface of the four-gluon scattering, and find a world-sheet wormhole parametrized by Mandelstam variables, thereby demonstrate the EPR = ER relation for gluon scattering. We also propose that scattering amplitude is the change of the entanglement entropy by generalizing the holographic entanglement entropy of Ryu–Takayanagi to the case where two regions are divided in space–time.

  14. Identification and dose assessment of irradiated cumin by EPR spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Abdel-Fattah, A.A. E-mail: atef_fattah@hotmail.com

    2002-03-01

    The use of electron paramagnetic resonance spectroscopy to accurately distinguish irradiated from unirradiated cumin and assess the absorbed dose to radiation-processed cumin is examined. The results were successful for identifying both irradiated and unirradiated cumin. Additive reirradiation of the cumin produces a reproducible dose response function, which can be used to assess the initial dose by back-extrapolation. Third-degree polynomial and exponential functions were used to fit the EPR signal/dose curves. It was found that the 3rd degree polynomial function provides satisfactory results without correction for decay of free radicals. The exponential fit to the data cannot be used without correction of decay of free radicals. The stability of the radiation-induced EPR signal of irradiated cumin was studied over a storage period of 6 months. The additive reirradiation of some samples was carried out at different storage times (10, 20 and 30 days) after initial irradiation.

  15. EPR spectra induced by gamma-irradiation of some dry medical herbs

    Science.gov (United States)

    Yordanov, N. D.; Lagunov, O.; Dimov, K.

    2009-04-01

    The radiation-induced EPR spectra in some medical herbs are reported. The samples studied are: (i) leaves of nettle, common balm, peppermint and thyme; (ii) stalks of common balm, thyme, milfoil, yarrow and marigold; (iii) blossoms of yarrow and marigold; (iv) blossoms and leaves of hawthorn and tutsan; and (v) roots of common valerian, nettle, elecampane (black and white), restharrows and carlina. Before irradiation all samples exhibit one weak anisotropic singlet EPR line with effective g-value of 2.0050±0.0002. The radiation-induced spectra fall into three groups. EPR spectra of irradiated blossoms of yarrow and marigold, stalks of common balm, thyme, tutsan and yarrow as well as roots of common valerian, nettle and elecampane (black and white) show "cellulose-like" EPR spectrum typical for irradiated plants. It is characterized by one intense central line with g=2.0050±0.0005 and two weak satellite lines situated ca. 30 G left and right to it. EPR spectra of gamma-irradiated restharrows and carlina are complex. They may be represented by one triplet corresponding to the "cellulose-like" EPR spectrum, one relatively intense singlet, situated in the center of the spectrum, and five weak additional satellite lines left and right to the center. The last spectrum was assigned as "carbohydrate-like" type. Only one intense EPR singlet with g=2.0048±0.0005 was recorded after irradiation of leaves of nettle and common balm. The lifetime of the radiation-induced EPR spectra was followed for a period of 3 months.

  16. EPR spectra induced by gamma-irradiation of some dry medical herbs

    Energy Technology Data Exchange (ETDEWEB)

    Yordanov, N.D. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)], E-mail: ndyepr@bas.bg; Lagunov, O. [Laboratory EPR, Institute of Catalysis, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Dimov, K. [Institute of Cryobiology and Food technology, 1162 Sofia (Bulgaria)

    2009-04-15

    The radiation-induced EPR spectra in some medical herbs are reported. The samples studied are: (i) leaves of nettle, common balm, peppermint and thyme; (ii) stalks of common balm, thyme, milfoil, yarrow and marigold; (iii) blossoms of yarrow and marigold; (iv) blossoms and leaves of hawthorn and tutsan; and (v) roots of common valerian, nettle, elecampane (black and white), restharrows and carlina. Before irradiation all samples exhibit one weak anisotropic singlet EPR line with effective g-value of 2.0050{+-}0.0002. The radiation-induced spectra fall into three groups. EPR spectra of irradiated blossoms of yarrow and marigold, stalks of common balm, thyme, tutsan and yarrow as well as roots of common valerian, nettle and elecampane (black and white) show 'cellulose-like' EPR spectrum typical for irradiated plants. It is characterized by one intense central line with g=2.0050{+-}0.0005 and two weak satellite lines situated ca. 30 G left and right to it. EPR spectra of gamma-irradiated restharrows and carlina are complex. They may be represented by one triplet corresponding to the 'cellulose-like' EPR spectrum, one relatively intense singlet, situated in the center of the spectrum, and five weak additional satellite lines left and right to the center. The last spectrum was assigned as 'carbohydrate-like' type. Only one intense EPR singlet with g=2.0048{+-}0.0005 was recorded after irradiation of leaves of nettle and common balm. The lifetime of the radiation-induced EPR spectra was followed for a period of 3 months.

  17. Superconductivity and magnetism in the oxypnictides: high field ESR and {mu}SR studies of (La,Gd)FeAsO{sub 1-x}F{sub x} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Muranyi, Ferenc [Physics Institute, University of Zuerich (Switzerland); IFW Dresden (Germany); Alfonsov, Alexey; Kataev, Vladislav; Koehler, Anke; Werner, Jochen; Behr, Guenter; Leps, Norman; Klingeler, Ruediger; Kondrat, Agnieszka; Hess, Christian; Buechner, Bernd [IFW Dresden (Germany); Khasanov, Rustem; Luetkens, Hubertus [Paul Scherrer Institut, Villigen PSI (Switzerland); Klaus, Hans-Henning [IFP, TU Dresden (Germany)

    2009-07-01

    The discovery of a new class of superconducting materials, ReFeAsO{sub 1-x}F{sub x}, stirred up the scientific community. Here we report the Gd{sup 3+} high field ESR study of differently doped (La,Gd)FeAsO{sub 1-x}F{sub x} compounds. In lightly Gd-doped LaFeAsO samples the SDW transition yields line-broadening at the transition temperature, the SDW transition is then suppressed upon F-doping. In the dense compound, GdFeAsO, with SDW transition around 140 K, the Gd-ESR was also studied. With 15% F-doping superconductivity appears at {proportional_to} 21 K. The SDW and SC transitions are clearly seen in ESR and in {mu} SR as well. Surprisingly the reminiscence of the SDW transition of the undoped material (GdFeAsO) was identified in the doped (15% F) compound at lower temperature ({proportional_to} 80 K). This indicates the importance of the the interplay between superconductivity and magnetism in oxypnictides.

  18. Clinical electron paramagnetic resonance (EPR) oximetry using India ink.

    Science.gov (United States)

    Williams, Benjamin B; Khan, Nadeem; Zaki, Bassem; Hartford, Alan; Ernstoff, Marc S; Swartz, Harold M

    2010-01-01

    Electron paramagnetic resonance (EPR) oximetry can be used to provide direct absolute measurements of pO(2) in living tissue using India ink as an O(2) reporter. In vivo measurements are made using low frequency (1.2 GHz) EPR spectroscopy and surface loop resonators, which enable measurements to be made at superficial sites through a non-invasive (after placing the ink in the tissues) and repeatable measurement procedure. Ongoing EPR oximetry studies in human subjects include measurement of subcutaneous pO(2) in the feet of healthy volunteers to develop procedures that could be used in the treatment of peripheral vascular disease and oximetry in tumors during courses of radiation and chemotherapy, to follow pO(2) so oxygen-dependent therapies can be optimized. In each case, we aim to provide quantitative measurements of tissue pO(2) which will aid physicians in the characterization of disease status and the effects of therapeutic measures, so that treatments can be applied with optimal effectiveness by taking into account the oxygen-dependent aspects of the therapy. The overall goal is to enhance clinical outcomes. Oximetry measurements of subcutaneous tissue on dorsal and plantar foot surfaces have been made in 9 volunteers, with measurements ongoing for each and the longest set of measurements carried out successfully over the last 5 years. Tumor oximetry measurements have been performed in tumor tissues of 10 patients during courses of radiation and chemotherapy. Tumor types include melanoma, basal cell, soft tissue sarcoma, and lymphoma, and measurement sites have ranged from the feet to the scalp. These studies demonstrate the feasibility of EPR oximetry in a clinical setting and the potential for more widespread use in the treatment of these and other oxygen-dependent diseases.

  19. High-field/high-pressure ESR.

    Science.gov (United States)

    Sakurai, T; Okubo, S; Ohta, H

    2017-07-01

    We present a historical review of high-pressure ESR systems with emphasis on our recent development of a high-pressure, high-field, multi-frequency ESR system. Until 2000, the X-band system was almost established using a resonator filled with dielectric materials or a combination of the anvil cell and dielectric resonators. Recent developments have shifted from that in the low-frequency region, such as X-band, to that in multi-frequency region. High-pressure, high-field, multi-frequency ESR systems are classified into two types. First are the systems that use a vector network analyzer or a quasi-optical bridge, which have high sensitivity but a limited frequency region; the second are like our system, which has a very broad frequency region covering the THz region, but lower sensitivity. We will demonstrate the usefulness of our high-pressure ESR system, in addition to its experimental limitations. We also discuss the recent progress of our system and future plans. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. EPR analysis and DFT computations of a series of polynitroxides.

    Science.gov (United States)

    Ottaviani, M Francesca; Modelli, Alberto; Zeika, Olaf; Jockusch, Steffen; Moscatelli, Alberto; Turro, Nicholas J

    2012-01-12

    Polynitroxides with varying numbers of nitroxide groups (one to four) derived from different aromatic core structures show intramolecular electron spin-spin coupling. The scope of this study is to establish an easy methodology for extracting structural, dynamical, and thermodynamical information from the EPR spectra of these polynitroxides which might find use as spin probes in complex systems, such as biological and host/guest systems, and as polarizing agents in dynamic nuclear polarization (DNP) applications. Density functional theory (DFT) calculations at the B3LYP/6-31G(d) level provided information on the structural details such as bond lengths and angles in the gas phase, which were compared with the single crystal X-ray diffraction data in the solid state. Polarizable continuum model (PCM) calculations were performed to account for solvent influences. The electron paramagnetic resonance (EPR) spectra of the polynitroxides in chloroform were analyzed in detail to extract information such as the percentages of different conformers, hyperfine coupling constants a, and rotational correlation times τ(c). The temperature dependence on the line shape of the EPR spectra gave thermodynamic parameters ΔH and ΔS for the conformational transitions. These parameters were found to depend on the number and relative positions of the nitroxide and other polar groups.

  1. EPR (Electronic Patient Record Laboratory - Simulated Environment to Learn about a Hospital EPR System

    Directory of Open Access Journals (Sweden)

    Kazuko Yamamoto

    2011-03-01

    Full Text Available The “Electronic Patient Record (EPR Laboratory” is a computer based self-learning system developed for students to acquire practical skills and knowledge required to deal with EPRs. The system is designed to supplement conventional lectures on health information systems given as part of our undergraduate curriculum. Using the Laboratory, the students may learn not only operations of EPR systems but also the subjects connected with patient information handling, including privacy, security and health information ethics. The EPR Laboratory is composed of an eLearing system and an EPR system. The learning materials are arranged in units in the eLearning system, and in each unit, the student learns the materials and the EPR operations through practice. Tests are given at each end of unit, and if a student failed a test, the system shows which questions were answered incorrectly and indicates which parts of the unit he/she should review. For this purpose, we introduced a structure to the learning materials based on an information model. In this paper, the overview of the system, the simulated environment to learn patient flow, information flow and hospital workflow, fundamental EPR operations, and structured learning materials for the test and review cycle are described.

  2. Investigation of radical locations in various sesame seeds by CW EPR and 9-GHz EPR imaging.

    Science.gov (United States)

    Nakagawa, K; Hara, H

    2015-01-01

    We investigated the location of radical in various sesame seeds using continuous-wave (CW) electron paramagnetic resonance (EPR) and 9-GHz EPR imaging. CW EPR detected persistent radicals (single line) for various sesame seeds. The EPR linewidth of black sesame seeds was narrower than that of the irradiated white sesame seeds. A very small signal was detected for the white sesame seeds. Two-dimensional (2D) imaging using a 9-GHz EPR imager showed that radical locations vary for various sesame seeds. The paramagnetic species in black sesame seeds were located on the seed coat (skin) and in the hilum region. The signal with the highest intensity was obtained from the hilum part. A very low-intensity image was observed for the white sesame seeds. In addition, the 2D imaging of the irradiated white sesame seeds showed that free radicals were located throughout the entire seed. For the first time, CW EPR and 9-GHz EPR imaging showed the exact location of radical species in various sesame seeds.

  3. Computational and instrumental methods in EPR

    CERN Document Server

    Bender, Christopher J

    2006-01-01

    Computational and Instrumental Methods in EPR Prof. Bender, Fordham University Prof. Lawrence J. Berliner, University of Denver Electron magnetic resonance has been greatly facilitated by the introduction of advances in instrumentation and better computational tools, such as the increasingly widespread use of the density matrix formalism. This volume is devoted to both instrumentation and computation aspects of EPR, while addressing applications such as spin relaxation time measurements, the measurement of hyperfine interaction parameters, and the recovery of Mn(II) spin Hamiltonian parameters via spectral simulation. Key features: Microwave Amplitude Modulation Technique to Measure Spin-Lattice (T1) and Spin-Spin (T2) Relaxation Times Improvement in the Measurement of Spin-Lattice Relaxation Time in Electron Paramagnetic Resonance Quantitative Measurement of Magnetic Hyperfine Parameters and the Physical Organic Chemistry of Supramolecular Systems New Methods of Simulation of Mn(II) EPR Spectra: Single Cryst...

  4. High-resolution T{sub 2}-weighted cervical cancer imaging: a feasibility study on ultra-high-field 7.0-T MRI with an endorectal monopole antenna

    Energy Technology Data Exchange (ETDEWEB)

    Hoogendam, Jacob P.; Verheijen, Rene H.M.; Zweemer, Ronald P. [University Medical Centre Utrecht, Department of Gynaecological Oncology, UMC Utrecht Cancer Centre, PO Box 85500, Utrecht (Netherlands); Kalleveen, Irene M.L.; Castro, Catalina S.A. de; Raaijmakers, Alexander J.E.; Bosch, Maurice A.A.J. van den; Klomp, Dennis W.J.; Veldhuis, Wouter B. [University Medical Centre Utrecht, Department of Radiology, Utrecht (Netherlands)

    2017-03-15

    We studied the feasibility of high-resolution T{sub 2}-weighted cervical cancer imaging on an ultra-high-field 7.0-T magnetic resonance imaging (MRI) system using an endorectal antenna of 4.7-mm thickness. A feasibility study on 20 stage IB1-IIB cervical cancer patients was conducted. All underwent pre-treatment 1.5-T MRI. At 7.0-T MRI, an external transmit/receive array with seven dipole antennae and a single endorectal monopole receive antenna were used. Discomfort levels were assessed. Following individualised phase-based B{sub 1} {sup +} shimming, T{sub 2}-weighted turbo spin echo sequences were completed. Patients had stage IB1 (n = 9), IB2 (n = 4), IIA1 (n = 1) or IIB (n = 6) cervical cancer. Discomfort (ten-point scale) was minimal at placement and removal of the endorectal antenna with a median score of 1 (range, 0-5) and 0 (range, 0-2) respectively. Its use did not result in adverse events or pre-term session discontinuation. To demonstrate feasibility, T{sub 2}-weighted acquisitions from 7.0-T MRI are presented in comparison to 1.5-T MRI. Artefacts on 7.0-T MRI were due to motion, locally destructive B{sub 1} interference, excessive B{sub 1} under the external antennae and SENSE reconstruction. High-resolution T{sub 2}-weighted 7.0-T MRI of stage IB1-IIB cervical cancer is feasible. The addition of an endorectal antenna is well tolerated by patients. (orig.)

  5. Mast-sipping in EPR trademark plants

    Energy Technology Data Exchange (ETDEWEB)

    Langenberger, Jan [AREVA NP GmbH, Erlangen (Germany). Fuel Service; Schienbein, Marcel; Geier, Roland [AREVA NP GmbH, Erlangen (Germany). Radiochemical Lab.

    2010-05-15

    For more than 20 years, AREVA applies and develops different sipping techniques to identify fuel assemblies with leaking fuel rods. For the EPR trademark reactors a Mast Sipping System with newest developments will be implemented considering radiation protection and latest standards requirements. The innovative EPR trademark Sipping System differs from previous systems in many ways. One of the main innovations is that all the necessary processes of the Sipping system have been fully digitized. Second, several ALARA design modifications have been implemented to meet the current radiation protection requirements. An additional implementable multilingual assistance program facilitates the handling of the system and helps to prevent incorrect operation. (orig.)

  6. Identification of irradiated crab using EPR

    Energy Technology Data Exchange (ETDEWEB)

    Maghraby, A. [Radiation Dosimetry Department, National Institute for Standards (NIS), Ministry of Scientific Research, Haram, 12211- Giza, P.O. Box: 136 (Egypt)]. E-mail: maghrabism@yahoo.com

    2007-02-15

    EPR spectroscopy is a fast and powerful technique for the identification of irradiated food. Crab exoskeleton was divided into six parts: dactyl, cheliped, carapace, apron, swimming legs, and walking legs. Samples of the exoskeleton were prepared and irradiated to Cs-137 gamma radiation in the range (1.156-5.365 kGy). EPR spectra of unirradiated as well as irradiated samples were recorded and analyzed. Response to gamma radiation was plotted for each part of the exoskeleton, dactyl was found to be the most sensitive part, followed by the apron (38%), cheliped (37%), walking legs (30%), swimming legs (24%), and carapace (21%) relative to the dactyl response.

  7. TL and EPR dating: some applications

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, S. [Institute of Physics, University of Sao Paulo, Sao Paulo (Brazil)

    2006-07-01

    The intensity of thermoluminescence light emitted by a crystal is a function of radiation dose. The number of defects or of radicals in a crystal or organic substances is also a function of radiation dose. Since such defects or radicals present EPR signals, the EPR intensity is also a function of radiation dose. These facts are basis for radiation dosimetry and can be applied in dating of archaeological potteries or other materials, as well as in dating geological substances such as sediments, caves speleothemes, animal teeth and bones. Recent investigation on sensitized quartz based dosimeters and dating calcite covering ancient wall painting to find early settlers in Brazil will be presented. (Author)

  8. High field MRI in the diagnosis of multiple sclerosis: high field-high yield?

    Energy Technology Data Exchange (ETDEWEB)

    Wattjes, Mike P.; Barkhof, Frederik [VU University Medical Center, MS Center Amsterdam, Department of Radiology, Amsterdam (Netherlands)

    2009-05-15

    Following the approval of the U.S. Food and Drug Administration (FDA), high field magnetic resonance imaging (MRI) has been increasingly incorporated into the clinical setting. Especially in the field of neuroimaging, the number of high field MRI applications has been increased dramatically. Taking advantage on increased signal-to-noise ratio (SNR) and chemical shift, higher magnetic field strengths offer new perspectives particularly in brain imaging and also challenges in terms of several technical and physical consequences. Over the past few years, many applications of high field MRI in patients with suspected and definite multiple sclerosis (MS) have been reported including conventional and quantitative MRI methods. Conventional pulse sequences at 3 T offers higher lesion detection rates when compared to 1.5 T, particularly in anatomic regions which are important for the diagnosis of patients with MS. MR spectroscopy at 3 T is characterized by an improved spectral resolution due to increased chemical shift allowing a better quantification of metabolites. It detects significant axonal damage already in patients presenting with clinically isolated syndromes and can quantify metabolites of special interest such as glutamate which is technically difficult to quantify at lower field strengths. Furthermore, the higher susceptibility and SNR offer advantages in the field of functional MRI and diffusion tensor imaging. The recently introduced new generation of ultra-high field systems beyond 3 T allows scanning in submillimeter resolution and gives new insights into in vivo MS pathology on MRI. The objectives of this article are to review the current knowledge and level of evidence concerning the application of high field MRI in MS and to give some ideas of research perspectives in the future. (orig.)

  9. EPR-dosimetry of ionizing radiation

    Science.gov (United States)

    Popova, Mariia; Vakhnin, Dmitrii; Tyshchenko, Igor

    2017-09-01

    This article discusses the problems that arise during the radiation sterilization of medical products. It is propose the solution based on alanine EPR-dosimetry. The parameters of spectrometer and methods of absorbed dose calculation are given. In addition, the problems that arise during heavy particles irradiation are investigated.

  10. The EPR Paradox: Einstein Scrutinises Quantum Mechanics

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 5; Issue 4. The EPR Paradox: Einstein Scrutinises Quantum Mechanics. Arvind. General Article Volume 5 Issue 4 April 2000 pp 28-36. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/005/04/0028-0036 ...

  11. EPR spin trapping of protein radicals

    DEFF Research Database (Denmark)

    Davies, Michael Jonathan; Hawkins, Clare Louise

    2004-01-01

    Electron paramagnetic resonance (EPR) spin trapping was originally developed to aid the detection of low-molecular-mass radicals formed in chemical systems. It has subsequently found widespread use in biology and medicine for the direct detection of radical species formed during oxidative stress...

  12. Single crystal EPR study of the dinuclear Cu(II) complex [Cu(tda)(phen)](2)·H(2)tda (tda = thiodiacetate, phen = phenanthroline): influence of weak interdimeric magnetic interactions.

    Science.gov (United States)

    Neuman, Nicolás I; Perec, Mireille; González, Pablo J; Passeggi, Mario C G; Rizzi, Alberto C; Brondino, Carlos D

    2010-12-23

    We report powder and single crystal EPR measurements of [Cu(tda)(phen)](2)·H(2)tda (tda = thiodiacetate, phen = phenanthroline) at 9.7 GHz. This compound consists of centrosymmetric copper(II) ion dimers, weakly ferromagnetically exchange-coupled (J = +3.2 cm(-1)), in which the dimeric units are linked by hydrophobic chemical paths involving the phen molecules. EPR revealed that the triplet spectra are collapsed by interdimeric exchange interactions mediated by that chemical path. Analysis and simulation of the single crystal EPR spectra were performed using Anderson's exchange narrowing model, together with statistical arguments. This approach allowed us to interpret the spectra modulated by the interdimeric interactions in situations of weak, intermediate, and strong exchange. We evaluated an interdimeric exchange constant J' = 0.0070(3) cm(-1), indicating that hydrophobic paths can transmit weak exchange interactions between centers at relatively long distances of the order of ∼10 Å.

  13. Identification of slow relaxing spin components by pulse EPR techniques in graphene-related materials

    Directory of Open Access Journals (Sweden)

    Antonio Barbon

    2017-01-01

    Full Text Available Electron Paramagnetic Resonance (EPR is a powerful technique that is suitable to study graphene-related materials. The challenging ability requested to the spectroscopy is its capability to resolve the variety of structures, relatively similar, that are obtained in materials produced through different methods, but that also coexist inside a single sample. In general, because of the intrinsic inhomogeneity of the samples, the EPR spectra are therefore a superposition of spectra coming from different structures. We show that by pulse EPR techniques (echo-detected EPR, ESEEM and Mims ENDOR we can identify and characterize species with slow spin relaxing properties. These species are generally called molecular states, and are likely small pieces of graphenic structures of limited dimensions, thus conveniently described by a molecular approach. We have studied commercial reduced graphene oxide and chemically exfoliated graphite, which are characterized by different EPR spectra. Hyperfine spectroscopies enabled us to characterize the molecular components of the different materials, especially in terms of the interaction of the unpaired electrons with protons (number of protons and hyperfine coupling constants. We also obtained useful precious information about extent of delocalization of the molecular states.

  14. A special JMR issue: Methodological advances in EPR spectroscopy and imaging

    Science.gov (United States)

    2017-07-01

    Since about five decades, EPR spectroscopy provides important insights into the electronic structure of metalloproteins and transition-metal based catalysts. Somewhat later this spectroscopy was also applied to the study of electron transfer processes, often in radical enzymes. The study of diamagnetic proteins and nucleic acids with site-directed spin labeling (SDSL) techniques became really popular in the 1990s and early in the new millennium. The same applies to applications of pulsed EPR techniques to metalloproteins, although the pioneering work in this field by Mims and Peisach dates back to the early 1970s. Pulsed dipolar spectroscopy for the measurement of distance distributions in the nanometer range has become the major EPR-based tool in structural biology during the past 15 years and is still expanding its scope. EPR (or ESR) imaging may appear to be overshadowed by (nuclear) MRI, as it has not yet found clinical application. However, development of EPR-based imaging modalities has recently gained much momentum as they can provide information that is inaccessible by any established imaging technology.

  15. EPR, UV-Visible, and Near-Infrared Spectroscopic Characterization of Dolomite

    Directory of Open Access Journals (Sweden)

    S. Lakshmi Reddy

    2008-01-01

    Full Text Available Dolomite mineral samples having white and light green colors of Indian origin have been characterized by EPR, optical, and NIR spectroscopy. The optical spectrum exhibits a number of electronic bands due to presence of Fe(III ions in the mineral. From EPR studies, the parameters of g for Fe(III and g,A, and D for Mn(II are evaluated and the data confirm that the ions are in distorted octahedron. Optical absorption studies reveal that Fe(III is in distorted octahedron. The bands in NIR spectra are due to the overtones and combinations of water molecules. Thus EPR and optical absorption spectral studies have proven useful for the study of the solid state chemistry of dolomite.

  16. High field superconductor development and understanding

    Energy Technology Data Exchange (ETDEWEB)

    Larbalestier, David C. [Florida State Univ., Tallahassee, FL (United States); Lee, Peter J. [Florida State Univ., Tallahassee, FL (United States); Tarantini, Chiara [Florida State Univ., Tallahassee, FL (United States)

    2014-09-28

    All present circular accelerators use superconducting magnets to bend and to focus the particle beams. The most powerful of these machines is the large hadron collider (LHC) at CERN. The main ring dipole magnets of the LHC are made from Nb-Ti but, as the machine is upgraded to higher luminosity, more powerful magnets made of Nb3Sn will be required. Our work addresses how to make the Nb3Sn conductors more effective and more suitable for use in the LHC. The most important property of the superconducting conductor used for an accelerator magnet is that it must have very high critical current density, the property that allows the generation of high magnetic fields in small spaces. Nb3Sn is the original high field superconductor, the material which was discovered in 1960 to allow a high current density in the field of about 9 T. For the high luminosity upgrade of the LHC, much higher current densities in fields of about 12 Tesla will be required. The critical value of the current density is of order 2600 A/mm2 in a field of 12 Tesla. But there are very important secondary factors that complicate the attainment of this critical current density. The first is that the effective filament diameter must be no larger than about 40 µm. The second factor is that 50% of the cross-section of the Nb3Sn conductor that is pure copper must be protected from any poisoning by any Sn leakage through the diffusion barrier that protects the package of niobium and tin from which the Nb3Sn is formed by a high temperature reaction. These three, somewhat conflicting requirements, mean that optimization of the conductor is complex. The work described in this contract report addresses these conflicting requirements. They show that very sophisticated characterizations can uncover the way to satisfy all 3 requirements and they also suggest that the ultimate optimization of Nb3Sn is still not yet in sight

  17. Magnetic resonance imaging and spectroscopy at ultra high fields

    Energy Technology Data Exchange (ETDEWEB)

    Neuberger, Thomas

    2009-06-23

    The goal of the work presented in this thesis was to explore the possibilities and limitations of MRI / MRS using an ultra high field of 17.6 tesla. A broad range of specific applications and MR methods, from MRI to MRSI and MRS were investigated. The main foci were on sodium magnetic resonance spectroscopic imaging of rodents, magnetic resonance spectroscopy of the mouse brain, and the detection of small amounts of iron labeled stem cells in the rat brain using MRI Sodium spectroscopic imaging was explored since it benefits tremendously from the high magnetic field. Due to the intrinsically low signal in vivo, originating from the low concentrations and short transverse relaxation times, only limited results have been achieved by other researchers until now. Results in the literature include studies conducted on large animals such as dogs to animals as small as rats. No studies performed on mice have been reported, despite the fact that the mouse is the most important laboratory animal due to the ready availability of transgenic strains. Hence, this study concentrated on sodium MRSI of small rodents, mostly mice (brain, heart, and kidney), and in the case of the brain on young rats. The second part of this work concentrated on proton magnetic resonance spectroscopy of the rodent brain. Due to the high magnetic field strength not only the increasing signal but also the extended spectral resolution was advantageous for such kind of studies. The difficulties/limitations of ultra high field MRS were also investigated. In the last part of the presented work detection limits of iron labeled stem cells in vivo using magnetic resonance imaging were explored. The studies provided very useful benchmarks for future researchers in terms of the number of labeled stem cells that are required for high-field MRI studies. Overall this work has shown many of the benefits and the areas that need special attention of ultra high fields in MR. Three topics in MRI, MRS and MRSI were

  18. Medical reference dosimetry using EPR measurements of alanine

    DEFF Research Database (Denmark)

    Helt-Hansen, Jakob; Rosendal, F.; Kofoed, I.M.

    2009-01-01

    Background. Electron spin resonance (EPR) is used to determine the absorbed dose of alanine dosimeters exposed to clinical photon beams in a solid-water phantom. Alanine is potentially suitable for medical reference dosimetry, because of its near water equivalence over a wide energy spectrum, low...... methods the proposed algorithm can be applied without normalisation of phase shifts caused by changes in the g-value of the cavity. The study shows that alanine dosimetry is a suitable candidate for medical reference dosimetry especially for quality control applications....

  19. EPR dosimetry of radiation background in the Urals region

    Energy Technology Data Exchange (ETDEWEB)

    Shishkina, E.A.; Degteva, M.O.; Shved, V.A. [Urals Research Center for Radiation Medicine, 48-A Vorovsky, Chelyabinsk 454076 (Russian Federation); Fattibene, P.; Onori, S. [Istituto Superiore di Sanita and Istituto Nazionale di Fisica Nucleare (Italy); Wieser, A. [GSF, Forschungszentrum fuer Umwelt und Gesundheit, Ingolstaedter Landstr (Germany); Ivanov, D.V.; Bayankin, S.N. [Institute of Metal Physics, Russian Academy of Sciences (Russian Federation); Knyazev, V.A.; Vasilenko, E.I.; Gorelov, M. [ZAO, Closed Corporation ' Company GEOSPETSECOLOGIA' (Russian Federation)

    2006-07-01

    Method of Electron Paramagnetic Resonance is extensively applied to individual retrospective dosimetry. The background dose is unavoidable component of cumulative absorbed dose in the tooth enamel accumulated during the lifetime of donor. Estimation of incidental radiation dose using tooth enamel needs in extraction of background dose. Moreover, the variation of background doses in the population is a limited factor for reliable detection of additional irradiation especially for low dose level. Therefore the accurate knowledge of the natural background radiation dose is a critical element of EPR studies of exposed populations. In the Urals region the method applies for such two large cohorts as the workers of Mayak (Ozersk citizens) and Techa River riverside inhabitants (rural population). Current study aimed to investigate the Urals radiation background detected by EPR spectrometry. For this aim two group of unexposed Urals residents were separated, viz: citizens of Ozersk and rural inhabitants of Chelyabinsk region. Comparison of two investigated territories has demonstrated that from the point of view of radiation background it is impossible to assume the Urals population as uniform. The reliable difference between the urban and rural residents has been found. The average background doses of Ozersk donors is in average 50 mGy higher than those detected for rural residents. The individual variability of background doses for Osersk has been higher than in the rural results. The difference in background dose levels between two population results in different limits of accidental dose detection and individualization. The doses for 'Mayak' workers (Ozyorsk citizens) can be classed as anthropogenic if the EPR measurements exceed 120 mGy for teeth younger than 40 years, and 240 mGy for teeth older than 70 years. The anthropogenic doses for Techa River residents (rural population) would be higher than 95 mGy for teeth younger than 50 years and 270 mGy for

  20. BCL::MP-Fold: membrane protein structure prediction guided by EPR restraints

    CERN Document Server

    Fischer, Axel Walter; Woetzel, Nils; Karakas, Mert; Weiner, Brian; Meiler, Jens

    2015-01-01

    For many membrane proteins the determination of their topology remains a challenge for methods like X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy. Electron paramagnetic resonance (EPR) spectroscopy has evolved as an alternative technique to study structure and dynamics of membrane proteins. The present study demonstrates the feasibility of membrane protein topology determination using limited EPR distance and accessibility measurements. The BCL::MP-Fold (BioChemical Library membrane protein fold) algorithm assembles secondary structure elements (SSEs) in the membrane using a Monte Carlo Metropolis (MCM) approach. Sampled models are evaluated using knowledge-based potential functions and agreement with the EPR data and a knowledge-based energy function. Twenty-nine membrane proteins of up to 696 residues are used to test the algorithm. The RMSD100 value of the most accurate model is better than 8{\\AA} for twenty-seven, better than 6{\\AA} for twenty-two and better than 4{\\AA} for fifte...

  1. EPR oximetry of tumors in vivo in cancer therapy

    Science.gov (United States)

    Šentjurc, Marjeta; Čemažar, Maja; Serša, Gregor

    2004-05-01

    The partial oxygen pressure ( pO 2) in tumors is considered to be one of important factors that affect the response of tumors to different treatment. Therefore, we anticipate that the information about the variation of oxygen concentration in tumors can be used as a guide for individualizing radiotherapy, chemotherapy, and especially the combined therapies. There is thus a need to obtain quantitative data on the effects of different therapies on tumor oxygenation under in vivo conditions. One of the methods, which enable these measurements is EPR oximetry. In this work basic principles of the method will be described as well as some examples of tumor oxygenation changes after application of chemotherapeutic drugs (vinblastine, cisplatin, bleomycin) or electric pulses in combination with cisplatin or bleomycin to fibrosarcoma SA-1 tumors in mice. A paramagnetic probe, a char of Bubinga tree, was implanted into the tumor (center and periphery) and in the muscle or subcutis. EPR spectra line-width, which is proportional to oxygen concentration, was measured with time after the treatments. Tumor oxygenation was reduced for 58% of pretreatment value 1 h after intraperitoneal injection of 2.5 mg kg -1 VLB and returned to pretreatment level within 24 h. Reduction in oxygenation of muscle and subcutis was much smaller and returned to pretreatment value faster as in tumors. With cisplatin (4 mg kg -1) and bleomicyn (1 mg kg -1) the reduction was less than 15%, but increases in combined therapy to 70%. Similar reduction was observed also with electric pulses alone (eight pulses, 1300 V cm -1, 100 μs, 1 Hz) with fast recovery of 8 h. After electrochemotherapy the recovery was slower and occurs only after 48 h. This study demonstrates that EPR oximetry is a sensitive method for monitoring changes in tissue oxygenation after different treatments, which may have implications in controlling side effects of therapy and in the planning of combined treatments.

  2. Full cycle rapid scan EPR deconvolution algorithm

    Science.gov (United States)

    Tseytlin, Mark

    2017-08-01

    Rapid scan electron paramagnetic resonance (RS EPR) is a continuous-wave (CW) method that combines narrowband excitation and broadband detection. Sinusoidal magnetic field scans that span the entire EPR spectrum cause electron spin excitations twice during the scan period. Periodic transient RS signals are digitized and time-averaged. Deconvolution of absorption spectrum from the measured full-cycle signal is an ill-posed problem that does not have a stable solution because the magnetic field passes the same EPR line twice per sinusoidal scan during up- and down-field passages. As a result, RS signals consist of two contributions that need to be separated and postprocessed individually. Deconvolution of either of the contributions is a well-posed problem that has a stable solution. The current version of the RS EPR algorithm solves the separation problem by cutting the full-scan signal into two half-period pieces. This imposes a constraint on the experiment; the EPR signal must completely decay by the end of each half-scan in order to not be truncated. The constraint limits the maximum scan frequency and, therefore, the RS signal-to-noise gain. Faster scans permit the use of higher excitation powers without saturating the spin system, translating into a higher EPR sensitivity. A stable, full-scan algorithm is described in this paper that does not require truncation of the periodic response. This algorithm utilizes the additive property of linear systems: the response to a sum of two inputs is equal the sum of responses to each of the inputs separately. Based on this property, the mathematical model for CW RS EPR can be replaced by that of a sum of two independent full-cycle pulsed field-modulated experiments. In each of these experiments, the excitation power equals to zero during either up- or down-field scan. The full-cycle algorithm permits approaching the upper theoretical scan frequency limit; the transient spin system response must decay within the scan

  3. Characterisation of prehnite by EPMA, Mössbauer, optical absorption and EPR spectroscopic methods.

    Science.gov (United States)

    Reddy, N C Gangi; Fayazyddin, S Md; Reddy, R Rama Subba; Reddy, G Siva; Reddy, S Lakshmi; Rao, P Sambasiva; Reddy, B Jagannatha

    2005-11-01

    A sample of prehnite from Rayalaseema zone of Andhra Pradesh, India containing about 2.565 wt.% Fe(2)O(3) is used in the present work. The mineral has been characterized by EPMA, optical absorption, EPR, NIR and Mössbauer techniques. Mössbauer studies confirm the presence of iron as an impurity in two sites. An EPR study on powder sample confirm the presence of Fe(III) impurity in the mineral. Optical absorption spectrum also indicates that Fe(III) impurity is present in two sites with octahedral structure. NIR results are due to water fundamentals.

  4. EPR dosimetry of teeth in past and future accidents: a prospective look at a retrospective method

    Energy Technology Data Exchange (ETDEWEB)

    Haskell, E.H.; Kenner, G.H.; Hayes, R.B. [Utah Univ., Salt Lake City, UT (United States). Center for Applied Dosimetry; Chumak, V.; Shalom, S. [All-Union Scientific Centre of Radiation Medicine, Kiev (Ukraine)

    1996-01-01

    Electron paramagnetic resonance spectroscopy (EPR) of tooth enamel is a relatively new technique for retrospective dosimetry that in the past two years has seen increasing effort towards its development and evaluation. Efforts have centered on determining the accuracy which may be achieved with current measurement techniques as well as the minimum doses detectable. The study was focused on evaluating some factors which influence the accuracy of EPR dosimetry of enamel. Reported are studies on sample intercomparisions, instrumental considerations, and effects of dental x-rays, environmental sunlight and ultraviolet radiation.

  5. Crystallite arrangement of hydroxyapatite microcrystals in human tooth cementum as revealed by electron paramagnetic resonance (EPR)

    Energy Technology Data Exchange (ETDEWEB)

    Skaleric, U.; Gaspirc, B. [Univ. of Ljubljana, Jozef Stefan Inst., Center for Dental Research, Ljubljana (Slovenia); Cevc, P.; Schara, M. [Univ. of Ljubljana, Jozef Stefan Inst., EPR Center Ljubljana, Ljubljana (Slovenia)

    1998-08-01

    Human dental cementum was analyzed by electron paramagnetic resonance (EPR). The measured EPR powder spectra of {gamma}-irradiated cementum resembled those of {gamma}irradiated enamel. Both spectra were characterized by the same line shapes and g values. The position of the extreme first derivate peaks can be described by g{sub 1}=2.0023 and g{sub 2}=1.9971{+-}0.0002, and are assignable to the CO{sub 3}{sup 3-} center. The angular dependence of the cementum EPR spectra indicates a different arrangement of the hydroxyapatite microcrystals compared to that of enamel. A corresponding model of cementum micro-crystal alignment has been proposed. The methodology presented can be utilized for studying the mineralization process of root cementum and other mineralized tissues. (au) 14 refs.

  6. Quantitative analysis of dinuclear manganese(II) EPR spectra.

    Science.gov (United States)

    Golombek, Adina P; Hendrich, Michael P

    2003-11-01

    A quantitative method for the analysis of EPR spectra from dinuclear Mn(II) complexes is presented. The complex [(Me(3)TACN)(2)Mn(II)(2)(mu-OAc)(3)]BPh(4) (1) (Me(3)TACN=N, N('),N(")-trimethyl-1,4,7-triazacyclononane; OAc=acetate(1-); BPh(4)=tetraphenylborate(1-)) was studied with EPR spectroscopy at X- and Q-band frequencies, for both perpendicular and parallel polarizations of the microwave field, and with variable temperature (2-50K). Complex 1 is an antiferromagnetically coupled dimer which shows signals from all excited spin manifolds, S=1 to 5. The spectra were simulated with diagonalization of the full spin Hamiltonian which includes the Zeeman and zero-field splittings of the individual manganese sites within the dimer, the exchange and dipolar coupling between the two manganese sites of the dimer, and the nuclear hyperfine coupling for each manganese ion. All possible transitions for all spin manifolds were simulated, with the intensities determined from the calculated probability of each transition. In addition, the non-uniform broadening of all resonances was quantitatively predicted using a lineshape model based on D- and r-strain. As the temperature is increased from 2K, an 11-line hyperfine pattern characteristic of dinuclear Mn(II) is first observed from the S=3 manifold. D- and r-strain are the dominate broadening effects that determine where the hyperfine pattern will be resolved. A single unique parameter set was found to simulate all spectra arising for all temperatures, microwave frequencies, and microwave modes. The simulations are quantitative, allowing for the first time the determination of species concentrations directly from EPR spectra. Thus, this work describes the first method for the quantitative characterization of EPR spectra of dinuclear manganese centers in model complexes and proteins. The exchange coupling parameter J for complex 1 was determined (J=-1.5+/-0.3 cm(-1); H(ex)=-2JS(1).S(2)) and found to be in agreement with a

  7. Tunable-frequency high-field electron paramagnetic resonance

    Science.gov (United States)

    Krzystek, J.; Zvyagin, S. A.; Ozarowski, Andrew; Trofimenko, S.; Telser, Joshua

    2006-02-01

    A tunable-frequency methodology based on backward wave oscillator sources in high-frequency and -field EPR (HFEPR) is described. This methodology is illustrated by an application to three non-Kramers transition metal ion complexes and one Kramers ion complex. The complexes are of: Ni(II) ( S = 1) as found in dichlorobistriphenylphosphanenickel(II), Mn(III) ( S = 2) as found in mesotetrasulfonatoporphyrinatomanganese(III) chloride, Fe(II) ( S = 2) as found in ferrous sulfate tetrahydrate, and Co(II) ( S = 3/2) as found in azido(tris(3- tert-butylpyrazol-1-yl)hydroborate)cobalt(II). The above Ni(II) and Mn(III) complexes have been studied before by HFEPR using the multifrequency methodology based on Gunn oscillator sources, but not by the present method, while the Fe(II) and Co(II) complexes presented here have not been studied by any form of HFEPR. Highly accurate spin Hamiltonian parameters can be obtained by the experimental methodology described here, in combination with automated fitting procedures. This method is particularly successful in determining g-matrix parameters, which are very difficult to extract for high-spin systems from single frequency (or a very limited set of multi-frequency) HFEPR spectra, but is also able to deliver equally accurate values of the zero-field splitting tensor. The experimental methods involve either conventional magnetic field modulation or an optical modulation of the sub-THz wave beam. The relative merits of these and other experimental methods are discussed.

  8. EPR determination of the mechanism of the oxidation of alkenyl aminophosphites

    Energy Technology Data Exchange (ETDEWEB)

    Il' yasov, A.V.; Kibardin, A.M.; Morozov, V.I.; Gryaznov, P.I.; Vafina, A.A.; Pudovik, A.N.

    1987-10-20

    Aminophosphites that contain a vinyl group on the nitrogen atom are oxidized easily by atmospheric oxygen. Since it is important to clarify the nature of this reaction in order to understand the reactivity of organic phosphites, the authors have made an EPR study of the reaction of these phosphites with oxygen. Unstable intermediate paramagnetic reaction products were trapped in the presence of 2-methyl-nitrosopropane, ..cap alpha..-phenyl-N-tert-butylnitrone, and chloroaniline, compounds that served as spin traps. The hyperfine structure of the EPR spectra can be attributed to the interaction of an unpaired electron with nuclei of hydrogen, nitrogen, and phosphorus atoms.

  9. Application of jade samples for high-dose dosimetry using the EPR technique

    Energy Technology Data Exchange (ETDEWEB)

    Teixeira, Maria Ines [Instituto de Pesquisas Energeticas e Nucleares/Comissao Nacional de Energia Nuclear Av. Prof. Lineu Prestes 2242, 05508-000, Sao Paulo (Brazil)], E-mail: miteixei@ipen.br; Melo, Adeilson P. [Instituto de Pesquisas Energeticas e Nucleares/Comissao Nacional de Energia Nuclear Av. Prof. Lineu Prestes 2242, 05508-000, Sao Paulo (Brazil); Centro Federal de Educacao Tecnologica de Sergipe, Aracaju (Brazil)], E-mail: adeilson_pessoa_melo@yahoo.com.br; Ferraz, Gilberto M. [Depto. de Fisica Nuclear, Instituto de Fisica, Universidade de Sao Paulo, Sao Paulo (Brazil)], E-mail: gmarconf@if.usp.br; Caldas, Linda V.E. [Instituto de Pesquisas Energeticas e Nucleares/Comissao Nacional de Energia Nuclear Av. Prof. Lineu Prestes 2242, 05508-000, Sao Paulo (Brazil)], E-mail: lcaldas@ipen.br

    2010-04-15

    The dosimeter characteristics of jade samples were studied for application in high-dose dosimetry. Jade is the common denomination of two silicates: jadeite and actinolite. The EPR spectra of different jade samples were obtained after irradiation with absorbed doses of 100 Gy up to 20 kGy. The jade samples present signals that increase with the absorbed dose (g-factors around 2.00); they can be attributed to electron centers. The EPR spectra obtained for the USA jade samples and their main dosimetric properties as reproducibility, calibration curves and energy dependence were investigated.

  10. High-field electrical and thermal transport in suspended graphene.

    Science.gov (United States)

    Dorgan, Vincent E; Behnam, Ashkan; Conley, Hiram J; Bolotin, Kirill I; Pop, Eric

    2013-10-09

    We study the intrinsic transport properties of suspended graphene devices at high fields (≥1 V/μm) and high temperatures (≥1000 K). Across 15 samples, we find peak (average) saturation velocity of 3.6 × 10(7) cm/s (1.7 × 10(7) cm/s) and peak (average) thermal conductivity of 530 W m(-1) K(-1) (310 W m(-1) K(-1)) at 1000 K. The saturation velocity is 2-4 times and the thermal conductivity 10-17 times greater than in silicon at such elevated temperatures. However, the thermal conductivity shows a steeper decrease at high temperature than in graphite, consistent with stronger effects of second-order three-phonon scattering. Our analysis of sample-to-sample variation suggests the behavior of "cleaner" devices most closely approaches the intrinsic high-field properties of graphene. This study reveals key features of charge and heat flow in graphene up to device breakdown at ~2230 K in vacuum, highlighting remaining unknowns under extreme operating conditions.

  11. EPR-Bohr and Quantum Trajectories: Entaglement and Nonlocality

    OpenAIRE

    Floyd, Edward R.

    2010-01-01

    Quantum trajectories are used to investigate the EPR-Bohr debate in a modern sense by examining entanglement and nonlocality. We synthesize a single "entanglement molecule" from the two scattered particles of the EPR experiment. We explicitly investigate the behavior of the entanglement molecule rather than the behaviors of the two scattered particles to gain insight into the EPR-Bohr debate. We develop the entanglement molecule's wave function in polar form and its reduced action, both of wh...

  12. Multi-photon transitions and Rabi resonance in continuous wave EPR.

    Science.gov (United States)

    Saiko, Alexander P; Fedaruk, Ryhor; Markevich, Siarhei A

    2015-10-01

    The study of microwave-radiofrequency multi-photon transitions in continuous wave (CW) EPR spectroscopy is extended to a Rabi resonance condition, when the radio frequency of the magnetic-field modulation matches the Rabi frequency of a spin system in the microwave field. Using the non-secular perturbation theory based on the Bogoliubov averaging method, the analytical description of the response of the spin system is derived for all modulation frequency harmonics. When the modulation frequency exceeds the EPR linewidth, multi-photon transitions result in sidebands in absorption EPR spectra measured with phase-sensitive detection at any harmonic. The saturation of different-order multi-photon transitions is shown to be significantly different and to be sensitive to the Rabi resonance. The noticeable frequency shifts of sidebands are found to be the signatures of this resonance. The inversion of two-photon lines in some spectral intervals of the out-of-phase first-harmonic signal is predicted under passage through the Rabi resonance. The inversion indicates the transition from absorption to stimulated emission or vice versa, depending on the sideband. The manifestation of the primary and secondary Rabi resonance is also demonstrated in the time evolution of steady-state EPR signals formed by all harmonics of the modulation frequency. Our results provide a theoretical framework for future developments in multi-photon CW EPR spectroscopy, which can be useful for samples with long spin relaxation times and extremely narrow EPR lines. Copyright © 2015 Elsevier Inc. All rights reserved.

  13. New Developments in Spin Labels for Pulsed Dipolar EPR

    Directory of Open Access Journals (Sweden)

    Alistair J. Fielding

    2014-10-01

    Full Text Available Spin labelling is a chemical technique that enables the integration of a molecule containing an unpaired electron into another framework for study. Given the need to understand the structure, dynamics, and conformational changes of biomacromolecules, spin labelling provides a relatively non-intrusive technique and has certain advantages over X-ray crystallography; which requires high quality crystals. The technique relies on the design of binding probes that target a functional group, for example, the thiol group of a cysteine residue within a protein. The unpaired electron is typically supplied through a nitroxide radical and sterically shielded to preserve stability. Pulsed electron paramagnetic resonance (EPR techniques allow small magnetic couplings to be measured (e.g., <50 MHz providing information on single label probes or the dipolar coupling between multiple labels. In particular, distances between spin labels pairs can be derived which has led to many protein/enzymes and nucleotides being studied. Here, we summarise recent examples of spin labels used for pulse EPR that serve to illustrate the contribution of chemistry to advancing discoveries in this field.

  14. EPR spectroscopy of the manganese cluster of photosystem II.

    Science.gov (United States)

    Haddy, Alice

    2007-06-01

    Electron paramagnetic resonance (EPR) spectroscopy is a valuable tool for understanding the oxidation state and chemical environment of the Mn4Ca cluster of photosystem II. Since the discovery of the multiline signal from the S2 state, EPR spectroscopy has continued to reveal details about the catalytic center of oxygen evolution. At present EPR signals from nearly all of the S-states of the Mn4Ca cluster, as well as from modified and intermediate states, have been observed. This review article describes the various EPR signals obtained from the Mn4Ca cluster, including the metalloradical signals due to interaction of the cluster with a nearby organic radical.

  15. High-field thermal transport properties of REBCO coated conductors

    Science.gov (United States)

    Bonura, Marco; Senatore, Carmine

    2015-02-01

    The use of REBCO coated conductors (CCs) is envisaged for many applications, extending from power cables to high-field magnets. Whatever the case, thermal properties of REBCO tapes play a key role for the stability of superconducting devices. In this work, we present the first study on the longitudinal thermal conductivity (κ) of REBCO CCs in magnetic fields up to 19 T applied both parallel and perpendicularly to the thermal-current direction. Copper-stabilized tapes from six industrial manufacturers have been investigated. We show that zero-field κ of CCs can be calculated with an accuracy of +/- 15% from the residual resistivity ratio of the stabilizer and the Cu/non-Cu ratio. Measurements performed at high fields have allowed us to evaluate the consistency of the procedures generally used for estimating in-field κ in the framework of the Wiedemann-Franz law from an electrical characterization of the materials. In-field data are intended to provide primary ingredients for the thermal stability analysis of high-temperature superconductor-based magnets.

  16. Mössbauer, EPR, and magnetic susceptibility studies on members of a new family of cyano-bridged 3d-4f complexes. Demonstration of anisotropic exchange in a Fe-Gd complex

    Science.gov (United States)

    Stoian, Sebastian A.; Paraschiv, Carmen; Kiritsakas, Nathalie; Lloret, Francesc; Münck, Eckard; Bominaar, Emile L.; Andruh, Marius

    2010-01-01

    The synthesis and crystallographic characterization of a new family of M(μ-CN)Ln complexes are reported. Two structural series have been prepared by reacting in water rare earth nitrates (LnIII = La, Pr, Nd, Sm, Eu, Gd, Dy, Ho) with K3[M(CN)6] (MIII = Fe, Co) in the presence of hexamethylenetetramine (hmt). The first series consists of six isomorphous heterobinuclear complexes, [(CN)5M-CNLn(H2O)8]·2hmt ([FeLa] 1, [FePr] 2, [FeNd] 3, [FeSm] 4, [FeEu] 5, [FeGd] 6), while the second series consists of four isostructural ionic complexes, [Ln(H2O)8][M(CN)6]·hmt ([FeDy] 7, [FeHo] 8, [CoEu] 9, [CoGd] 10). The hexamethylenetetramine molecules contribute to the stabilization of the crystals by participating in an extended network of hydrogen bond interactions. In both series the aqua ligands are hydrogen bonded to the nitrogen atoms from both the terminal CN groups and the hmt molecules. The [FeGd] complex has been analyzed with 57Fe Mössbauer spectroscopy, EPR, and magnetic susceptibility measurements. We have also analyzed the [FeLa] complex, in which the paramagnetic GdIII is replaced by diamagnetic LaIII, to obtain information about the low-spin FeIII site that is not accessible in the presence of a paramagnetic ion at the complementary site. For the same reason, the [CoGd] complex, containing diamagnetic CoIII, was studied with EPR and magnetic susceptibility measurements, which confirmed the S = 7/2 spin of GdIII. Prior knowledge about the paramagnetic sites in [FeGd] allows a detailed analysis of the exchange interactions between them. In particular, the question of whether the exchange interaction in [FeGd] is isotropic or anisotropic has been addressed. Standard variable-temperature magnetic susceptibility measurements provide only the value for a linear combination of Jx, Jy, and Jz but contain no information about the values of the individual exchange parameters Jx, Jy, and Jz. In contrast, the spin-Hamiltonian analysis of the variable-field, variable

  17. EPR dosimetric properties of nano-barium sulfate

    Science.gov (United States)

    Aboelezz, E.; Hassan, G. M.; Sharaf, M. A.; El-Khodary, A.

    2015-01-01

    Nano/micro BaSO4 were prepared through the co-precipitation method to measure ionizing radiation doses using electron paramagnetic resonance (EPR). The nano-BaSO4 sample was characterized using X-ray diffraction (XRD), and transmission electron microscopy (TEM) techniques. The dose response and fading properties of nano- and micro-phase BaSO4 were compared in EPR spectra. The prepared nano- and micro-BaSO4 samples have the same hole and electron centers, which may be attributed to SO4- and SO3-, respectively. The dosimetric signals for prepared nano- and micro-BaSO4 have spectroscopic splitting factor (g) with values 2.0025±0.0006 and 2.0027±0.0006, respectively. The nanocrystalline sample has a linear γ-ray dose response over the range 0.4 Gy-1 kGy. The performance parameters which including detection limit and critical level calculated from weighted and unweighted least-squares fitting. The sensitivity of nano-BaSO4 to γ-ray is one and a half times more than alanine. The lifetime and activation energy for nano-BaSO4 were estimated by conducting a thermal stability study, and were 5.7±1.1×104 years and 0.73±0.14 eV, respectively. The combined and expanded uncertainties accompanying measurements were ±3.89% and ±7.78%, respectively.

  18. EPR: what has it taught us

    Energy Technology Data Exchange (ETDEWEB)

    Stapp, H.P.

    1985-05-01

    This symposium commemorating the fiftieth anniversary of the paper of Einstein, Podolsky, and Rosen is a fitting place to review what that work and its sequels have taught us. Prima facie, the EPR paper appears to have been exceedingly counter-productive for the following reasons: (1) The work was quickly rebutted by Bohr, and this rebuttal was apparently accepted by most workers in the field. (2) Scientists who adopted the position advocated by Bohr have produced, in the intervening fifty years, a marvelous body of useful theory, whereas those following the course suggested by EPR have produced nothing of any certified practical value. (3) It has been shown by Bell that the conclusion reached by EPR is incompatible with their assumptions. Chemists and physicists have recently begun to examine the behavior of quantum mechanical systems that are very small, yet large enough to influence their environment in ways that appreciably modify their own behavior, vis-a-vis the behavior they would have if isolated. Because these systems are neither small enough to be treated as isolated (or as residing in a classically described environment) between preparation and detection, nor large enough to be treated classically, they do not conform to the format demanded by the Copenhagen interpretation. Indeed, the behavior of these systems depends on ontological considerations that were irrelevant in the situations covered by the Copenhagen interpretation, and that were systematically ignored in that interpretation. Scientists now face the task of enlarging the scope of quantum theory to cover these new situations, and comparing the empirical consequences of various ontological assumptions. 17 refs.

  19. EPR and luminescence studies of the radiation induced Eu.sup.2+./sup. centers in the EuAl.sub.3./sub.(BO.sub.3./sub.).sub.4./sub. single crystals

    Czech Academy of Sciences Publication Activity Database

    Prokhorov, Andriy; Chernush, L.F.; Babin, Vladimir; Buryi, Maksym; Savchenko, Dariia; Lančok, Ján; Nikl, Martin; Prokhorov, A.D.

    2017-01-01

    Roč. 66, Apr (2017), s. 428-433 ISSN 0925-3467 R&D Projects: GA MŠk LO1409; GA MŠk LM2015088 Institutional support: RVO:68378271 Keywords : EPR spectra * multiferroics * rare-earth * luminescence * aluminum borates * X-ray irradiation * spin Hamiltonian parameters * superposition model Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.238, year: 2016

  20. Teaching the EPR paradox at high school?

    Science.gov (United States)

    Pospiech, Gesche

    1999-09-01

    The discovery of quantum mechanics at the beginning of our century led to a revolution of the physical world view. Modern experiments, made possible by new techniques on the border of the classical and the quantum regimes, offer new insights and better understanding of the quantum world and have an impact on new technological development. Therefore it seems important that students at university and in the final years of high school gain an appreciation of the principles of quantum mechanics. A suitable way seems to be through treatment of the EPR gedanken experiment (thought experiment).

  1. Radiofrequency solutions in clinical high field magnetic resonance

    NARCIS (Netherlands)

    Andreychenko, A.|info:eu-repo/dai/nl/341697672

    2013-01-01

    Magnetic resonance imaging (MRI) and spectroscopy (MRS) benefit from the sensitivity gain at high field (≥7T). However, high field brings also certain challenges associated with growing frequency and spectral dispersion. Frequency growth results in degraded performance of large volume radiofrequency

  2. High resolution EPR applications to metalloenzymes and metals in medicine

    CERN Document Server

    Berliner, Lawrence

    2009-01-01

    EPR spectroscopy has an important role in the geometric structural characterization of the redox cofactors in metalloproteins and their electronic structure, as this is crucial for their reactivity. This title covers high-resolution EPR methods, iron proteins, nickel and copper enzymes, and metals in medicine.

  3. Phase transitions reflected in HF-EPR spectra

    NARCIS (Netherlands)

    Horst, Eric van der

    2006-01-01

    EPR is a technique limited to unpaired electrons. Current state of the art set-ups operate at frequencies of 130 GHz or higher. The benefits are increased resolution and the ability to measure large D systems. Using EPR data combined with other techniques systems in which (magnetic) phase

  4. Magnetostructural transitions in a frustrated magnet at high fields.

    Science.gov (United States)

    Tsurkan, V; Zherlitsyn, S; Felea, V; Yasin, S; Skourski, Yu; Deisenhofer, J; von Nidda, H-A Krug; Lemmens, P; Wosnitza, J; Loidl, A

    2011-06-17

    Ultrasound and magnetization studies of bond-frustrated ZnCr(2)S(4) spinel are performed in static magnetic fields up to 18 T and in pulsed fields up to 62 T. At temperatures below the antiferromagnetic transition at T(N1)≈14  K, the sound velocity as a function of the magnetic field reveals a sequence of steps followed by plateaus indicating a succession of crystallographic structures with constant stiffness. At the same time, the magnetization evolves continuously with a field up to full magnetic polarization without any plateaus in contrast to geometrically frustrated chromium oxide spinels. The observed high-field magnetostructural states are discussed within a H-T phase diagram taking into account the field and temperature evolution of three coexisting spin structures and subsequent lattice transformations induced by the magnetic field.

  5. Electron spin dynamics of Ce3 + ions in YAG crystals studied by pulse-EPR and pump-probe Faraday rotation

    Science.gov (United States)

    Azamat, D. V.; Belykh, V. V.; Yakovlev, D. R.; Fobbe, F.; Feng, D. H.; Evers, E.; Jastrabik, L.; Dejneka, A.; Bayer, M.

    2017-08-01

    The spin relaxation dynamics of Ce3 + ions in heavily cerium-doped YAG crystals is studied using pulse-electron paramagnetic resonance and time-resolved pump-probe Faraday rotation. Both techniques address the 4 f ground state, while pump-probe Faraday rotation also provides access to the excited 5 d state. We measure a millisecond spin-lattice relaxation time T1, a microsecond spin coherence time T2, and a ˜10 ns inhomogeneous spin dephasing time T2* for the Ce3 + ground state at low temperatures. The spin-lattice relaxation of Ce3 + ions is due to modified Raman processes involving the optical phonon mode at ˜125 cm-1 . The relaxation at higher temperature goes through a first excited level of the 5/2 2F term at about ℏ ω ≈228 cm-1 . Effects provided by the hyperfine interaction of the Ce3 + with the 27Al nuclei are observed.

  6. Adsorption of adenine and thymine on zeolites: FT-IR and EPR spectroscopy and X-ray diffractometry and SEM studies.

    Science.gov (United States)

    Baú, João Paulo T; Carneiro, Cristine E A; de Souza Junior, Ivan G; de Souza, Cláudio M D; da Costa, Antonio C S; di Mauro, Eduardo; Zaia, Cássia T B V; Coronas, Joaquin; Casado, Clara; de Santana, Henrique; Zaia, Dimas A M

    2012-02-01

    The interactions of adenine and thymine with and adsorption on zeolites were studied using different techniques. There were two main findings. First, as shown by X-ray diffractometry, thymine increased the decomposition of the zeolites (Y, ZSM-5) while adenine prevented it. Second, zeolite Y adsorbed almost the same amount of adenine and thymine, thus both nucleic acid bases could be protected from hydrolysis and UV radiation and could be available for molecular evolution. The X-ray diffractometry and SEM showed that artificial seawater almost dissolved zeolite A. The adsorption of adenine on ZSM-5 zeolite was higher than that of thymine (Student-Newman-Keuls test-SNK pzeolite, when compared to other zeolites (SNK pzeolites was not statistically different (SNK p>0.05). The adsorption of adenine and thymine on zeolites did not depend on pore size or Si/Al ratio and it was not explained only by electrostatic forces; rather van der Waals interactions should also be considered.

  7. Whole-globe biomechanics using high-field MRI.

    Science.gov (United States)

    Voorhees, Andrew P; Ho, Leon C; Jan, Ning-Jiun; Tran, Huong; van der Merwe, Yolandi; Chan, Kevin; Sigal, Ian A

    2017-07-01

    The eye is a complex structure composed of several interconnected tissues acting together, across the whole globe, to resist deformation due to intraocular pressure (IOP). However, most work in the ocular biomechanics field only examines the response to IOP over smaller regions of the eye. We used high-field MRI to measure IOP induced ocular displacements and deformations over the whole globe. Seven sheep eyes were obtained from a local abattoir and imaged within 48 h using MRI at multiple levels of IOP. IOP was controlled with a gravity perfusion system and a cannula inserted into the anterior chamber. T2-weighted imaging was performed to the eyes serially at 0 mmHg, 10 mmHg, 20 mmHg and 40 mmHg of IOP using a 9.4 T MRI scanner. Manual morphometry was conducted using 3D visualization software to quantify IOP-induced effects at the globe scale (e.g. axial length and equatorial diameters) or optic nerve head scale (e.g. canal diameter, peripapillary sclera bowing). Measurement sensitivity analysis was conducted to determine measurement precision. High-field MRI revealed an outward bowing of the posterior sclera and anterior bulging of the cornea due to IOP elevation. Increments in IOP from 10 to 40 mmHg caused measurable increases in axial length in 6 of 7 eyes of 7.9 ± 5.7% (mean ± SD). Changes in equatorial diameter were minimal, 0.4 ± 1.2% between 10 and 40 mmHg, and in all cases less than the measurement sensitivity. The effects were nonlinear, with larger deformations at normal IOPs (10-20 mmHg) than at elevated IOPs (20-40 mmHg). IOP also caused measurable increases in the nasal-temporal scleral canal diameter of 13.4 ± 9.7% between 0 and 20 mmHg, but not in the superior-inferior diameter. This study demonstrates that high-field MRI can be used to visualize and measure simultaneously the effects of IOP over the whole globe, including the effects on axial length and equatorial diameter, posterior sclera displacement and bowing, and even

  8. Precise Determination of Zero-Field Splitting Parameters of Hemin by High-Field and High-Frequency Electron Paramagnetic Resonance

    Science.gov (United States)

    Okamoto, Tsubasa; Ohmichi, Eiji; Okubo, Susumu; Ohta, Hitoshi

    2018-01-01

    The zero-field splitting (ZFS) parameters of Fe(III) protoporphyrin IX chloride, or hemin, a model substance of hemoproteins, were determined precisely by high-field and high-frequency electron paramagnetic resonance (HFEPR). From multi-frequency measurements up to 700 GHz, multiple EPR absorptions were clearly resolved, and the rhombic component of ZFS was directly determined, for the first time, as |E| = 0.055 ± 0.005 cm-1, in addition to the axial component D = 6.90 ± 0.01 cm-1. This finding indicates the essential role of the rhombic symmetry of excited states in the ZFS parameters.

  9. Electron Paramagnetic Resonance (EPR) Spectroscopy in Studies of the Protective Effects of 24-Epibrasinoide and Selenium against Zearalenone-Stimulation of the Oxidative Stress in Germinating Grains of Wheat.

    Science.gov (United States)

    Filek, Maria; Łabanowska, Maria; Kurdziel, Magdalena; Sieprawska, Apolonia

    2017-05-27

    These studies concentrate on the possibility of using selenium ions and/or 24-epibrassinolide at non-toxic levels as protectors of wheat plants against zearalenone, which is a common and widespread mycotoxin. Analysis using the UHPLC-MS technique allowed for identification of grains having the stress-tolerant and stress-sensitive wheat genotype. When germinating in the presence of 30 µM of zearalenone, this mycotoxin can accumulate in both grains and hypocotyls germinating from these grains. Selenium ions (10 µM) and 24-epibrassinolide (0.1 µM) introduced together with zearalenone decreased the uptake of zearalenone from about 295 to 200 ng/g and from about 350 to 300 ng/g in the grains of tolerant and sensitive genotypes, respectively. As a consequence, this also resulted in a reduction in the uptake of zearalenone from about 100 to 80 ng/g and from about 155 to 128 ng/g in the hypocotyls from the germinated grains of tolerant and sensitive wheat, respectively. In the mechanism of protection against the zearalenone-induced oxidative stress, the antioxidative enzymes-mainly superoxide dismutase (SOD) and catalase (CAT)-were engaged, especially in the sensitive genotype. Electron paramagnetic resonance (EPR) studies allowed for a description of the chemical character of the long-lived organic radicals formed in biomolecular structures which are able to stabilize electrons released from reactive oxygen species as well as the changes in the status of transition paramagnetic metal ions. The presence of zearalenone drastically decreased the amount of paramagnetic metal ions-mainly Mn(II) and Fe(III)-bonded in the organic matrix. This effect was particularly found in the sensitive genotype, in which these species were found at a smaller level. The protective effect of selenium ions and 24-epibrassinolide originated from their ability to inhibit the destruction of biomolecules by reactive oxygen species. An increased ability to defend biomolecules against zearalenone

  10. Electron Paramagnetic Resonance (EPR Spectroscopy in Studies of the Protective Effects of 24-Epibrasinoide and Selenium against Zearalenone-Stimulation of the Oxidative Stress in Germinating Grains of Wheat

    Directory of Open Access Journals (Sweden)

    Maria Filek

    2017-05-01

    Full Text Available These studies concentrate on the possibility of using selenium ions and/or 24-epibrassinolide at non-toxic levels as protectors of wheat plants against zearalenone, which is a common and widespread mycotoxin. Analysis using the UHPLC-MS technique allowed for identification of grains having the stress-tolerant and stress-sensitive wheat genotype. When germinating in the presence of 30 µM of zearalenone, this mycotoxin can accumulate in both grains and hypocotyls germinating from these grains. Selenium ions (10 µM and 24-epibrassinolide (0.1 µM introduced together with zearalenone decreased the uptake of zearalenone from about 295 to 200 ng/g and from about 350 to 300 ng/g in the grains of tolerant and sensitive genotypes, respectively. As a consequence, this also resulted in a reduction in the uptake of zearalenone from about 100 to 80 ng/g and from about 155 to 128 ng/g in the hypocotyls from the germinated grains of tolerant and sensitive wheat, respectively. In the mechanism of protection against the zearalenone-induced oxidative stress, the antioxidative enzymes—mainly superoxide dismutase (SOD and catalase (CAT—were engaged, especially in the sensitive genotype. Electron paramagnetic resonance (EPR studies allowed for a description of the chemical character of the long-lived organic radicals formed in biomolecular structures which are able to stabilize electrons released from reactive oxygen species as well as the changes in the status of transition paramagnetic metal ions. The presence of zearalenone drastically decreased the amount of paramagnetic metal ions—mainly Mn(II and Fe(III—bonded in the organic matrix. This effect was particularly found in the sensitive genotype, in which these species were found at a smaller level. The protective effect of selenium ions and 24-epibrassinolide originated from their ability to inhibit the destruction of biomolecules by reactive oxygen species. An increased ability to defend biomolecules

  11. High-field magnetic transition in Er sub 2 Fe sub 14 B

    Energy Technology Data Exchange (ETDEWEB)

    Radwanski, R.J.; Boer, F.R. de (Natuurkundig Lab., Univ. van Amsterdam (Netherlands)); Zhong, X.P.; Yang, F.M.; Li, J.Y. (Magnetism Lab., Inst. of Physics, Academia Sinica, Beijing (China)); Kohashi, T.; Ono, M.; Date, M. (Dept. of Physics, Osaka Univ. (Japan)); Yamagishi, A. (Research Center for Extreme Materials, Osaka Univ. (Japan))

    1991-10-01

    Field-induced transitions in quasi-ternary Er{sub 2}Fe{sub 14}B compounds have been revealed by means of magnetization measurements at high magnetic fields. The high-field studies for Er{sub 2}Fe{sub 14}B, in particular the modest differential high-field susceptibility and the formation of a non-collinear magnetic structure at 42 T, do not confirm the substantial canted magnetic structure at low fields. (orig.).

  12. Detection of free radicals formed by in vitro metabolism of fluoride using EPR spectroscopy.

    Science.gov (United States)

    Pawłowska-Góral, Katarzyna; Pilawa, Barbara

    2011-10-01

    In many parts of the globe, where water contains large amount of fluoride, fluorosis is a serious public health problem. It is accompanied by many changes, not only in the bones, but practically in all organs of the body. Since it was discovered that oxidation stress, together with the peroxidation of lipids which accompanies it, results in many diseases, research has been carried out on this aspect of fluorosis. The findings, however, are incomplete and divergent. The aim of our study was to determine the presence of free radicals in hepatocytes exposed to fluoride in concentrations which do not lead to changes in the concentrations of calcium and magnesium ions. Free radical properties of hepatocytes incubated with fluoride were studied by an X-band electron paramagnetic resonance (EPR) spectroscopy. Hepatocytes are paramagnetic and broad unsymmetrical EPR spectra were obtained for them. Oxygen free radicals with g-factor of 2.0032 exist in hepatocytes. The effect of fluoride concentration and the time of incubation on free radicals amount in cells were examined. The amount of free radicals in hepatocytes increases with the increase of fluoride concentration for all the incubation times (10, 30, and 60 min). The amount of free radicals in hepatocytes decreases with the increase of time of incubation for all the used fluoride concentrations (0.002, 0.082, and 0.164 mmol/l). EPR spectra of the studied cells are homogeneously broadened. Continuous microwave saturation of EPR lines indicates that slow spin-lattice relaxation processes exist in the studied cells. Strong dipolar interactions responsible for the broadening (ΔB(pp): 1.45-1.87 mT) of the EPR spectra exist in the hepatocytes. Copyright © 2011 Elsevier Ltd. All rights reserved.

  13. CO{sub 2} doped γ-irradiated hydroxyapatite for EPR dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Ziaie, Farhood [Nuclear Science and Technology Resesarch Institute, Tehran (Iran, Islamic Republic of). Radiation Application Research School

    2014-11-15

    Synthetic nano-structure hydroxyapatite samples were doped by carbon in furnace via exposing to CO{sub 2} circulating gas in different time of 30, 120, and 360 min under 100 C and 400 C of temperatures. FTIR, TEM and XRD analyses results confirmed the doping of carbonate group to the hydroxyapatite structure. The samples were irradiated in absorbed doses of 2, 5, 10, 20, 50, and 80 kGy using a {sup 60}Co γ-ray source and subjected to EPR measurement, subsequently. The EPR signal intensities were constructed as a function of radiation dose, were compared with the results of raw sample and were studied from dosimetric point of view. The obtained results show a considerable increment in EPR signal intensities of the samples which were treated at 400 C. At the doses less than 20 kGy the carbon doped samples show a better EPR respond. This is much better for doses below 5 kGy in comparison to the raw samples and the response is quite linear.

  14. EPR pairing dynamics in Hubbard model with resonant U.

    Science.gov (United States)

    Zhang, X Z; Song, Z

    2016-01-05

    We study the dynamics of the collision between two fermions in Hubbard model with on-site interaction strength U. The exact solution shows that the scattering matrix for two-wavepacket collision is separable into two independent parts, operating on spatial and spin degrees of freedom, respectively. The S-matrix for spin configuration is equivalent to that of Heisenberg-type pulsed interaction with the strength depending on U and relative group velocity vr. This can be applied to create distant EPR pair, through a collision process for two fermions with opposite spins in the case of |vr/U| = 1, without the need for temporal control and measurement process. Multiple collision process for many particles is also discussed.

  15. Application of EPR spectroscopy to the examination of pro-oxidant activity of coffee.

    Science.gov (United States)

    Krakowian, Daniel; Skiba, Dominik; Kudelski, Adam; Pilawa, Barbara; Ramos, Paweł; Adamczyk, Jakub; Pawłowska-Góral, Katarzyna

    2014-05-15

    Free radicals present in coffee may be responsible for exerting toxic effects on an organism. The objectives of this work were to compare free radicals properties and concentrations in different commercially available coffees, in solid and liquid states, and to determine the effect of roasting on the formation of free radicals in coffee beans of various origins. The free radicals content of 15 commercially available coffees (solid and liquid) was compared and the impact of processing examined using electron paramagnetic resonance (EPR) spectroscopy at X-band (9.3 GHz). First derivative EPR spectra were measured at microwave power in the range of 0.7-70 mW. The following parameters were calculated for EPR spectra: amplitude (A), integral intensity (I), and line-width (ΔBpp); g-Factor was obtained from resonance condition. Our study showed that free radicals exist in green coffee beans (10(16) spin/g), roasted coffee beans (10(18) spin/g), and in commercially available coffee (10(17)-10(18) spin/g). Free radical concentrations were higher in solid ground coffee than in instant or lyophilised coffee. Continuous microwave saturation indicated homogeneous broadening of EPR lines from solid and liquid commercial coffee samples as well as green and roasted coffee beans. Slow spin-lattice relaxation processes were found to be present in all coffee samples tested, solid and liquid commercial coffees as well as green and roasted coffee beans. Higher free radicals concentrations were obtained for both the green and roasted at 240 °C coffee beans from Peru compared with those originating from Ethiopia, Brazil, India, or Colombia. Moreover, more free radicals occurred in Arabica coffee beans roasted at 240 °C than Robusta. EPR spectroscopy is a useful method of examining free radicals in different types of coffee. Copyright © 2013 Elsevier Ltd. All rights reserved.

  16. A study of the x-irradiated Cs sub 5 H sub 3 (SO sub 4) sub 4 centre dot H sub 2 O crystal by EPR in the 80-415 K temperature range

    CERN Document Server

    Waplak, S; Baranov, A I; Shuvalov, L A

    1997-01-01

    The EPR spectra of the x-irradiated fast proton conductor Cs sub 5 H sub 3 (SO sub 4) sub 4 centre dot H sub 2 O were investigated in the temperature range of 80-415 K. Two kinds of paramagnetic SO sub 4 sup - centres with different proton configurations below about 370 K and freeze-out behaviour of one of them below about 200 K were observed. The role of acid proton dynamics with respect to the glassy-like transition is discussed. (author)

  17. EPR paradox, quantum nonlocality and physical reality

    Science.gov (United States)

    Kupczynski, M.

    2016-03-01

    Eighty years ago Einstein, Podolsky and Rosen demonstrated that instantaneous reduction of wave function, believed to describe completely a pair of entangled physical systems, led to EPR paradox. The paradox disappears in statistical interpretation of quantum mechanics (QM) according to which a wave function describes only an ensemble of identically prepared physical systems. QM predicts strong correlations between outcomes of measurements performed on different members of EPR pairs in far-away locations. Searching for an intuitive explanation of these correlations John Bell analysed so called local realistic hidden variable models and proved that correlations consistent with these models satisfy Bell inequalities which are violated by some predictions of QM and by experimental data. Several different local models were constructed and inequalities proven. Some eminent physicists concluded that Nature is definitely nonlocal and that it is acting according to a law of nonlocal randomness. According to these law perfectly random, but strongly correlated events, can be produced at the same time in far away locations and a local and causal explanation of their occurrence cannot be given. We strongly disagree with this conclusion and we prove the contrary by analysing in detail some influential finite sample proofs of Bell and CHSH inequalities and so called Quantum Randi Challenges. We also show how one can win so called Bell's game without violating locality of Nature. Nonlocal randomness is inconsistent with local quantum field theory, with standard model in elementary particle physics and with causal laws and adaptive dynamics prevailing in the surrounding us world. The experimental violation of Bell-type inequalities does not prove the nonlocality of Nature but it only confirms a contextual character of quantum observables and gives a strong argument against counterfactual definiteness and against a point of view according to which experimental outcomes are produced

  18. Investigations for the EPR-concept - KAPOOL and KATS experiments

    Energy Technology Data Exchange (ETDEWEB)

    Engel, G.; Eppinger, B.; Fieg, G.; Schmidt-Stiefel, S. [Forschungszentrum Karlsruhe GmbH Technik und Umwelt (Germany). Inst. fuer Kern- und Energietechnik; Messainguiral, C.; Prothmann, N.; Raupp, D.; Schuetz, W. [Forschungszentrum Karlsruhe GmbH Technik und Umwelt (Germany). Inst. fuer Reaktorsicherheit; Stegmaier, U. [Forschungszentrum Karlsruhe GmbH Technik und Umwelt (Germany). Inst. fuer Materialforschung 1 - Angewandte Werkstoffphysik; Massier, H. [Forschungszentrum Karlsruhe GmbH Technik und Umwelt (Germany). Inst. fuer Hochleistungsimpuls- und Mikrowellentechnik; Stern, G.; Veser, A. [Fa. Pro-Science (Germany)

    2000-08-01

    The objective of the KAPOOL and KATS experiments is to investigate basic phenomena in connection with the EPR melt spreading and cooling concept. High-temperature Al{sub 2}O{sub 3}- and Fe-melts produced by the thermite reaction are used to simulate the oxidic and metallic components of the core melt. Two KAPOOL tests have been performed to study the interaction of the oxidic melt with the release gate which is situated between the cavity and the spreading compartment. These tests have been analyzed with the HEATING-5 code and compared with the experimental results. With test KATS-17 (spreading onto dry concrete for the oxide melt, spreading onto concrete with 1 mm water level for the metallic melt) the series of two-dimensional spreading experiments has been finished. KATS-15 (2-dim spreading on dry ceramics) has been analyzed with the code CORFLOW. (orig.) [German] In den KAPOOL- und KATS-Experimenten werden grundlegende Phaenomene des EPR-Konzepts zur Ausbreitung und Kuehlung der Kernschmelze untersucht. Die oxidische und metallische Komponente der Kernschmelze werden dabei durch mittels der Thermit-Reaktion erzeugte Al{sub 2}O{sub 3}- und Fe-Schmelzen simuliert. In zwei KAPOOL-Tests wurde die Wechselwirkung der oxidischen Schmelze mit dem Schmelztor untersucht, das den Ausbreitungsraum von der Kaverne trennt. Diese Experimente wurden mit Hilfe des HEATING-5 Codes analysiert und mit den experimentellen Resultaten verglichen. Mit KATS-17 (2-dim Ausbreitung der Oxidschmelze auf trockenen Beton, 2-dim Ausbreitung der metallischen Schmelze auf Beton mit einer 1 mm Wasserschicht) wurde die Serie der zwei-dimensionalen Ausbreitungsexperimente abgeschlossen. KATS-15 (2-dim Ausbreitung auf einer trockenen Keramikflaeche) wurde mit Hilfe des CORFLOW-Codes analysiert. (orig.)

  19. EPR study of the low-spin state of Ru3+in the YAl3(BO3)4 and EuAl3(BO3)4 aluminum borates

    Science.gov (United States)

    Prokhorov, A. A.; Chernush, L. F.; Dyakonov, V. P.; Szymczak, H.; Prokhorov, A. D.

    2016-12-01

    New data on the ground state of impurity Ru3+ ions in the crystals of YAl3(BO3)4 and EuAl3(BO3)4 aluminum borates were obtained. It was shown that Ru3+ ion replaces trivalent rare-earth ions without breaking the symmetry of the site. The crystal field acting on 4d5 ions forms an EPR spectrum, which is described by the spin Hamiltonian with S=1/2. The spin-Hamiltonian parameters determined are equal to gII=1.963, g⊥=3.796, AII=43.03*10-4 cm-1, A⊥=84.86*10-4 cm-1 in the YAl3(BO3)4 crystal (at T=15 K) and gII=2.016, g⊥=3.796 in the EuAl3(BO3)4 crystal (at T=15 K). It is found that the value of ∆g=gII-g⊥ is an indicator of distortions of nearest environment of Ru3+ ion. The angle between the C3 axis and the direction into nearest oxygen ion was determined. The EPR linewidth of Ru3+ ion increases with increasing temperature due to the dipole-dipole and exchange interactions with the excited states of the host lattice Ru3+ ion.

  20. 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.

  1. Development of a new dosimeter of EPR based on lactose; Desarrollo de un nuevo dosimetro de RPE basado en lactosa

    Energy Technology Data Exchange (ETDEWEB)

    Cruz C, L.; Torijano C, E.; Azorin N, J.; Aguirre G, F. [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 Mexico D. F. (Mexico); Cruz Z, E., E-mail: eftc@xanum.uam.mx [UNAM, Instituto de Ciencias Nucleares, Circuito Exterior, Ciudad Universitaria, 04510 Mexico D. F. (Mexico)

    2014-08-15

    50 years have passed since was proposed using the amino acid alanine as dosimeter advantage the phenomenon of electron paramagnetic resonance (EPR); this dosimetric method has reached a highly competitive level regarding others dosimetry classic methods, for example the thermoluminescence or the use of Fricke dosimeters, to measure high dose of radiation. In this type of materials, the free radicals induced by the radiation are stable and their concentration is proportional to the absorbed dose may be determined by the amplitude pick to pick of the first derived of the EPR absorption spectrum. The obtained results studying the EPR response of lactose tablets elaborated in the Universidad Autonoma Metropolitana, Unidad Iztapalapa are presented. The tablets were irradiated with gamma radiation of {sup 60}Co in the irradiator Gamma beam 651-Pt of the Instituto de Ciencias Nucleares de la Universidad Nacional Autonoma de Mexico to a dose rate of 8 kGy-h{sup -1} and their EPR response in a EPR spectrometer e-scan Bruker. The obtained response in function of the dose was lineal in the interval of 1 at 10 kGy. The lactose sensibility was compared with the l-alanine, used as reference, and the result was consistently 0.25 of this. Due to the linearity shown in the interval of used dose and their low production cost, we conclude that the lactose is a promissory option for the dosimetry of high dose of radiation. (author)

  2. High-Gain High-Field Fusion Plasma

    Science.gov (United States)

    Li, Ge

    2015-01-01

    A Faraday wheel (FW)—an electric generator of constant electrical polarity that produces huge currents—could be implemented in an existing tokamak to study high-gain high-field (HGHF) fusion plasma, such as the Experimental Advanced Superconducting Tokamak (EAST). HGHF plasma can be realized in EAST by updating its pulsed-power system to compress plasma in two steps by induction fields; high gains of the Lawson trinity parameter and fusion power are both predicted by formulating the HGHF plasma. Both gain rates are faster than the decrease rate of the plasma volume. The formulation is checked by earlier ATC tests. Good agreement between theory and tests indicates that scaling to over 10 T at EAST may be possible by two-step compressions with a compression ratio of the minor radius of up to 3. These results point to a quick new path of fusion plasma study, i.e., simulating the Sun by EAST. PMID:26507314

  3. Reconfiguring Cooperative Work by Visualizing EPR on Large Projected Screens

    DEFF Research Database (Denmark)

    Simonsen, Jesper

    Simonsen, J. (2006): Reconfiguring Cooperative Work by Visualizing EPR on Large Projected Screens, Paper presented at the PDC 2006 workshop on: Reconfiguring Healthcare: Issues in Computer Supported Cooperative Work in Healthcare Environments. Participatory Design Conference, Trento, Italy, August...

  4. EPR-based distance measurements at ambient temperature

    Science.gov (United States)

    Krumkacheva, Olesya; Bagryanskaya, Elena

    2017-07-01

    Pulsed dipolar (PD) EPR spectroscopy is a powerful technique allowing for distance measurements between spin labels in the range of 2.5-10.0 nm. It was proposed more than 30 years ago, and nowadays is widely used in biophysics and materials science. Until recently, PD EPR experiments were limited to cryogenic temperatures (T biomolecules, the influence of a linker between the spin probe and biomolecule, and future opportunities.

  5. ER=EPR, GHZ, and the Consistency of Quantum Measurements

    OpenAIRE

    Susskind, Leonard

    2014-01-01

    This paper illustrates various aspects of the ER=EPR conjecture.It begins with a brief heuristic argument, using the Ryu-Takayanagi correspondence, for why entanglement between black holes implies the existence of Einstein-Rosen bridges. The main part of the paper addresses a fundamental question: Is ER=EPR consistent with the standard postulates of quantum mechanics? Naively it seems to lead to an inconsistency between observations made on entangled systems by different observers. The resolu...

  6. Application of EPR Spectroscopy to Examination of the Effect of Sterilization Process on Free Radicals in Different Herbs

    OpenAIRE

    Paw?owska-G?ral, Katarzyna; Ramos, Pawe?; Pilawa, Barbara; Kurzeja, Ewa

    2013-01-01

    Free radicals in the original and sterilized caraway, curry, curcuma and cardamom were studied. An X-band (9.3?GHz) electron paramagnetic resonance (EPR) spectroscopy was the experimental technique. Effect of microwave power in the range of 2.2?70?mW on amplitudes, linewidths, and lineshape parameters of the EPR spectra was tested. Free radicals concentrations in the non- and sterilized herb samples were compared. The aim of this work was to determine properties and concentration of free radi...

  7. Diffuse axonal injury at ultra-high field MRI.

    Directory of Open Access Journals (Sweden)

    Christoph Moenninghoff

    Full Text Available Diffuse axonal injury (DAI is a specific type of traumatic brain injury caused by shearing forces leading to widespread tearing of axons and small vessels. Traumatic microbleeds (TMBs are regarded as a radiological marker for DAI. This study aims to compare DAI-associated TMBs at 3 Tesla (T and 7 T susceptibility weighted imaging (SWI to evaluate possible diagnostic benefits of ultra-high field (UHF MRI.10 study participants (4 male, 6 female, age range 20-74 years with known DAI were included. All MR exams were performed with a 3 T MR system (Magnetom Skyra and a 7 T MR research system (Magnetom 7 T, Siemens AG, Healthcare Sector, Erlangen, Germany each in combination with a 32-channel-receive coil. The average time interval between trauma and imaging was 22 months. Location and count of TMBs were independently evaluated by two neuroradiologists on 3 T and 7 T SWI images with similar and additionally increased spatial resolution at 7 T. Inter- and intraobserver reliability was assessed using the interclass correlation coefficient (ICC. Count and diameter of TMB were evaluated with Wilcoxon signed rank test.Susceptibility weighted imaging revealed a total of 485 TMBs (range 1-190, median 25 at 3 T, 584 TMBs (plus 20%, range 1-262, median 30.5 at 7 T with similar spatial resolution, and 684 TMBs (plus 41%, range 1-288, median 39.5 at 7 T with 10-times higher spatial resolution. Hemorrhagic DAI appeared significantly larger at 7 T compared to 3 T (p = 0.005. Inter- and intraobserver correlation regarding the counted TMB was high and almost equal 3 T and 7 T.7 T SWI improves the depiction of small hemorrhagic DAI compared to 3 T and may be supplementary to lower field strengths for diagnostic in inconclusive or medicolegal cases.

  8. Survey of high field superconducting material for accelerator magnets

    Energy Technology Data Exchange (ETDEWEB)

    Scahlan, R.; Greene, A.F.; Suenaga, M.

    1986-05-01

    The high field superconductors which could be used in accelerator dipole magnets are surveyed, ranking these candidates with respect to ease of fabrication and cost as well as superconducting properties. Emphasis is on Nb/sub 3/Sn and NbTi. 27 refs., 2 figs. (LEW)

  9. National Program on High Field Accelerator Magnet R&D

    Energy Technology Data Exchange (ETDEWEB)

    Apollinari, G. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Cooley, L. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Zlobin, A. V. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Caspi, S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Gourlay, S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Prestemon, S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Larbalestier, D. [National High Magnetic Field Laboratory, Tallahassee, FL (United States); Gupta, R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Wanderer, P. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-09-26

    A National High-Field Magnet (HFM) Program is proposed as a thrust of the updated DOE-HEP General Accelerator R&D Program. The program responds to Recommendation 24 of the 2014 Particle Physics Project Prioritization Panel (P5) Report.

  10. Dielectric shimming : exploiting dielectric interactions in High Field MRI

    NARCIS (Netherlands)

    Brink, Wyger Maurits

    2016-01-01

    This thesis reports on the utility of high permittivity dielectric materials for adjusting the radiofrequency (RF) field in high field MR. The performance-driven trend towards higher static magnetic field strengths drives MR operation into the regime where the dimensions of the body section being

  11. Emergency Preservation and Resuscitation for Cardiac Arrest from Trauma (EPR-CAT)

    Science.gov (United States)

    2015-10-01

    Award Number: W81XWH-07-1-0682 TITLE: Emergency Preservation and Resuscitation for Cardiac Arrest from Trauma (EPR-CAT) PRINCIPAL INVESTIGATOR...COVERED (From - To) 26 SEP 2014 – 25 SEP 2015 4. TITLE AND SUBTITLE Emergency Preservation and Resuscitation for Cardiac Arrest 5a. CONTRACT NUMBER From...study. It was felt that patients who arrive at the hospital with a pulse, but then develop cardiac arrest in the operating room, rather than in the

  12. Beyond the EPR: Complementary roles of the hospital-wide electronic health record and clinical departmental systems

    Science.gov (United States)

    2009-01-01

    Background Many hospital departments have implemented small clinical departmental systems (CDSs) to collect and use patient data for documentation as well as for other department-specific purposes. As hospitals are implementing institution-wide electronic patient records (EPRs), the EPR is thought to be integrated with, and gradually substitute the smaller systems. Many EPR systems however fail to support important clinical workflows. Also, successful integration of systems has proven hard to achieve. As a result, CDSs are still in widespread use. This study was conducted to see which tasks are supported by CDSs and to compare this to the support offered by the EPR. Methods Semi-structured interviews with users of 16 clinicians using 15 different clinical departmental systems (CDS) at a Medium-sized University hospital in Norway. Inductive analysis of transcriptions from the audio taped interviews. Results The roles of CDSs were complementary to those of the hospital-wide EPR system. The use of structured patient data was a characteristic feature. This facilitated quality development and supervision, tasks that were poorly supported by the EPR system. The structuring of the data also improved filtering of information to better support clinical decision-making. Because of the high value of the structured patient data, the users put much effort in maintaining their integrity and representativeness. Employees from the departments were also engaged in the funding, development, implementation and maintenance of the systems. Conclusion Clinical departmental systems are vital to the activities of a clinical hospital department. The development, implementation and clinical use of such systems can be seen as bottom-up, user-driven innovations. PMID:19523198

  13. EPR experiment and 2-photon interferometry: Report of a 2-photon interference experiment

    Science.gov (United States)

    Shih, Y. H.; Rubin, M. H.; Sergienko, A. V.

    1992-01-01

    After a very brief review of the historical Einstein, Podolsky, and Rosen (EPR) experiments, a new two-photon interference type EPR experiment is reported. A two-photon state was generated by optical parametric down conversion. Pairs of light quanta with degenerate frequency but divergent directions of propagation were sent to two independent Michelson interferometers. First and second order interference effectors were studied. Different than other reports, we observed that the second order interference visibility vanished when the optical path difference of the interferometers were much less than the coherence length of the pumping laser beam. However, we also observed that the second order interference behaved differently depending on whether the interferometers were set at equal or different optical path differences.

  14. Solid-state NMR and EPR Spectroscopy of Mn2+ -Substituted ATP-Fueled Protein Engines.

    Science.gov (United States)

    Wiegand, Thomas; Lacabanne, Denis; Keller, Katharina; Cadalbert, Riccardo; Lecoq, Lauriane; Yulikov, Maxim; Terradot, Laurent; Jeschke, Gunnar; Meier, Beat H; Böckmann, Anja

    2017-03-13

    Paramagnetic metal ions deliver structural information both in EPR and solid-state NMR experiments, offering a profitable synergetic approach to study bio-macromolecules. We demonstrate the spectral consequences of Mg2+ / Mn2+ substitution and the resulting information contents for two different ATP:Mg2+ -fueled protein engines, a DnaB helicase from Helicobacter pylori active in the bacterial replisome, and the ABC transporter BmrA, a bacterial efflux pump. We show that, while EPR spectra report on metal binding and provide information on the geometry of the metal centers in the proteins, paramagnetic relaxation enhancements identified in the NMR spectra can be used to localize residues at the binding site. Protein engines are ubiquitous and the methods described herein should be applicable in a broad context. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Delocalisation of photoexcited triplet states probed by transient EPR and hyperfine spectroscopy

    Science.gov (United States)

    Richert, Sabine; Tait, Claudia E.; Timmel, Christiane R.

    2017-07-01

    Photoexcited triplet states play a crucial role in photochemical mechanisms: long known to be of paramount importance in the study of photosynthetic reaction centres, they have more recently also been shown to play a major role in a number of applications in the field of molecular electronics. Their characterisation is crucial for an improved understanding of these processes with a particular focus on the determination of the spatial distribution of the triplet state wavefunction providing information on charge and energy transfer efficiencies. Currently, active research in this field is mostly focussed on the investigation of materials for organic photovoltaics (OPVs) and organic light emitting diodes (OLEDs). As the properties of triplet states and their spatial extent are known to have a major impact on device performance, a detailed understanding of the factors governing triplet state delocalisation is at the basis of the further development and improvement of these devices. Electron Paramagnetic Resonance (EPR) has proven a valuable tool in the study of triplet state properties and both experimental methods as well as data analysis and interpretation techniques have continuously improved over the last few decades. In this review, we discuss the theoretical and practical aspects of the investigation of triplet states and triplet state delocalisation by transient continuous wave and pulse EPR and highlight the advantages and limitations of the presently available techniques and the current trends in the field. Application of EPR in the study of triplet state delocalisation is illustrated on the example of linear multi-porphyrin chains designed as molecular wires.

  16. Structural Characterization of Polymer-Clay Nanocomposites Prepared by Co-Precipitation Using EPR Techniques

    Directory of Open Access Journals (Sweden)

    Udo Kielmann

    2014-02-01

    Full Text Available Polymer-clay nanocomposites (PCNCs containing either a rubber or an acrylate polymer were prepared by drying or co-precipitating polymer latex and nanolayered clay (synthetic and natural suspensions. The interface between the polymer and the clay nanoparticles was studied by electron paramagnetic resonance (EPR techniques by selectively addressing spin probes either to the surfactant layer (labeled stearic acid or the clay surface (labeled catamine. Continuous-wave (CW EPR studies of the surfactant dynamics allow to define a transition temperature T* which was tentatively assigned to the order-disorder transition of the surfactant layer. CW EPR studies of PCNC showed that completely exfoliated nanoparticles coexist with agglomerates. HYSCORE spectroscopy in PCNCs showed couplings within the probe −assigned with DFT computations− and couplings with nuclei of the environment, 1H and 23Na for the surfactant layer probe, and 29Si, 7Li, 19F and 23Na for the clay surface probe. Analysis of these couplings indicates that the integrity of the surfactant layer is conserved and that there are sizeable ionic regions containing sodium ions directly beyond the surfactant layer. Simulations of the very weak couplings demonstrated that the HYSCORE spectra are sensitive to the composition of the clay and whether or not clay platelets stack.

  17. Crystal field interactions studied by high-field magnetization

    Energy Technology Data Exchange (ETDEWEB)

    Radwanski, R.J.; Franse, J.J.M. (Van der Waals-Zeeman Lab., Univ. Amsterdam (Netherlands))

    1992-03-01

    The effect of crystalline electric field (CEF) interactions of the 4f ions on the magnetization process is reviewed for some intermetallic compounds. Special emphasis is given to metamagnetic transitions. The transitions in Ho{sub 2}Co{sub 17} are exchange-driven transitions associated with the formation of a non-collinear magnetic structure in contrast to the transition found in DyCo{sub 2}Si{sub 2} that is of a level-crossing type. The transition found in Pr{sub 2}Fe{sub 14}B results from a competition between lower and higher order crystal field terms. The formation of the rare earth moment under the action of CEF and exchange interactions as well as of external fields is analyzed. (orig.).

  18. Mechanical design of a high field common coil magnet

    CERN Document Server

    Caspi, S; Dietderich, D R; Gourlay, S A; Gupta, R; McInturff, A; Millos, G; Scanlan, R M

    1999-01-01

    A common coil design for high field 2-in-1 accelerator magnets has been previously presented as a "conductor-friendly" option for high field magnets applicable for a Very Large Hadron Collider. This paper presents the mechanical design for a 14 tesla 2-in-1 dipole based on the common coil design approach. The magnet will use a high current density Nb/sub 3/Sn conductor. The design addresses mechanical issues particular to the common coil geometry: horizontal support against coil edges, vertical preload on coil faces, end loading and support, and coil stresses and strains. The magnet is the second in a series of racetrack coil magnets that will provide experimental verification of the common coil design approach. (9 refs).

  19. Mechanical design of a high field common coil magnet

    Energy Technology Data Exchange (ETDEWEB)

    Caspi, S.; Chow, K.; Dietderich, D.; Gourlay, S.; Gupta, R.; McInturff, A.; Millos, G.; Scanlan, R.

    1999-03-18

    A common coil design for high field 2-in-1 accelerator magnets has been previously presented as a 'conductor-friendly' option for high field magnets applicable for a Very Large Hadron Collider. This paper presents the mechanical design for a 14 tesla 2-in-1 dipole based on the common coil design approach. The magnet will use a high current density Nb{sub 3}Sn conductor. The design addresses mechanical issues particular to the common coil geometry: horizontal support against coil edges, vertical preload on coil faces, end loading and support, and coil stresses and strains. The magnet is the second in a series of racetrack coil magnets that will provide experimental verification of the common coil design approach.

  20. Bacterial recovery and recycling of tellurium from tellurium-containing compounds by Pseudoalteromonas sp. EPR3.

    Science.gov (United States)

    Bonificio, W D; Clarke, D R

    2014-11-01

    Tellurium-based devices, such as photovoltaic (PV) modules and thermoelectric generators, are expected to play an increasing role in renewable energy technologies. Tellurium, however, is one of the scarcest elements in the earth's crust, and current production and recycling methods are inefficient and use toxic chemicals. This study demonstrates an alternative, bacterially mediated tellurium recovery process. We show that the hydrothermal vent microbe Pseudoalteromonas sp. strain EPR3 can convert tellurium from a wide variety of compounds, industrial sources and devices into metallic tellurium and a gaseous tellurium species. These compounds include metallic tellurium (Te(0)), tellurite (TeO3(2-)), copper autoclave slime, tellurium dioxide (TeO2), tellurium-based PV material (cadmium telluride, CdTe) and tellurium-based thermoelectric material (bismuth telluride, Bi2Te3). Experimentally, this was achieved by incubating these tellurium sources with the EPR3 in both solid and liquid media. Despite the fact that many of these tellurium compounds are considered insoluble in aqueous solution, they can nonetheless be transformed by EPR3, suggesting the existence of a steady state soluble tellurium concentration during tellurium transformation. These experiments provide insights into the processes of tellurium precipitation and volatilization by bacteria, and their implications on tellurium production and recycling. © 2014 The Society for Applied Microbiology.

  1. Camel molar tooth enamel response to gamma rays using EPR spectroscopy.

    Science.gov (United States)

    El-Faramawy, N A; El-Somany, I; Mansour, A; Maghraby, A M; Eissa, H; Wieser, A

    2017-10-12

    Tooth enamel samples from molar teeth of camel were prepared using a combined procedure of mechanical and chemical tooth treatment. Based on electron paramagnetic resonance (EPR) spectroscopy, the dose response of tooth enamel samples was examined and compared to that of human enamel. The EPR dose response of the tooth enamel samples was obtained through irradiation to gamma doses from 1 Gy up to 100 kGy. It was found that the radiation-induced EPR signal increased linearly with gamma dose for all studied tooth enamel samples, up to about 15 kGy. At higher doses, the dose response curve leveled off. The results revealed that the location of the native signal of camel tooth enamel was similar to that of enamel from human molars at 2.00644, but different from that of enamel from cows and goats. In addition, the peak-to-peak width (ΔH pp) for human and camel molar teeth was similar. It was also found that the response of camel enamel to gamma radiation was 36% lower than that of human enamel. In conclusion, the results indicate the suitability of camel teeth for retrospective gamma dosimetry.

  2. Mapping ischemic risk region and necrosis in the isolated heart using EPR imaging.

    Science.gov (United States)

    Velayutham, Murugesan; Li, Haiquan; Kuppusamy, Periannan; Zweier, Jay L

    2003-06-01

    Reperfusion of ischemic tissue is a common event in the treatment of heart attack and stroke. To study disease pathogenesis, methods are required to measure tissue perfusion and area at risk, as well as localized regions of injury. While histology can provide this information, its destructive nature precludes assessment of time course. Thus, there is a critical need for a noninvasive technique to obtain this information. To map myocardial redox state as a possible index of cellular ischemia and viability, electron paramagnetic resonance (EPR) imaging experiments were performed on isolated rat hearts before and after the onset of regional ischemia using nitroxide spin labels. With coronary artery occlusion, the EPR images clearly showed the risk region as a void of lower intensity that reversed upon reperfusion. The extent of risk region in the heart was similar in EPR imaging and histological measurements. The unique information obtained regarding the time course of changes in redox metabolism of the risk region and normal myocardium can provide important insights regarding the mechanisms of myocardial injury during and following ischemia. Copyright 2003 Wiley-Liss, Inc.

  3. High-field Faraday rotation in II-VI-based semimagnetic semiconductors

    NARCIS (Netherlands)

    Savchuk, AI; Fediv, [No Value; Nikitin, PI; Perrone, A; Tatzenko, OM; Platonov, VV

    The effects of d-d exchange interaction have been studied by measuring high-field Faraday rotation in II-VI-based semimagnetic semiconductors. For Cd1-xMnxTe crystals with x = 0.43 and at room temperature a saturation in magnetic field dependence of the Faraday rotation has been observed. In the

  4. ER=EPR, GHZ, and the consistency of quantum measurements

    Energy Technology Data Exchange (ETDEWEB)

    Susskind, Leonard [Stanford Institute for Theoretical Physics and Department of Physics, Stanford University, Stanford, CA (United States)

    2016-01-15

    This paper illustrates various aspects of the ER=EPR conjecture. It begins with a brief heuristic argument, using the Ryu-Takayanagi correspondence, for why entanglement between black holes implies the existence of Einstein-Rosen bridges. The main part of the paper addresses a fundamental question: Is ER=EPR consistent with the standard postulates of quantum mechanics? Naively it seems to lead to an inconsistency between observations made on entangled systems by different observers. The resolution of the paradox lies in the properties of multiple black holes, entangled in the Greenberger-Horne-Zeilinger pattern. The last part of the paper is about entanglement as a resource for quantum communication. ER=EPR provides a way to visualize protocols like quantum teleportation. In some sense teleportation takes place through the wormhole, but as usual, classical communication is necessary to complete the protocol. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Retrospective dosimetry using EPR and TL techniques: a status report

    Energy Technology Data Exchange (ETDEWEB)

    Haskell, E.H.

    1996-12-31

    Methods of retrospective dosimetry, including luminescence and electron paramagnetic resonance spectroscopy (EPR), rely on measurement of accident dose absorbed by naturally occurring materials - ceramics in the case of both thermoluminescence (TL) and optically stimulated luminescence (OSL) and organic materials and bio- minerals in the case of EPR. Each of these methods relies on measurement of radiation defects resulting from accidental exposure. Since defects also result from natural sources of radiation over the lifetime of a sample, analysis is usually restricted to materials for which the natural dose may be determined and subtracted from the measured cumulative dose. Luminescence dating techniques rely heavily on an accurate assessment of cumulative dose from natural radiation sources, and dating research has provided us with the bulk of our knowledge in this area. Virtually all of the work on natural dose determination can be directly applied to retrospective techniques. With EPR techniques the cumulative dose from diagnostic x- rays is also of importance.

  6. Development of fire protection standards for the EPR project

    Energy Technology Data Exchange (ETDEWEB)

    Frank, H.J. [Nuclear Power International, Paris (France); Kaercher, M. [Electricite de France (EDF), 69 - Villeurbanne (France); Wittmann, R. [Siemens AG Energieerzeugung KWU, Erlangen (Germany)

    2000-05-01

    In 1989 Framatome and Siemens decided by setting up their joint subsidiary NPI (Nuclear Power International) to co-operate in designing a new European Pressurised Water Reactor, the EPR. French and German utilities decided to participate in this project. In parallel to the co-operation on supplier's and utility's side, the French and German safety authorities and safety experts wanted to work closely together in order to harmonise and further develop the outstanding safety standards in France and Germany. An organisation has been set up to elaborate common codes related to the EPR design, at the level of the French design and construction rules (RCC) of the German KTA safety standards and DIN standards for nuclear technology, the so-called EPR technical codes (ETC). In this context the decision was made to develop a new fire protection code, the ETC-F, which should be harmonised between France and Germany. The article gives an insight in the developing process of the ETC-F and an outlook on existing and perhaps further national activities. (orig.) [German] Mit der Gruendung der NPI (Nuclear Power International) im Jahr 1989 haben Framatome und Siemens ihre Zusammenarbeit bei der Entwicklung eines neuen Europaeischen Druckwasser-Reaktors (EPR) vereinbart und fuer dieses Projekt eine Beteiligung von Energieversorgungsunternehmen aus Frankreich und Deutschland erreicht. Zeitgleich hierzu haben sich atomrechtliche Genehmigungsbehoerden und Gutachter beider Laender abgesprochen, ebenfalls eng zusammen zu arbeiten, um ihre zukuenftigen Anforderungen nach Moeglichkeit zu harmonisieren. Fuer den EPR sollten deshalb gemeinsame Vorschriften, sog. 'EPR technical codes (ETCs)' erarbeitet werden, welche einen vergleichbaren Tiefgang, wie die bestehenden franzoesischen (RCC) und deutschen (KTA) sicherheitstechnischen Regeln sowie die deutschen kerntechnischen Industrienormen (DIN) haben sollten. Hierzu gehoerte auch eine Brandschutzvorschrift, der ETC

  7. The value of high-field MRI (3 T) in the assessment of sellar lesions

    Energy Technology Data Exchange (ETDEWEB)

    Pinker, K. [Department of Diagnostic Radiology, Medical University Vienna, Waehringer Guertel 18-20, 1090 Vienna (Austria); Ba-Ssalamah, A. [Department of Diagnostic Radiology, Medical University Vienna, Waehringer Guertel 18-20, 1090 Vienna (Austria); Wolfsberger, S. [Department of Neurosurgery, Medical University Vienna (Austria); Mlynarik, V. [Department of Diagnostic Radiology, Medical University Vienna, Waehringer Guertel 18-20, 1090 Vienna (Austria); Knosp, E. [Department of Neurosurgery, Medical University Vienna (Austria); Trattnig, S. [Department of Diagnostic Radiology, Medical University Vienna, Waehringer Guertel 18-20, 1090 Vienna (Austria)]. E-mail: siegfried.trattnig@univie.ac.at

    2005-06-01

    The aim of this study was the evaluation of the normal sellar anatomy in vitro and in vivo with high-field MRI and its application in the diagnosis of sellar pathologies in comparison to standard MRI. All high-field MR images were obtained using a 3 T Bruker Medspec 30/80 Scanner with a head birdcage transmit/receive coil and an actively shielded gradient system with a maximum gradient strength of 45 mT/m. Firstly an in vitro study of the sella turcica was performed to depict normal pituitary and sellar anatomy at high field. After a pilot-study this sequence-protocol was established: A RARE sequence (TR/TE = 7790/19 ms; matrix size, 512 x 512; RARE factor = 8, FOV, 200 mm) was used for T2-weighted coronal, axial and sagittal images. A 3D gradient echo sequence with magnetization-preparation (MP-RAGE, TR/TE/TI 33.5/7.6/800 ms, matrix size, 512 x 512; FOV, 200 mm, effective slice thickness, 1.88 mm; 3 averages) was used for acquisition of T1-weighted pre- and post-contrast images. Between January 2002 and March 200458 patients were enrolled in this study. Seven patients were examined for suspected microadenoma and in 51 patients 3T MRI was used to obtain additional information about the sellar lesion already known to be present from standard MRI. In 21 cases the accuracy of the imaging findings was assessed afterwards by comparison with intraoperative findings. The infiltration of the medial cavernous sinus wall was suspected on standard MRI on 15 sides (47%), on high-field MRI on 9 sides (28%) and could be verified by intraoperative findings on 6 sides (19%). Accordingly, sensitivity to infiltration was 83% for 3 T and 67% for standard MRI. Specificity was 84% for 3 T and 58% for standard MRI. Moreover, high-field MRI revealed microadenomas in 7 patients with a median diameter of 4 mm (range 2-9 mm). The segments of the cranial nerves were seen as mean 4 hypointense spots (range 2-5 spots) on high-field MRI in contrast to 3 spots (range 0-4 spots) on standard MRI

  8. 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

    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 concentrat......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...

  9. Homogenous BSCCO-2212 Round Wires for Very High Field Magnets

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Scott Campbell

    2012-06-30

    The performance demands on modern particle accelerators generate a relentless push towards higher field magnets. In turn, advanced high field magnet development places increased demands on superconducting materials. Nb3Sn conductors have been used to achieve 16 T in a prototype dipole magnet and are thought to have the capability for {approx}18 T for accelerator magnets (primarily dipoles but also higher order multipole magnets). However there have been suggestions and proposals for such magnets higher than 20 T. The High Energy Physics Community (HEP) has identified important new physics opportunities that are enabled by extremely high field magnets: 20 to 50 T solenoids for muon cooling in a muon collider (impact: understanding of neutrinos and dark matter); and 20+ T dipoles and quadrupoles for high energy hadron colliders (impact: discovery reach far beyond present). This proposal addresses the latest SBIR solicitation that calls for grant applications that seek to develop new or improved superconducting wire technologies for magnets that operate at a minimum of 12 Tesla (T) field, with increases up to 15 to 20 T sought in the near future (three to five years). The long-term development of accelerator magnets with fields greater than 20 T will require superconducting wires having significantly better high-field properties than those possessed by current Nb{sub 3}Sn or other A15 based wires. Given the existing materials science base for Bi-2212 wire processing, we believe that Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub y} (Bi-2212) round wires can be produced in km-long piece lengths with properties suitable to meet both the near term and long term needs of the HEP community. The key advance will be the translation of this materials science base into a robust, high-yield wire technology. While the processing and application of A15 materials have advanced to a much higher level than those of the copper oxide-based, high T{sub c} (HTS) counterparts, the HTS materials have

  10. Characterizing EPR-mediated passive drug targeting using contrast-enhanced functional ultrasound imaging

    NARCIS (Netherlands)

    Theek, B.; Gremse, F.; Kunjachan, S.; Fokong, S.; Pola, R.; Pechar, M.; Deckers, R.; Storm, Gerrit; Ehling, J.; Kiessling, F.; Lammers, Twan Gerardus Gertudis Maria

    2014-01-01

    The Enhanced Permeability and Retention (EPR) effect is extensively used in drug delivery research. Taking into account that EPR is a highly variable phenomenon, we have here set out to evaluate if contrast-enhanced functional ultrasound (ceUS) imaging can be employed to characterize EPR-mediated

  11. Application of EPR Spectroscopy to Examination of the Effect of Sterilization Process on Free Radicals in Different Herbs.

    Science.gov (United States)

    Pawłowska-Góral, Katarzyna; Ramos, Paweł; Pilawa, Barbara; Kurzeja, Ewa

    2013-03-01

    Free radicals in the original and sterilized caraway, curry, curcuma and cardamom were studied. An X-band (9.3 GHz) electron paramagnetic resonance (EPR) spectroscopy was the experimental technique. Effect of microwave power in the range of 2.2-70 mW on amplitudes, linewidths, and lineshape parameters of the EPR spectra was tested. Free radicals concentrations in the non- and sterilized herb samples were compared. The aim of this work was to determine properties and concentration of free radicals in steam sterilized caraway, curry, curcuma and cardamom. It was pointed out that free radicals (~10(18) spin/g) exist in both the original and sterilized herbs. Complex free radical system with oxygen and carbon paramagnetic centers characterizes the examined herbs. Homogeneously dipolar broadened EPR spectra were measured for all the tested herbs. Slow spin-lattice relaxation processes exist in the examined samples. Practical usefulness of EPR method in food technology was discussed.

  12. High-field spin dynamics of antiferromagnetic quantum spin chains

    DEFF Research Database (Denmark)

    Enderle, M.; Regnault, L.P.; Broholm, C.

    2000-01-01

    The characteristic internal order of macroscopic quantum ground states in one-dimensional spin systems is usually not directly accessible, but reflected in the spin dynamics and the field dependence of the magnetic excitations. In high magnetic fields quantum phase transitions are expected. We...... present recent work on the high-field spin dynamics of the S = I antiferromagnetic Heisenberg chains NENP (Haldane ground state) and CsNiCl3 (quasi-1D HAF close to the quantum critical point), the uniform S = 1/2 chain CTS, and the spin-Peierls system CuGeO3. (C) 2000 Elsevier Science B,V. All rights...

  13. The Mechanical Design Optimization of a High Field HTS Solenoid

    Energy Technology Data Exchange (ETDEWEB)

    Lalitha, SL; Gupta, RC

    2015-06-01

    This paper describes the conceptual design optimization of a large aperture, high field (24 T at 4 K) solenoid for a 1.7 MJ superconducting magnetic energy storage device. The magnet is designed to be built entirely of second generation (2G) high temperature superconductor tape with excellent electrical and mechanical properties at the cryogenic temperatures. The critical parameters that govern the magnet performance are examined in detail through a multiphysics approach using ANSYS software. The analysis results formed the basis for the performance specification as well as the construction of the magnet.

  14. An X-band Co{sup 2+} EPR study of Zn{sub 1−x}Co{sub x}O (x=0.005–0.1) nanoparticles prepared by chemical hydrolysis methods using diethylene glycol and denaturated alcohol at 5 K

    Energy Technology Data Exchange (ETDEWEB)

    Misra, Sushil K., E-mail: skmisra@alcor.concordia.ca [Physics Department, Concordia University, Montreal, QC, Canada H3G 1M8 (Canada); Andronenko, S.I. [Physics Institute, Kazan Federal University, Kazan 420008 (Russian Federation); Srinivasa Rao, S.; Chess, Jordan; Punnoose, A. [Department of Physics, Boise State University, Boise, ID 83725-1570 (United States)

    2015-11-15

    EPR investigations on two types of dilute magnetic semiconductor (DMS) ZnO nanoparticles doped with 0.5–10% Co{sup 2+} ions, prepared by two chemical hydrolysis methods, using: (i) diethylene glycol ((CH{sub 2}CH{sub 2}OH){sub 2}O) (NC-rod-like samples), and (ii) denatured ethanol (CH{sub 3}CH{sub 2}OH) solutions (QC-spherical samples), were carried out at X-band (9.5 GHz) at 5 K. The analysis of EPR data for NC samples revealed the presence of several types of EPR lines: (i) two types, intense and weak, of high-spin Co{sup 2+} ions in the samples with Co concentration >0.5%; (ii) surface oxygen vacancies, and (iii) a ferromagnetic resonance (FMR) line. QC samples exhibit an intense FMR line and an EPR line due to high-spin Co{sup 2+} ions. FMR line is more intense, than the corresponding line exhibited by NC samples. These EPR spectra varied for sample with different doping concentrations. The magnetic states of these samples as revealed by EPR spectra, as well as the origin of ferromagnetism DMS samples are discussed. - Highlights: • 5 K X band Co{sup 2+} EPR investigations on QC and NC ZnO dilute magnetic semiconductor nanoparticles. • NC and QC samples exhibited high-spin Co{sup 2+} EPR lines and ferromagnetic resonance line. • NC sample also exhibit line due surface oxygen vacancies. • FMR line is more intense in QC than that in NC samples. • Magnetic states and the origin of ferromagnetism are discussed.

  15. Using PEGylated magnetic nanoparticles to describe the EPR effect in tumor for predicting therapeutic efficacy of micelle drugs.

    Science.gov (United States)

    Chen, Ling; Zang, Fengchao; Wu, Haoan; Li, Jianzhong; Xie, Jun; Ma, Ming; Gu, Ning; Zhang, Yu

    2018-01-08

    Micelle drugs based on a polymeric platform offer great advantages over liposomal drugs for tumor treatment. Although nearly all of the nanomedicines approved in the clinical use can passively target to the tumor tissues on the basis of an enhanced permeability and retention (EPR) effect, the nanodrugs have shown heterogenous responses in the patients. This phenomenon may be traced back to the EPR effect of tumor, which is extremely variable in the individuals from extensive studies. Nevertheless, there is a lack of experimental data describing the EPR effect and predicting its impact on therapeutic efficacy of nanoagents. Herein, we developed 32 nm magnetic iron oxide nanoparticles (MION) as a T2-weighted contrast agent to describe the EPR effect of each tumor by in vivo magnetic resonance imaging (MRI). The MION were synthesized by a thermal decomposition method and modified with DSPE-PEG2000 for biological applications. The PEGylated MION (Fe3O4@PEG) exhibited high r2 of 571 mM-1 s-1 and saturation magnetization (Ms) of 94 emu g-1 Fe as well as long stability and favorable biocompatibility through the in vitro studies. The enhancement intensities of the tumor tissue from the MR images were quantitatively measured as TNR (Tumor/Normal tissue signal Ratio) values, which were correlated with the delay of tumor growth after intravenous administration of the PLA-PEG/PTX micelle drug. The results demonstrated that the group with the smallest TNR values (TNR enhanced by Fe3O4@PEG (d = 32 nm) could be used to predict the therapeutic efficacy of the micelle drugs (d ≤ 32 nm) in a certain period of time. Fe3O4@PEG has a potential to serve as an ideal MRI contrast agent to visualize the EPR effect in patients for accurate medication guidance of micelle drugs in the future treatment of tumors.

  16. Effect of UV irradiation on free radicals in synthetic melanin and melanin biopolymer from Sepia officinalis – EPR examination

    Directory of Open Access Journals (Sweden)

    Zdybel Magdalena

    2015-07-01

    Full Text Available Free radicals in synthetic melanin and melanin from Sepia officinalis were studied by electron paramagnetic resonance (EPR spectroscopy. The effect of time of ultraviolet (UV irradiation on free radicals in these melanins was tested. The samples were exposed to UV during 15, 30, and 60 minutes. EPR spectra were measured with microwaves from an X-band (9.3 GHz in the range of microwave power of 2.2–70 mW. The performed EPR examinations indicate that high concentrations (~1021–1022 spin/g of o-semiquinone free radicals with g factors of 2.0039–2.0045 exist in all the tested samples. For nonirradiated samples, free radical concentration was higher in natural melanin than in synthetic melanin. UV irradiation caused the increase of free radical concentrations in synthetic melanin samples and this effect depends on the time of irradiation. The largest free radical formation in the both melanins was obtained for 60 min of UV irradiation. Free radical concentrations after the UV irradiation of melanins during 30 min were lower than during irradiation by 15 min, and probably this effect was the result of recombination of the radiatively formed free radicals. EPR lines of the tested samples broadened with increasing microwave power, so these lines were homogeneously broadened. The two types of melanins differed in the time of spin-lattice relaxation processes. Slower spin-lattice relaxation processes exist in melanin from Sepia officinalis than in synthetic melanin. UV irradiation did not change the time of spin-lattice relaxation processes in the tested melanins. The performed studies confirmed the usefulness of EPR spectroscopy in cosmetology and medicine.

  17. Copenhagen vs Everett, Teleportation, and ER=EPR

    OpenAIRE

    Susskind, Leonard

    2016-01-01

    Quantum gravity may have as much to tell us about the foundations and interpretation of quantum mechanics as it does about gravity. The Copenhagen interpretation of quantum mechanics and Everett's Relative State Formulation are complementary descriptions which in a sense are dual to one another. My purpose here is to discuss this duality in the light of the of ER=EPR conjecture.

  18. The EPR Paradox: Einstein Scrutinises Quantum Mechanics -28 ...

    Indian Academy of Sciences (India)

    he detailed the Copenhagen interpretation of quantum mechanics. He argued that the EPR paradox does not prove the incompleteness of quantum theory and that the statement "in no way disturbing the system" has to be interpreted differently in quantum mechanics. A measurement on particle P1 changes the very circum-.

  19. Which Parts of a Clinical Process EPR Needs Special Configuration

    DEFF Research Database (Denmark)

    Barlach, Anders; Simonsen, Jesper

    2007-01-01

    which screen types in a clinical process that can be standard configured and which are subject to initial as well as on-going re-configuration. Methods and results: A pilot-project implementing a fully functional clinical process EPR was configured and used at a neurological ward, replacing all paper...

  20. Antioxidant Capacity: Experimental Determination by EPR Spectroscopy and Mathematical Modeling.

    Science.gov (United States)

    Polak, Justyna; Bartoszek, Mariola; Chorążewski, Mirosław

    2015-07-22

    A new method of determining antioxidant capacity based on a mathematical model is presented in this paper. The model was fitted to 1000 data points of electron paramagnetic resonance (EPR) spectroscopy measurements of various food product samples such as tea, wine, juice, and herbs with Trolox equivalent antioxidant capacity (TEAC) values from 20 to 2000 μmol TE/100 mL. The proposed mathematical equation allows for a determination of TEAC of food products based on a single EPR spectroscopy measurement. The model was tested on the basis of 80 EPR spectroscopy measurements of herbs, tea, coffee, and juice samples. The proposed model works for both strong and weak antioxidants (TEAC values from 21 to 2347 μmol TE/100 mL). The determination coefficient between TEAC values obtained experimentally and TEAC values calculated with proposed mathematical equation was found to be R(2) = 0.98. Therefore, the proposed new method of TEAC determination based on a mathematical model is a good alternative to the standard EPR method due to its being fast, accurate, inexpensive, and simple to perform.

  1. Nuclear spin-lattice relaxation in nitroxide spin-label EPR

    DEFF Research Database (Denmark)

    Marsh, Derek

    2016-01-01

    that the definition of nitrogen nuclear relaxation rate Wn commonly used in the CW-EPR literature for 14N-nitroxyl spin labels is inconsistent with that currently adopted in time-resolved EPR measurements of saturation recovery. Redefinition of the normalised 14N spin-lattice relaxation rate, b = Wn/(2We), preserves...... the expressions used for CW-EPR, whilst rendering them consistent with expressions for saturation recovery rates in pulsed EPR. Furthermore, values routinely quoted for nuclear relaxation times that are deduced from EPR spectral diffusion rates in 14N-nitroxyl spin labels do not accord with conventional analysis...

  2. EPR Imaging at a Few Megahertz Using SQUID Detectors

    Science.gov (United States)

    Hahn, Inseob; Day, Peter; Penanen, Konstantin; Eom, Byeong Ho

    2010-01-01

    An apparatus being developed for electron paramagnetic resonance (EPR) imaging operates in the resonance-frequency range of about 1 to 2 MHz well below the microwave frequencies used in conventional EPR. Until now, in order to obtain sufficient signal-to-noise radios (SNRs) in conventional EPR, it has been necessary to place both detectors and objects to be imaged inside resonant microwave cavities. EPR imaging has much in common with magnetic resonance imaging (MRI), which is described briefly in the immediately preceding article. In EPR imaging as in MRI, one applies a magnetic pulse to make magnetic moments (in this case, of electrons) precess in an applied magnetic field having a known gradient. The magnetic moments precess at a resonance frequency proportional to the strength of the local magnetic field. One detects the decaying resonance-frequency magnetic- field component associated with the precession. Position is encoded by use of the known relationship between the resonance frequency and the position dependence of the magnetic field. EPR imaging has recently been recognized as an important tool for non-invasive, in vivo imaging of free radicals and reduction/oxidization metabolism. However, for in vivo EPR imaging of humans and large animals, the conventional approach is not suitable because (1) it is difficult to design and construct resonant cavities large enough and having the required shapes; (2) motion, including respiration and heartbeat, can alter the resonance frequency; and (3) most microwave energy is absorbed in the first few centimeters of tissue depth, thereby potentially endangering the subject and making it impossible to obtain adequate signal strength for imaging at greater depth. To obtain greater penetration depth, prevent injury to the subject, and avoid the difficulties associated with resonant cavities, it is necessary to use lower resonance frequencies. An additional advantage of using lower resonance frequencies is that one can use

  3. Characterization of Oxygen Bridged Manganese Model Complexes Using Multifrequency (17)O-Hyperfine EPR Spectroscopies and Density Functional Theory.

    Science.gov (United States)

    Rapatskiy, Leonid; Ames, William M; Pérez-Navarro, Montserrat; Savitsky, Anton; Griese, Julia J; Weyhermüller, Thomas; Shafaat, Hannah S; Högbom, Martin; Neese, Frank; Pantazis, Dimitrios A; Cox, Nicholas

    2015-10-29

    Multifrequency pulsed EPR data are reported for a series of oxygen bridged (μ-oxo/μ-hydroxo) bimetallic manganese complexes where the oxygen is labeled with the magnetically active isotope (17)O (I = 5/2). Two synthetic complexes and two biological metallocofactors are examined: a planar bis-μ-oxo bridged complex and a bent, bis-μ-oxo-μ-carboxylato bridge complex; the dimanganese catalase, which catalyzes the dismutation of H2O2 to H2O and O2, and the recently identified manganese/iron cofactor of the R2lox protein, a homologue of the small subunit of the ribonuclotide reductase enzyme (class 1c). High field (W-band) hyperfine EPR spectroscopies are demonstrated to be ideal methods to characterize the (17)O magnetic interactions, allowing a magnetic fingerprint for the bridging oxygen ligand to be developed. It is shown that the μ-oxo bridge motif displays a small positive isotropic hyperfine coupling constant of about +5 to +7 MHz and an anisotropic/dipolar coupling of -9 MHz. In addition, protonation of the bridge is correlated with an increase of the hyperfine coupling constant. Broken symmetry density functional theory is evaluated as a predictive tool for estimating hyperfine coupling of bridging species. Experimental and theoretical results provide a framework for the characterization of the oxygen bridge in Mn metallocofactor systems, including the water oxidizing cofactor of photosystem II, allowing the substrate/solvent interface to be examined throughout its catalytic cycle.

  4. REVIEW OF HIGH FIELD Q SLOPE, CAVITY MEASUREMENTS

    Energy Technology Data Exchange (ETDEWEB)

    Gianluigi Ciovati

    2008-01-23

    One of the most interesting phenomenon occurring in superconducting radio-frequency (SRF) cavities made of bulk niobium is represented by a sharp decrease of the quality factor above peak surface magnetic field of about 90 mT and is referred to as "high field Q-slope" or "Q-drop". This phenomenon was observed first in 1997 and since then some effort was devoted to the understanding of the causes behind it. Still, no clear physical interpretation of the Q-drop has emerged, despite several attempts. In this contribution, I will review the experimental results for various cavities measured in many laboratories and I will try to identify common features and differences related to the Q-drop.

  5. [Ultra-high-field MRI in the Chicken Embryo in Ovo - a Model for Experimental Ophthalmology].

    Science.gov (United States)

    Klose, Ronja; Streckenbach, Felix; Hadlich, Stefan; Stahnke, Thomas; Guthoff, Rudolf; Wree, Andreas; Frank, Marcus; Langner, Sönke; Stachs, Oliver; Lindner, Tobias

    2017-12-01

    Ultra-high-field MRI (UHF-MRI) is an outstanding technique for non-invasive and non-destructive imaging of soft tissues and can provide versatile contrasts and high resolution in the µm range. In vivo imaging of the embryonal chick eye with its filigree anatomical structures imposes these requirements. However, due to the short embryonal development cycle, chicken are a favourite animal model for embryonal research studies. Ultra-high-field MRI allows repeated and longitudinal in ovo investigations on the same embryo. In the present study, the limitations and opportunities of in ovo MR-imaging at 7 T were evaluated and the process of eye growth was described in detail. Georg Thieme Verlag KG Stuttgart · New York.

  6. High-field magnetic transitions in the R sub 2 T sub 17 compounds

    Energy Technology Data Exchange (ETDEWEB)

    Franse, J.J.M.; Sinnema, S. (Amsterdam Univ. (NL). Natuurkundig Lab.); Radwanski, R.J. (University of Mining and Metallurgy, Krakow (PL). Solid State Physics Dept.)

    1988-12-01

    In the past few years high-field magnetic transitions have been extensively studied for a number of single crystalline samples of the R{sub 2}T{sub 17} series (R = rare earths, T = Co or Fe). The transitions observed in Ho{sub 2}Co{sub 17} and Dy{sub 2}Co{sub 17} are exchange-driven transitions connected with a breaking of the ferromagnetic structure and only occur in applied fields above 20 T.

  7. Nematic ordering in pyrochlore antiferromagnets: high-field phase of chromium spinel oxides

    OpenAIRE

    Takata, Emika; Momoi, Tsutomu; Oshikawa, Masaki

    2015-01-01

    Motivated by recent observation of a new high field phase near saturation in chromium spinels $A$Cr$_2$O$_4$ ($A=$ Zn, Cd, Hg), we study the $S = 3/2$ pyrochlore Heisenberg antiferromagnet with biquadratic interactions. Magnon instability analysis at the saturation field reveals that a very small biquadratic interaction can induce magnon pairing in pyrochlore antiferromagnets, which leads to the emergence of a ferro-quadrupolar phase, or equivalently a spin nematic phase, below the saturation...

  8. The value of conventional high-field MRI in MS in the light of the McDonald criteria: a literature review

    DEFF Research Database (Denmark)

    Larsen, Line Sofie Lunde; Larsson, H B W; Frederiksen, Jette Lautrup Battistini

    2010-01-01

    multiple sclerosis. Further larger studies of patients with clinically isolated syndromes are needed to settle the question of a diagnostic consequence of high-field imaging in MS. We suggest that the next revision of the McDonald diagnostic criteria include a recommendation of field strength.......The diagnosis of MS is based on the revised McDonald criteria and is multidisciplinary. Both clinical and paraclinical measures are included. High-field magnetic resonance imaging (MRI) is becoming increasingly available and it is therefore necessary to clarify possible advantages of high-field MRI...... of lesions to be better at high field. Of the seven studies, six found more and bigger lesions at high-field MRI. In the present paper, the relevant MRI sequences are evaluated in detail. The detection of more lesions at high-field strength did not seem to lead to earlier diagnosis of clinically definite...

  9. Uncertainty analysis for absorption and first-derivative EPR spectra

    Science.gov (United States)

    Tseitlin, Mark; Eaton, Sandra S.; Eaton, Gareth R.

    2015-01-01

    Electron paramagnetic resonance (EPR) experimental techniques produce absorption or first-derivative spectra. Uncertainty analysis provides the basis for comparison of spectra obtained by different methods. In this study it was used to derive analytical equations to relate uncertainties for integrated intensity and line widths obtained from absorption or first-derivative spectra to the signal-to-noise ratio (SNR), with the assumption of white noise. Predicted uncertainties for integrated intensities and line widths are in good agreement with Monte Carlo calculations for Lorentzian and Gaussian lineshapes. Conservative low-pass filtering changes the noise spectrum, which can be modeled in the Monte Carlo simulations. When noise is close to white, the analytical equations provide useful estimates of uncertainties. For example, for a Lorentzian line with white noise, the uncertainty in the number of spins obtained from the first-derivative spectrum is 2.6 times greater than from the absorption spectrum at the same SNR. Uncertainties in line widths obtained from absorption and first-derivative spectra are similar. The impact of integration or differentiation on SNR and on uncertainties in fitting parameters was analyzed. Although integration of the first-derivative spectrum improves the apparent smoothness of the spectrum, it also changes the frequency distribution of the noise. If the lineshape of the signal is known, the integrated intensity can be determined more accurately by fitting the first-derivative spectrum than by first integrating and then fitting the absorption spectrum. Uncertainties in integrated intensities and line widths are less when the parameters are determined from the original data than from spectra that have been either integrated or differentiated. PMID:25774102

  10. Uncertainty analysis for absorption and first-derivative EPR spectra.

    Science.gov (United States)

    Tseitlin, Mark; Eaton, Sandra S; Eaton, Gareth R

    2012-11-01

    Electron paramagnetic resonance (EPR) experimental techniques produce absorption or first-derivative spectra. Uncertainty analysis provides the basis for comparison of spectra obtained by different methods. In this study it was used to derive analytical equations to relate uncertainties for integrated intensity and line widths obtained from absorption or first-derivative spectra to the signal-to-noise ratio (SNR), with the assumption of white noise. Predicted uncertainties for integrated intensities and line widths are in good agreement with Monte Carlo calculations for Lorentzian and Gaussian lineshapes. Conservative low-pass filtering changes the noise spectrum, which can be modeled in the Monte Carlo simulations. When noise is close to white, the analytical equations provide useful estimates of uncertainties. For example, for a Lorentzian line with white noise, the uncertainty in the number of spins obtained from the first-derivative spectrum is 2.6 times greater than from the absorption spectrum at the same SNR. Uncertainties in line widths obtained from absorption and first-derivative spectra are similar. The impact of integration or differentiation on SNR and on uncertainties in fitting parameters was analyzed. Although integration of the first-derivative spectrum improves the apparent smoothness of the spectrum, it also changes the frequency distribution of the noise. If the lineshape of the signal is known, the integrated intensity can be determined more accurately by fitting the first-derivative spectrum than by first integrating and then fitting the absorption spectrum. Uncertainties in integrated intensities and line widths are less when the parameters are determined from the original data than from spectra that have been either integrated or differentiated.

  11. The role of high-field magnetic resonance imaging in parkinsonian disorders

    DEFF Research Database (Denmark)

    Lehericy, Stéphane; Vaillancourt, David E.; Seppi, Klaus

    2017-01-01

    Historically, magnetic resonance imaging (MRI) has contributed little to the study of Parkinson's disease (PD), but modern MRI approaches have unveiled several complementary markers that are useful for research and clinical applications. Iron- and neuromelanin-sensitive MRI detect qualitative...... changes in the substantia nigra. Quantitative MRI markers can be derived from diffusion weighted and iron-sensitive imaging or volumetry. Functional brain alterations at rest or during task performance have been captured with functional and arterial spin labeling perfusion MRI. These markers are useful...... understand neurodegeneration and provide reliable markers for therapeutic trials. This article reviews recent advances in MRI biomarker research at high-field (3T) and ultra high field-imaging (7T) in PD and atypical parkinsonism....

  12. In Situ Determination of Manganese(II) Speciation in Deinococcus radiodurans by High Magnetic Field EPR

    Science.gov (United States)

    Tabares, Leandro C.; Un, Sun

    2013-01-01

    High magnetic field high frequency electron paramagnetic resonance techniques were used to measure in situ Mn(II) speciation in Deinococcus radiodurans, a radiation-resistant bacteria capable of accumulating high concentrations of Mn(II). It was possible to identify and quantify the evolution of Mn(II) species in intact cells at various stages of growth. Aside from water, 95-GHz high field electron nuclear double resonance showed that the Mn(II) ions are bound to histidines and phosphate groups, mostly from fructose-1,6-bisphosphate but also inorganic phosphates and nucleotides. During stationary growth phase, 285-GHz continuous wave EPR measurements showed that histidine is the most common ligand to Mn(II) and that significant amounts of cellular Mn(II) in D. radiodurans are bound to peptides and proteins. As much as 40% of the total Mn(II) was in manganese superoxide dismutase, and it is this protein and not smaller manganese complexes, as has been suggested recently, that is probably the primary defense against superoxide. PMID:23303180

  13. Oxidative stress and aging: a non-invasive EPR investigation in human volunteers.

    Science.gov (United States)

    Valgimigli, Luca; Sapone, Andrea; Canistro, Donatella; Broccoli, Massimiliano; Gatta, Luigi; Soleti, Antonio; Paolini, Moreno

    2015-04-01

    The oxidative stress theory of aging has brought to the implicit expectation that oxidative stress increases with aging. Unfortunately, a broad investigation in humans is missing due to limitations of conventional oxidative stress status (OSS) analyses. Here we show that the OSS measured in peripheral blood of 247 healthy volunteers, aged 2 days-104 years, using the electron paramagnetic resonance "EPR-radical probe" technique, negatively correlated with age (-1.1 %/year; p < 0.0001) both by simple and multiple linear regression analyses and that it was only marginally affected by sex. These findings stimulate further mechanistic studies.

  14. Moessbauer- and EPR-Snapshots of an Enzymatic Reaction: The Cytochrome P450 Reaction Cycle

    Energy Technology Data Exchange (ETDEWEB)

    Schuenemann, V. [University of Luebeck, Institute of Physics (Germany); Jung, C. [Max-Delbrueck-Center for Molecular Medicine (Germany); Lendzian, F. [Technical University, PC 14, Max-Volmer Laboratory for Biophysical Chemistry (Germany); Barra, A.-L. [Grenoble High Magnetic Field Laboratory (France); Teschner, T.; Trautwein, A. X. [University of Luebeck, Institute of Physics (Germany)

    2004-12-15

    In this communication we present a complimentary Moessbauer- and EPR-study of the time dependance of the reaction of substrate free P450cam with peracetic acid within a time region ranging from 8 ms up to 5 min. An Fe(IV) species as well as a tyrosyl radical residing on the amino acid residue Tyr96 have been identified as reaction intermediates. These species possibly are formed by the reduction of compound I by means of transferring an electron from Tyr 96 to the heme moiety.

  15. XRD and EPR structural investigation of some zinc borate glasses doped with iron ions

    Science.gov (United States)

    Stefan, Razvan; Pascuta, Petru; Popa, Adriana; Raita, Oana; Indrea, Emil; Culea, Eugen

    2012-02-01

    Glasses in the system xFe2O3·(100-x) [45ZnO·55B2O3] (0≤x≤10 mol%) have been prepared by melting at 1200 °C and rapidly cooling at room temperature. The obtained samples were submitted to an additional thermal treatment at 570 °C for 12 h in order to relax the glass structure as well as to improve the local order. The as cast and heat treated samples were investigated using X-ray diffraction (XRD) and electron paramagnetic resonance (EPR) measurements. The XRD patterns of all the studied samples show their vitreous nature. Structural modifications occurring in the heat treated samples compared to the untreated ones have been pointed out. EPR spectra of untreated and heat treated samples revealed resonance absorptions centered at g≈2.0, g≈4.3 and g≈6.4. The compositional variation of the line intensity and linewidth of the absorptions from g≈4.3 and g≈2.0 have been interpreted in terms of the variation in the concentration of the Fe3+ ions and the interaction between the iron ions. The EPR spectra of the untreated samples containing 5 mol% Fe2O3 have been studied at different temperatures (110-290 K). The line intensity of the resonance signals decreases with increase in temperature whereas the linewidth is found to be independent of temperature. It was also found that the temperature variation of reciprocal line intensity obeys the Boltzmann law.

  16. Study of amorphous semiconductors doped with rare earths (Gd and Er) and conducting polymers by EPR techniques and magnetic susceptibility; Estudo de semicondutores amorfos dopados com terras raras (Gd e Er) e de polimeros condutores atraves das tecnicas de RPE e susceptibilidade magnetica

    Energy Technology Data Exchange (ETDEWEB)

    Sercheli, Mauricio da Silva

    1999-07-01

    This thesis involves the study of amorphous semiconductors and conducting polymers, which have been characterized by EPR and magnetic susceptibility measurements, and to a lesser extent by Raman spectroscopy and RBS. The semiconductors were studied using thin films of silicon doped with rare earth metals, e.g. erbium and gadolinium, which had their magnetic properties studied. Using these studies we could determine the state of valence of the rare earths as well as their concentrations in the silicon matrix. According to our results, the valence of the rare earth metal ions is 3+, and we were able to conclude that 4f electronic shells could not be used for the calculation of the conducting band in this system. Furthermore, the analysis of the data on the magnetic susceptibility of the Er{sup 3+} ion with cubic crystalline acting field, gave us the opportunity to estimate the overall splitting of their electronic states for the first time. The conducting polymers were studied using samples of poly(3-methylthiophene) doped with ClO{sub 4}{sup -}, which show a phase transition in the range of 230 K to 130 K. The electron paramagnetic resonance also gives important information on the crystallization, doping level and the presence of polarons or bipolarons in conducting polymers. (author)

  17. Effect of VO2+ ions on the EPR and optical absorption investigations of lithium sulphate monohydrate single crystals for non linear optical applications

    Science.gov (United States)

    Juliet sheela, K.; Radha Krishnan, S.; Shanmugam, V. M.; Subramanian, P.

    2017-09-01

    Electron paramagnetic resonance (EPR) and optical absorption studies of VO2+ ions in Lithium Sulphate Monohydrate (LSMH) single crystal are carried out at room temperature. Single crystal rotations in each of the three mutually orthogonal crystalline planes, ac, ab, cb indicate three different vanadyl complexes. Three VO2+ ions of EPR spectra indicate among them, that two of them have (the intense two) entered the lattice substitutionally and the third one occupies the interstitial position. From the angular variation, the spin Hamiltonian parameters are evaluated. From the optical absorption spectrum containing four selected bands and EPR data, various bonding parameters are determined and the nature of bonding in the crystal is discussed. Also Second Harmonic Generation (SHG) studies are carried out to confirm the Non Linear Optical (NLO) properties of the given material.

  18. Ultra-high field magnetic resonance imaging of the basal ganglia and related structures

    Directory of Open Access Journals (Sweden)

    Birgit Renske Plantinga

    2014-11-01

    Full Text Available Deep brain stimulation is a treatment for Parkinson’s disease and other related disorders, involving the surgical placement of electrodes in the deeply situated basal ganglia or thalamic structures. Good clinical outcome requires accurate targeting. However, due to limited visibility of the target structures on routine clinical MR images, direct targeting of structures can be challenging. Non-clinical MR scanners with ultra-high magnetic field (7T or higher have the potential to improve the quality of these images. This technology report provides an overview of the current possibilities of visualizing deep brain stimulation targets and their related structures with the aid of ultra-high field MRI. Reviewed studies showed improved resolution, contrast- and signal-to-noise ratios at ultra-high field. Sequences sensitive to magnetic susceptibility such as T2* and susceptibility weighted imaging and their maps in general showed the best visualization of target structures, including a separation between the subthalamic nucleus and the substantia nigra, the lamina pallidi medialis and lamina pallidi incompleta within the globus pallidus and substructures of the thalamus, including the ventral intermediate nucleus (Vim. This shows that the visibility, identification and even subdivision of the small deep brain stimulation targets benefit from increased field strength. Although ultra-high field MR imaging is associated with increased risk of geometrical distortions, it has been shown that these distortions can be avoided or corrected to the extent where the effects are limited. The availability of ultra-high field MR scanners for humans seems to provide opportunities for a more accurate targeting for deep brain stimulation in patients with Parkinson’s disease and related disorders.

  19. Cooper-pair splitter: towards an efficient source of spin-entangled EPR pairs

    Science.gov (United States)

    Schonenberger, Christian

    2011-03-01

    In quantum mechanics the properties of two and more particles can be entangled. In basic science pairs of entangled particles, so called Einstein-Podolsky-Rosen (EPR) pairs, play a special role as toy objects for fundamental studies. They provide such things as ``spooky interaction at distance,'' but they also enable secure encoding and teleportation and are thus important for applications in quantum information technology. Whereas EPR pairs of photons can be generated by parametric down conversion (PDC) in a crystal, a similar source for EPR pairs of electrons does not exists yet. In several theory papers, it has been suggested to use a superconductor for this purpose. The superconducting ground state is formed by a condensate of Cooper-pairs which are electron pairs in a spin-singlet state. Since there are many Cooper pairs in a metallic superconductor like Al, the main tasks are to extract Cooper pairs one by one and to split them into different arms. A controlled and efficient splitting is possible if one makes use of Coulomb interaction. This has recently be demonstrated by two groups [2-4] using hybrid quantum-dot devices with both superconducting and normal metal contacts. In the present talk, I will discuss the Cooper-pair splitter results from the Basel-Budapest-Copenhagen team and compare with the other experiments. As an outlook we discuss approaches that aim at entanglement detection. The Cooper pair splitter holds great promises because very large splitting efficiencies approaching 100% and large pair current rates appear feasible. This work has been done by L. Hofstetter, S. Csonka, A. Geresdi, M. Aagesen, J. Nygard and C. Schönenberger

  20. Frequency modulation effects in EPR and dynamic nuclear polarisation

    CERN Document Server

    Kiselev, Yu F

    1996-01-01

    We elaborate on new effects in electron paramagnetic resonance and dynamic nuclear polarisation, recently discovered in the large polarized target of SMC at CERN, and validate our theoretical concepts by experiment. The phenomena, called by us 'frequency modulation effects', appear in a target cavity in the presence of strong frequency modulated microwave field which excites the electron magnetic dipole transitions. The system exhibits properties similar to an optical interferometer, whose arms can be adjusted by a steady magnetic field. The EPR spectrum of the cavity intensity shows satellites at monochromatic irradiation; these satellites disappear when the microwave frequency is modulated. It is shown that on the edges of the EPR line the absorption of the frequency modulated field is strongly enchanced due to a new mechanism of magnetic losses. This contributes also to the average dynamic deuteron polarization which is increased by a dramatic factor of 1.7 giving the highest ever deuteron polarization exc...

  1. The High Field Path to Practical Fusion Energy

    Science.gov (United States)

    Mumgaard, Robert; Whyte, D.; Greenwald, M.; Hartwig, Z.; Brunner, D.; Sorbom, B.; Marmar, E.; Minervini, J.; Bonoli, P.; Irby, J.; Labombard, B.; Terry, J.; Vieira, R.; Wukitch, S.

    2017-10-01

    We propose a faster, lower cost development path for fusion energy enabled by high temperature superconductors, devices at high magnetic field, innovative technologies and modern approaches to technology development. Timeliness, scale, and economic-viability are the drivers for fusion energy to combat climate change and aid economic development. The opportunities provided by high-temperature superconductors, innovative engineering and physics, and new organizational structures identified over the last few years open new possibilities for realizing practical fusion energy that could meet mid-century de-carbonization needs. We discuss re-factoring the fusion energy development path with an emphasis on concrete risk retirement strategies utilizing a modular approach based on the high-field tokamak that leverages the broader tokamak physics understanding of confinement, stability, and operational limits. Elements of this plan include development of high-temperature superconductor magnets, simplified immersion blankets, advanced long-leg divertors, a compact divertor test tokamak, efficient current drive, modular construction, and demountable magnet joints. An R&D plan culminating in the construction of an integrated pilot plant and test facility modeled on the ARC concept is presented.

  2. High Field Side MHD Activity During Local Helicity Injection

    Science.gov (United States)

    Pachicano, J. L.; Bongard, M. W.; Fonck, R. J.; Perry, J. M.; Reusch, J. A.; Richner, N. J.

    2017-10-01

    MHD is an essential part of understanding the mechanism for local helicity injection (LHI) current drive. The new high field side (HFS) LHI system on the Pegasus ST permits new tests of recent NIMROD simulations. In that model, LHI current streams in the plasma edge undergo large-scale reconnection events, leading to current drive. This produces bursty n = 1 activity around 30 kHz on low field side (LFS) Mirnov coils, consistent with experiment. The simulations also feature coherent injector streams winding down the center column. Improvements to the core high-resolution poloidal Mirnov array with Cat7A Ethernet cabling and differentially driven signal processing eliminated EMI-driven switching noise, enabling detailed spectral analysis. Preliminary results from the recovered HFS poloidal Mirnov coils suggest n = 1 activity is present at the top of the vessel core, but does not persist down the centerstack. HFS LHI experiments can exhibit an operating regime where the high amplitude MHD is abruptly reduced by more than an order of magnitude on LFS Mirnov coils, leading to higher plasma current and improved particle confinement. This reduction is not observed on the HFS midplane magnetics. Instead, they show broadband turbulence-like magnetic features with near consistent amplitude in a frequency range of 90-200 kHz. Work supported by US DOE Grant DE-FG02-96ER54375.

  3. state hybrid hemoglobins as revealed by optical, EPR and ...

    Indian Academy of Sciences (India)

    Unknown

    EPR examinations of these hybrids show that both in R state-[Cu(II)-Fe(II)] and T state-[Cu(II)-Ni(II)] hybrids at neutral pH and in the absence of IHP, CuPPIX, ... ion environment: Species 1, a five-coordinated Cu2+ complex with strong proximal histidine bond and spe- .... with those of copper and nickel-reconstituted hemo-.

  4. Copenhagen vs Everett, teleportation, and ER=EPR

    Energy Technology Data Exchange (ETDEWEB)

    Susskind, Leonard [Stanford Institute for Theoretical Physics and Department of Physics, Stanford University, Stanford, CA (United States)

    2016-06-15

    Quantum gravity may have as much to tell us about the foundations and interpretation of quantum mechanics as it does about gravity. The Copenhagen interpretation of quantum mechanics and Everett's Relative State Formulation are complementary descriptions which in a sense are dual to one another. My purpose here is to discuss this duality in the light of the of ER=EPR conjecture. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Karl R. Popper, 1992: About the EPR controversy

    Science.gov (United States)

    Combourieu, Marie-Christine

    1992-10-01

    Sir K. R. Popper's experimental schemes challenge the Copenhagen interpretation of quantum theory, principally Heisenberg's indeterminacy relations and the EPR paradox. “The so-called Einstein-Podolsky-Rosen paradox is not a paradox. It is a theoretical statement in expectation of an interpretation,” says K. R. Popper in this interview. “My experiment ought to be a classical experiment. It is very simple and free from any additional assumption. It should really be done.”

  6. A comparison of antioxidative capacities of fruit juices, drinks and nectars, as determined by EPR and UV-vis spectroscopies

    Science.gov (United States)

    Bartoszek, Mariola; Polak, Justyna

    2016-01-01

    The differences in the Trolox Equivalent Antioxidant Capacity (TEAC) values at the same incubation time obtained by two different techniques: electron paramagnetic resonance (EPR) spectroscopy and ultraviolet visible (UV-vis) spectroscopy, which use the same antioxidant-free radical reaction mechanism, were determined for fruit juices, nectars and drinks. For this study, the stable free radical 1,1-Diphenyl-2-picryl-hydrazyl (DPPH•) was used. The antioxidant capacity was presented in Trolox Equivalents, e.g., μM trolox per 100 ml of sample. All of the studied fruit juices, drinks and nectars showed antioxidative properties. Dependencies between TEAC values and the percent fruit content and sample color were observed for the studied beverages. It was found that EPR spectroscopy is the more adequate method for determining TEAC values for these kinds of samples.

  7. A comparison of antioxidative capacities of fruit juices, drinks and nectars, as determined by EPR and UV-vis spectroscopies.

    Science.gov (United States)

    Bartoszek, Mariola; Polak, Justyna

    2016-01-15

    The differences in the Trolox Equivalent Antioxidant Capacity (TEAC) values at the same incubation time obtained by two different techniques: electron paramagnetic resonance (EPR) spectroscopy and ultraviolet visible (UV-vis) spectroscopy, which use the same antioxidant-free radical reaction mechanism, were determined for fruit juices, nectars and drinks. For this study, the stable free radical 1,1-Diphenyl-2-picryl-hydrazyl (DPPH(•)) was used. The antioxidant capacity was presented in Trolox Equivalents, e.g., μM trolox per 100 ml of sample. All of the studied fruit juices, drinks and nectars showed antioxidative properties. Dependencies between TEAC values and the percent fruit content and sample color were observed for the studied beverages. It was found that EPR spectroscopy is the more adequate method for determining TEAC values for these kinds of samples. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. EPR investigation of some traditional oriental irradiated spices

    Energy Technology Data Exchange (ETDEWEB)

    Duliu, Octavian G. [University of Bucharest, Department of Atomic and Nuclear Physics, Magurele, C.P. MG-11, RO-077125 Bucharest (Romania)]. E-mail: duliu@pcnet.ro; Georgescu, Rodica [National Institute for Physics and Nuclear Engineering -Horia Hulubei, C.P. MG-6, RO-077125 Bucharest (Romania); Ali, Shaban Ibrahim [University of Bucharest, Department of Atomic and Nuclear Physics, Magurele, C.P. MG-11, RO-077125 Bucharest (Romania)

    2007-06-15

    The 9.50 GHz electron paramagnetic resonance (EPR) spectra of unirradiated and {sup 60}Co {gamma}-ray irradiated cardamom (Elettaria cardamomum L. Maton, Zingiberaceae), ginger ((Zingiber officinale Rosc., Zingiberaceae), and saffron (Crocus sativus L., Iridaceae) have been investigated at room temperature. All unirradiated spices presented a weak resonance line with g-factors around free-electron ones. After {gamma}-ray irradiation at an absorbed dose of up to 11.3 kGy, the presence of EPR spectra whose amplitude increase monotonously with the absorbed dose has been noticed with all spices. A 100 {sup o}C isothermal annealing of 11.3 kGy irradiated samples has shown a differential reduction of amplitude of various components that compose initial spectra, but even after 3.6 h of thermal treatment, the remaining amplitude represents no less then 30% of the initial ones. The same peculiarities have been noticed after 83 days storage at room temperature but after 340 days storage at ambient conditions only irradiated ginger displays a weak signal that differs from those of unirradiated sample. All these factors could be taken into account in establishing at which extent the EPR is suitable to evidence any irradiation treatment applied to these spices.

  9. EPR investigation of some traditional oriental irradiated spices

    Science.gov (United States)

    Duliu, Octavian G.; Georgescu, Rodica; Ali, Shaban Ibrahim

    2007-06-01

    The 9.50 GHz electron paramagnetic resonance (EPR) spectra of unirradiated and 60Co γ-ray irradiated cardamom ( Elettaria cardamomum L. Maton, Zingiberaceae), ginger (( Zingiber officinale Rosc., Zingiberaceae), and saffron ( Crocus sativus L., Iridaceae) have been investigated at room temperature. All unirradiated spices presented a weak resonance line with g-factors around free-electron ones. After γ-ray irradiation at an absorbed dose of up to 11.3 kGy, the presence of EPR spectra whose amplitude increase monotonously with the absorbed dose has been noticed with all spices. A 100 °C isothermal annealing of 11.3 kGy irradiated samples has shown a differential reduction of amplitude of various components that compose initial spectra, but even after 3.6 h of thermal treatment, the remaining amplitude represents no less then 30% of the initial ones. The same peculiarities have been noticed after 83 days storage at room temperature but after 340 days storage at ambient conditions only irradiated ginger displays a weak signal that differs from those of unirradiated sample. All these factors could be taken into account in establishing at which extent the EPR is suitable to evidence any irradiation treatment applied to these spices.

  10. TL, EPR and optical absorption in natural grossular crystal

    Energy Technology Data Exchange (ETDEWEB)

    Yauri, J.M. [Institute of Physics, University of Sao Paulo, Rua do Matao, Travessa R, 187, CEP 05508-900, Sao Paulo (Brazil); Department of Physics, University of San Agustin, Av. Independencia S/N, Arequipa (Peru); Cano, N.F. [Institute of Physics, University of Sao Paulo, Rua do Matao, Travessa R, 187, CEP 05508-900, Sao Paulo (Brazil)], E-mail: nilocano@dfn.if.usp.br; Watanabe, S. [Institute of Physics, University of Sao Paulo, Rua do Matao, Travessa R, 187, CEP 05508-900, Sao Paulo (Brazil)

    2008-10-15

    Grossular is one of six members of silicate Garnet group. Two samples GI and GII have been investigated concerning their luminescence thermally stimulated (TL). EPR and optical absorption and the measurements were carried out to find out whether or not same point defects are responsible for all three properties. Although X-rays diffraction analysis has shown that both GI and GII have practically the same crystal structure of a standard grossular crystal, they presented different behavior in many aspects. The TL glow curve shape, TL response to radiation dose, the effect of annealing at high temperatures before irradiation, the dependence of UV bleaching parameters on peak temperature, all of them differ going from GI to GII. The EPR signals around g=2.0 as well as at g=4.3 and 6.0 have much larger intensity in GI than in GII. Very high temperature (>800 deg. C) annealing causes large increase in the bulk background absorption in GI, however, only very little in GII. In the cases of EPR and optical absorption, the difference in their behavior can be attributed to Fe{sup 3+} ions; however, in the TL case one cannot and the cause was not found as yet.

  11. THE ORIENTATION OF MEMBRANE BOUND RADICALS: AN EPR INVESTIGATION OF MAGNETICALLY ORDERED SPINACH CHLOROPLASTS

    Energy Technology Data Exchange (ETDEWEB)

    Dismukes, G. Charles; Sauer, Kenneth

    1978-03-01

    The orientation of membrane-bound radicals in spinach chloroplasts is examined by electron paramagnetic resonance (EPR) spectroscopy of chloroplasts oriented by magnetic fields. Several of the membrane-bound radicals which possess g-tensor anisotropy display EPR signals with a marked dependence on the orientation of the membranes relative to the applied EPR field. The fraction of oxidized and reduced plastocyanin, P-700, iron-sulfur proteins A and B, and the X center, an early acceptor of Photosystem I, can be controlled by the light intensity during steady-state illumination and can be trapped by cooling. The X center can be photoreduced and trapped in the absence of strong reductants and high pH, conditions previously found necessary for its detection. These results confirm its role as an early electron acceptor in P-700 photo-oxidation. X is oriented with its smallest principal g-tensor axis (g{sub x}) predominantly parallel to the normal to the thylakoid membrane, the same orientation as was found for an early electron acceptor based on time-resolved electron spin polarization studies. We propose that the X center is the first example of a high potential iron-sulfur protein which functions in electron transfer in its 'superreduced' state. We present evidence which suggests that iron-sulfur proteins A and B are 4Fe-4S clusters in an 8Fe-8S protein. Center B is oriented with g{sub y} predominantly normal to the membrane plane. The spectra of center A and plastocyanin do not show significant changes with sample orientation. In the case of plastocyanin, this may indicate a lack of molecular orientation. The absence of an orientation effect for reduced center A is reconcilable with a 4Fe-4S geometry, provided that the electron obtained upon reduction can be shared between any pair of Fe atoms in the center. Orientation of the 'Rieske' iron-sulfur protein is also observed. It has axial symmetry with g{parallel} close to the plane of the membrane

  12. Assessment of an alanine EPR dosimetry technique with enhanced precision and accuracy

    CERN Document Server

    Hayes, R B; Wieser, A; Romanyukha, A A; Hardy, B L; Barrus, J K

    2000-01-01

    Dose reconstruction in the course of a series of blind tests demonstrated that an accuracy of 10 mGy for low doses and 1% for high doses can be achieved using EPR spectroscopy. This was accomplished using a combination of methodologies including polynomial filtration of the EPR spectrum, dosimeter rotation during scanning, use of an EPR standard fixed into the resonator and subtraction of all nonradiogenic signals. Doses were reconstructed over the range of 0.01-1000 Gy using this compound spectral EPR analysis. This EPR technique, being equally applicable to fractionated doses (such as those delivered during multiple radiotherapy treatments), was verified to exhibit dose reciprocity. Irradiated alanine dosimeters which were stored exhibited compound spectral EPR signal fading of ca 3% over 9 months. All error estimates given in this paper are given at the 1 standard deviation level and unless otherwise specified do not account for uncertainties in source calibration.

  13. Anisotropic high field superconductinng behavior in MgB_2

    Science.gov (United States)

    Gurevich, Alexander

    2004-03-01

    I will discuss new effects resulting from the two-gap superconductivity in MgB_2, focusing on: 1. Current-induced interband breakdown and dynamic interband phase textures caused by nonequilibrium charge imbalance [1], 2. Anomalous enhancement of the upper critical field H_c2(T) by nonmagnetic impurities in dirty two-gap superconductors. A theory of H_c2 based on generalized two-gap Usadel equations, which include both intra and interband scattering channels and paramagnetic pairbreaking is presented. Solutions of these equations show that H_c2(T) can exhibit a strong upward curvature and an unusual temperature dependence of the anisotropy parameter H_c2^||/H_c2^⊥, which can both increase and decrease with T depending on the ratio of the intraband electron diffusivities D_π/D_σ [2]. The theory explains recent high-field transport experiments on resistive MgB2 films in which the upper critical field was increased by 3-10 times as compared to single crystals [3], H_c2 exceeding 50 Tesla for H||ab and 35T for H⊥ ab. The results suggest that nonmagnetic impurities due to selective atomic substitution on Mg and B sites can increase H_c2 of MgB2 to a much greater extend than in one-gap superconductors. [1]. A. Gurevich and V.M. Vinokur, PRL 90, 047004 (2003). [2]. A. Gurevich, PRB 67, 1845151 (2003) and unpublished. [3]. A. Gurevich et al. Supercond. Sci. Technol. (2003, to appear). *In collaboration with V.M. Vinokur, V. Braccini, S. Patnaik, X. Song, D.C. Larbalestier, C.B. Eom, X. Pan, X. Xi, V. Ferrando, C. Ferdighini, A. Siri, K.H. Kim and C. Mielke. Work supported by NSF Nanostructured Materials and Interfaces MRSEC at the University of Wisconsin.

  14. Public debate about the EPR nuclear power plant at Flamanville; Debat public sur la centrale nucleaire EPR a Flamanville

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-07-01

    The project of building of he EPR reactor at Flamanville (Manche, France) has been submitted to the public debate. This document includes a presentation of the project and of the rules of the public debate, a synthesis of the file made by the prime contractor (EDF), a synthesis of the collective book of national actors concerned by the project (a group of associations for environment protection, Areva company, the ministries of economy and ecology, Global Chance, association of pro-nuclear ecologists (AEPN), 'Sortir du Nucleaire' (out-of nuclear) network, group of scientists for the information about nuclear (GSIEN), association for the promotion of the Flamanville site (Proflam), French nuclear energy society (SFEN) in association with 'Sauvons le Climat' (let's save climate), regional collective association 'EPR non merci, ni ailleurs, ni ici' (EPR, no thanks, neither elsewhere, nor here), NegaWatt), and 5 detailed books of actors: ACRO (association for the control of radioactivity in Western France), CFDT and CGT syndicates, the economic and social council of Basse Normandie region, and Proflam. (J.S.)

  15. Evaluation of dose uncertainty in radiation processing using EPR spectroscopy and butylated hydroxytoluene rods as dosimetry system

    Science.gov (United States)

    Alkhorayef, M.; Mansour, A.; Sulieman, A.; Alnaaimi, M.; Alduaij, M.; Babikir, E.; Bradley, D. A.

    2017-12-01

    Butylatedhydroxytoluene (BHT) rods represent a potential dosimeter in radiation processing, with readout via electron paramagnetic resonance (EPR) spectroscopy. Among the possible sources of uncertainty are those associated with the performance of the dosimetric medium and the conditions under which measurements are made, including sampling and environmental conditions. Present study makes estimate of the uncertainties, investigating physical response in different resonance regions. BHT, a white crystalline solid with a melting point of between 70-73 °C, was investigated using 60Co gamma irradiation over the dose range 0.1-100 kGy. The intensity of the EPR signal increases linearly in the range 0.1-35 kGy, the uncertainty budget for high doses being 3.3% at the 2σ confidence level. The rod form represents an excellent alternative dosimeter for high level dosimetry, of small uncertainty compared to powder form.

  16. Preliminary evaluation of second harmonic direct detection scheme for low-dose range in alanine/EPR dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Felipe [Departamento de Fisica e Matematica, FFCLRP, Universidade de Sao Paulo, Ribeirao Preto, SP (Brazil); Departamento de Fisica, Facultad de Ciencias Naturales, Exactas y Tecnologia, Universidad de Panama (Panama); Departamento de Salud Radiologica, Caja de Seguro Social (Panama); Graeff, Carlos F.O.; Baffa, Oswaldo [Departamento de Fisica e Matematica, FFCLRP, Universidade de Sao Paulo, Ribeirao Preto, SP (Brazil)]. E-mail: baffa@ffclrp.usp.br

    2002-04-21

    The usefulness of a direct detection scheme of the second harmonic (2h) overmodulated signal from irradiated alanine in EPR dosimetry was studied. For this purpose, a group of DL-alanine/paraffin cylindrical pellets was produced. The dosimeters were irradiated with a {sup 60}Co radiotherapy gamma source with doses of 0.05, 0.1, 0.5, 1 and 5 Gy. The EPR measurements were carried out in a VARIAN-E4 spectrometer operating in X-band with optimized parameters to obtain highest amplitude signals of both harmonics. The 2h signal was detected directly at twice the modulation frequency. In preliminary results, the 2h showed some advantages over the 1h such as better resolution for doses below 1 Gy, better repeatability results and better linear behaviour in the dose range indicated. (author)

  17. EPR characteristics of free radicals in DOPA-melanin-moxifloxacin complexes at ambient level of UVA radiation

    Science.gov (United States)

    Beberok, Artur; Zdybel, Magdalena; Pilawa, Barbara; Buszman, Ewa; Wrześniok, Dorota

    2014-01-01

    EPR studies pointed out that o-semiquinone free radicals with g-values 2.0038-2.0040 take part in moxifloxacin-melanin complex formation. The process contributed to increase in free radicals concentration in nonirradiated complexes. This effect was observed for the complexes with 1 × 10-4 M, 1 × 10-3 M and 4 × 10-3 M drug concentrations. UV irradiation contributed to decrease in free radicals concentration in DOPA-melanin complexes with moxifloxacin, besides the complexes with the drug concentration of 1 × 10-4 M. The strongest decrease was observed for DOPA-melanin-moxifloxacin complexes with the drug concentration of 1 × 10-3 M. Homogeneous broadening of EPR lines, strong dipolar interactions and slow spin-lattice relaxation processes characterized all the tested melanin samples.

  18. Eksplorativ analyse av EPR-spektre av alanin og Gorilla® Glass

    OpenAIRE

    Jåstad, Eirik Ogner

    2016-01-01

    Elektron Paramagnetisk Resonans (EPR) spektroskopi er en måleteknikk som tar opp spektre som kan brukes til å estimere absorbert stråledose, såkalt EPR-dosimetri. EPR-dosimetri måler mengden frie radikaler i et materiale, som er proporsjonalt med den absorberte dosen. De fleste frie radikaler er kortlivede ved romtemperatur, dette er en utfordring ved EPR-dosimetri. Et materiale som ofte brukes i dosimetri er aminosyren L-α-alanin. Alanin egner seg for planlagte eksponeringer, men ikke nødven...

  19. Host material induced hyperfine structure of F{sup +} centres EPR spectra in CaS

    Energy Technology Data Exchange (ETDEWEB)

    Seeman, Viktor, E-mail: viktor.seeman@ut.ee; Dolgov, Sergei; Maaroos, Aarne

    2017-05-15

    The hyperfine structure (HFS) of F{sup +} centres in CaS single crystals due to the interaction with {sup 33}S and {sup 43}Ca nuclei was observed in EPR spectra for the first time. Angular variations of the HFS were measured for rotation of magnetic field in {100} and {110} crystallographic planes. Using measured orientation-dependent EPR spectra and the EPR NMR program, the parameters of the spin Hamiltonian were determined. In case of {sup 33}S nucleus there is a strong dependence of the F{sup +} centre EPR spectrum on the quadrupole term whereas for {sup 43}Ca nucleus this dependence is insignificant.

  20. A Regional PD Strategy for EPR Systems: Evidence-Based IT Development

    DEFF Research Database (Denmark)

    Simonsen, Jesper; Hertzum, Morten

    2006-01-01

    One of the five regions in Denmark has initiated a remark-able and alternative strategy for the development of Elec-tronic Patient Record (EPR) systems. This strategy is driven by Participatory Design (PD) experiments and based on evidence of positive effects on the clinical practice when using EPR...... systems. We present this PD strategy and our related research on evidence-based IT development. We report from a newly completed PD experiment with EPR in the region conducted through a close collaboration compris-ing a neurological stroke unit, the region’s EPR unit, the vendor, as well as the authors....

  1. An advanced EPR stopped-flow apparatus based on a dielectric ring resonator

    Science.gov (United States)

    Lassmann, Günter; Schmidt, Peter Paul; Lubitz, Wolfgang

    2005-02-01

    A novel EPR stopped-flow accessory is described which allows time-dependent cw-EPR measurements of rate constants of reactions involving paramagnetic species after rapid mixing of two liquid reagents. The EPR stopped-flow design represents a state-of-the-art, computer controlled fluid driving system, a miniresonant EPR structure with an integrated small ball mixer, and a stopping valve. The X-band EPR detection system is an improved version of that reported by Sienkiewicz et al. [Rev. Sci. Instr. 65 (1994) 68], and utilizes a resonator with two stacked ceramic dielectric rings separated by a variable spacer. The resonator with the mode TE( H) 011 is tailored particularly for conditions of fast flowing and rapidly stopped aqueous solutions, and for a high time resolution. The short distance between the ball mixer and the small EPR active volume (1.8 μl) yields a measured dead time of 330 μs. A compact assembly of all parts results in minimization of disturbing microphonics. The computer controlled driving system from BioLogic with two independent stepping motors was optimized for EPR stopped-flow with a hard-stop valve. Performance tests on the EPR spectrometer ESP 300E from BRUKER using redox reactions of nitroxide radicals revealed the EPR stopped-flow accessory as an advanced, versatile, and reliable instrument with high reproducibility.

  2. CW EPR and 9 GHz EPR imaging investigation of stable paramagnetic species and their antioxidant activities in dry shiitake mushroom (Lentinus edodes).

    Science.gov (United States)

    Nakagawa, Kouichi; Hara, Hideyuki

    2016-01-01

    We investigated the antioxidant activities and locations of stable paramagnetic species in dry (or drying) shiitake mushroom (Lentinus edodes) using continuous wave (CW) electron paramagnetic resonance (EPR) and 9 GHz EPR imaging. CW 9 GHz EPR detected paramagnetic species (peak-to-peak linewidth (ΔHpp) = 0.57 mT) in the mushroom. Two-dimensional imaging of the sharp line using a 9 GHz EPR imager showed that the species were located in the cap and shortened stem portions of the mushroom. No other location of the species was found in the mushroom. However, radical locations and concentrations varied along the cap of the mushroom. The 9 GHz EPR imaging determined the exact location of stable paramagnetic species in the shiitake mushroom. Distilled water extracts of the pigmented cap surface and the inner cap of the mushroom showed similar antioxidant activities that reduced an aqueous solution of 0.1 mM 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl. The present results suggest that the antioxidant activities of the edible mushroom extracts are much weaker than those of ascorbic acid. Thus, CW EPR and EPR imaging revealed the location and distribution of stable paramagnetic species and the antioxidant activities in the shiitake mushroom for the first time.

  3. Investigating fatty acids inserted into magnetically aligned phospholipid bilayers using EPR and solid-state NMR spectroscopy

    Science.gov (United States)

    Nusair, Nisreen A.; Tiburu, Elvis K.; Dave, Paresh C.; Lorigan, Gary A.

    2004-06-01

    This is the first time 2H solid-state NMR spectroscopy and spin-labeled EPR spectroscopy have been utilized to probe the structural orientation and dynamics of a stearic acid incorporated into magnetically aligned phospholipid bilayers or bicelles. The data gleaned from the two different techniques provide a more complete description of the bilayer membrane system. Both methods provided similar qualitative information on the phospholipid bilayer, high order, and low motion for the hydrocarbon segment close to the carboxyl groups of the stearic acid and less order and more rapid motion at the end towards the terminal methyl groups. However, the segmental order parameters differed markedly due to the different orientations that the nitroxide and C-D bond axes transform with the various stearic acid acyl chain conformations, and because of the difference in dynamic sensitivity between NMR and EPR over the timescales examined. 5-, 7-, 12-, and 16-doxylstearic acids spin-labels were used in the EPR experiments and stearic acid-d 35 was used in the solid-state NMR experiments. The influence of the addition of cholesterol and the variation of temperature on the fatty acid hydrocarbon chain ordering in the DMPC/DHPC phospholipid bilayers was also studied. Cholesterol increased the degree of ordering of the hydrocarbon chains. Conversely, as the temperature of the magnetically aligned phospholipid bilayers increased, the order parameters decreased due to the higher random motion of the acyl chain of the stearic acid. The results indicate that magnetically aligned phospholipid bilayers are an excellent model membrane system and can be used for both NMR and EPR studies.

  4. Electron paramagnetic resonance (EPR) in characterization of rocks and minerals

    Energy Technology Data Exchange (ETDEWEB)

    Valezi, D.F.; Mauro, E. di [Universidade Estadual de Londrina (UEL), PR (Brazil). Centro de Ciencias Exatas. Lab. de Fluorescencia e Ressonaancia Paramagnetica Eletronica (LAFLURPE); Zaia, D.A.M.; Carneiro, C.E.A. [Universidade Estadual de Londrina (UEL), PR (Brazil). Centro de Ciencias Exatas. Dept. de Quimica; Costa, A.C.S. da [Universidade Estadual de Maringa (UEM), PR (Brazil). Centro de Ciencias Agrarias. Dept. de Agronomia

    2011-07-01

    Full text. his work is based on the study of several stones and minerals from the Parana state, Brazil. They were analyzed by the Electron Paramagnetic Resonance (EPR) technique. The measurements were made on a spectrometer JEOL (JES-PE-3X), operating on X-band and at room temperature, with the exception of the mineral Goethite, which was measured with temperature variation. In all the samples were determined spectroscopic factors (or g factor) and line widths of paramagnetic species. A great number of the samples showed in their spectra, the presence of iron complexes. Phyllite and shale showed a resonance signal with approximately g = 2, and line width with about 1000 Gauss, which indicates the presence of the hematite mineral hematite in these rocks. Shale and coal samples showed the presence of free radical, it was identified as a very intense signal, centered at about g = 2.003. Phyllite sample showed in its spectra a resonance signal between the third and fourth line of the g marker (Mg O:Mn{sup 2+}) used in the measurements, and also a signal at g = 4.3, these characteristics may indicate the presence of Kaolinite in the sample. Limestone showed a signal with line width of about 600 Gauss, centered around g = 2, this signal is probably due to a mixture of ferrihydrite and some other compound, besides the presence of manganese, displaying a spectra with its six peculiar lines, due to hyperfine splitting. The two different types of limestone presented a overlap of two distinct spectra lines for the manganese, in the first limestone sample, rich in calcite, the existence of these different spectra is a result of the manganese substitution in a single site with different orientations of the calcite; the other limestone sample, this one abundant in dolomite, the existence of these different spectra is the result of the manganese substitution in different dolomite sites, taking the place of calcium and or of the magnesium. Now, we are focusing our research in the

  5. IN-VIVO RADIATION DOSIMETRY USING PORTABLE L BAND EPR: ON-SITE MEASUREMENT OF VOLUNTEERS IN FUKUSHIMA PREFECTURE, JAPAN

    Science.gov (United States)

    Miyake, Minoru; Nakai, Yasuhiro; Yamaguchi, Ichiro; Hirata, Hiroshi; Kunugita, Naoki; Williams, Benjamin B.; Swartz, Harold M.

    2016-01-01

    The aim of this study was to make direct measurements of the possible radiation-induced EPR signals in the teeth of volunteers who were residents in Fukushima within 80 km distance from the Fukushima Nuclear Power plant at the time of the disaster, and continued to live there for at least 3 month after the disaster. Thirty four volunteers were enrolled in this study. These measurements were made using a portable L-band EPR spectrometer, which was originally developed in the EPR Center at Dartmouth. All measurements were performed using surface loop resonators that have been specifically designed for the upper incisor teeth. Potentially these signals include not only radiation-induced signals induced by the incident but also background signals including those from prior radiation exposure from the environment and medical exposure. We demonstrated that it is feasible to transport the dosimeter to the measurement site and make valid measurements. The intensity of the signals that were obtained was not significantly above those seen in volunteers who had not had potential radiation exposures at Fukushima. PMID:27522046

  6. Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ

    Energy Technology Data Exchange (ETDEWEB)

    Barends, Thomas R. M., E-mail: thomas.barends@mpimf-heidelberg.mpg.de [MPI for Medical Research, Heidelberg (Germany); Brosi, Richard W. W. [Freie Universitat Berlin, Berlin (Germany); Steinmetz, Andrea; Scherer, Anna; Hartmann, Elisabeth; Eschenbach, Jessica; Lorenz, Thorsten [MPI for Medical Research, Heidelberg (Germany); Seidel, Ralf [MPI for Molecular Physiology, Dortmund (Germany); Shoeman, Robert L.; Zimmermann, Sabine [MPI for Medical Research, Heidelberg (Germany); Bittl, Robert [Freie Universitat Berlin, Berlin (Germany); Schlichting, Ilme; Reinstein, Jochen [MPI for Medical Research, Heidelberg (Germany)

    2013-08-01

    The crystal structure of the N-terminal part of T. thermophilus DnaJ unexpectedly showed an ordered GF domain and guided the design of a construct enabling the first structure determination of a complete DnaJ cochaperone molecule. By combining the crystal structures with spin-labelling EPR and cross-linking in solution, a dynamic view of this flexible molecule was developed. Hsp70 chaperones assist in a large variety of protein-folding processes in the cell. Crucial for these activities is the regulation of Hsp70 by Hsp40 cochaperones. DnaJ, the bacterial homologue of Hsp40, stimulates ATP hydrolysis by DnaK (Hsp70) and thus mediates capture of substrate protein, but is also known to possess chaperone activity of its own. The first structure of a complete functional dimeric DnaJ was determined and the mobility of its individual domains in solution was investigated. Crystal structures of the complete molecular cochaperone DnaJ from Thermus thermophilus comprising the J, GF and C-terminal domains and of the J and GF domains alone showed an ordered GF domain interacting with the J domain. Structure-based EPR spin-labelling studies as well as cross-linking results showed the existence of multiple states of DnaJ in solution with different arrangements of the various domains, which has implications for the function of DnaJ.

  7. {sup 13}C NMR and EPR spectroscopic evaluation of oil shale mined soil recuperation

    Energy Technology Data Exchange (ETDEWEB)

    Santos, J.V. dos, E-mail: mangrich@ufpr.br [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil); Mangrich, A.S. [Instituto Nacional de Ciencia e Tecnologia: Energia e Ambiente, Salvador, BA (Brazil); Pereira, B.F. [EMBRAPA Clima Temperado, Pelotas, RS (Brazil); Pillon, C.N. [EMBRAPA Clima Temperado, Pelotas, RS (Brazil). Estacao Experimental Cascata; Novotny, E.H. [EMBRAPA Solos, Rio de Janeiro, RJ (Brazil); Bonagamba, T.J. [Universidade de Sao Paulo (USP), Sao Carlos, SP (Brazil). Instituto de Fisica; Abbt-Braun, G.; Frimmel, F.H. [Engler-Bunte-Institut, Universitaet Karlsruhe, TH (Germany)

    2013-02-15

    In this work, native forest soil (NFS) organic matter (SOM) sample and SOM samples from a neighboring forest soil area of an oil shale mine which is being rehabilitated for thirty years (RFS) were analyzed. X-band electron paramagnetic resonance (EPR) and solid-state {sup 13}C nuclear magnetic resonance (NMR) spectroscopies were used to evaluate the soil reclamation of the Brazilian oil shale mining process. Two-dimensional heterospectral correlation studies of the results obtained from EPRand {sup 13}C NMR were used to obtain information about SOM structures and their interactions with residual paramagnetic metal ion. The signal of the residual metallic oxycation, VO{sup 2+} correlated positively with uronic acid-type hydrophilic organic structures, determined from the {sup 13}C NMR spectra, and correlated negatively with the organic free radical (OFR) signal associated with oxygen atoms (g = 2.0042). The hydrophobic aromatic structures correlate positively with the EPR OFR signal associated with carbon atoms (g = 2.0022). The data from the two spectroscopic magnetic techniques show that the used recuperation process is effective. (author)

  8. Oxidation processes in Sicilian olive oils investigated by a combination of optical and EPR spectroscopy.

    Science.gov (United States)

    Ricca, Mariaelena; Foderà, Vito; Vetri, Valeria; Buscarino, Gianpiero; Montalbano, Maria; Leone, Maurizio

    2012-10-01

    Extra virgin olive oil (EVOO) is recognized as one of the healthiest foods for its high content of antioxidants, which forestall and slow down radical formation. Free radical-initiated oxidation is considered one of the main causes of rancidity in fats and oils. As a consequence, reliable protocols for the investigation of oil oxidation based on selective, noninvasive, and fast methods are highly desirable. Here we report an experimental approach based on UV-Vis absorbance, steady-state fluorescence, and electron paramagnetic resonance (EPR) spectroscopy for studying oxidation processes induced by temperature for a period up to 35 d on Sicilian EVOO samples. We followed the decrease in β-carotene content during incubation time and observed changes in polyphenols and tocopherols during the oxidation processes, focusing on the time scale of those changes. Using EPR spectroscopy, the free radical formation in different oil samples is reported, providing a fingerprint for both the antioxidant content and temporal features of the oxidation process at its early stage. We monitor β-carotene and chlorophyll in an auto-oxidation process. A protocol based on spectroscopic measurements is presented and can be used for the quality control process of commercial olive oil. © 2012 Institute of Food Technologists®

  9. Measuring precarious employment in times of crisis: the revised Employment Precariousness Scale (EPRES) in Spain.

    Science.gov (United States)

    Vives, Alejandra; González, Francisca; Moncada, Salvador; Llorens, Clara; Benach, Joan

    2015-01-01

    This study examines the psychometric properties of the revised Employment Precariousness Scale (EPRES-2010) in a context of economic crisis and growing unemployment. Data correspond to salaried workers with a contract (n=4,750) from the second Psychosocial Work Environment Survey (Spain, 2010). Analyses included acceptability, scale score distributions, Cronbach's alpha coefficient and exploratory factor analysis. Response rates were 80% or above, scores were widely distributed with reductions in floor effects for temporariness among permanent workers and for vulnerability. Cronbach's alpha coefficients were 0.70 or above; exploratory factor analysis confirmed the theoretical allocation of 21 out of 22 items. The revised version of the EPRES demonstrated good metric properties and improved sensitivity to worker vulnerability and employment instability among permanent workers. Furthermore, it was sensitive to increased levels of precariousness in some dimensions despite decreases in others, demonstrating responsiveness to the context of the economic crisis affecting the Spanish labour market. Copyright © 2015 SESPAS. Published by Elsevier Espana. All rights reserved.

  10. Bypassing the EPR effect with a nanomedicine harboring a sustained-release function allows better tumor control.

    Science.gov (United States)

    Shen, Yao An; Shyu, Ing Luen; Lu, Maggie; He, Chun Lin; Hsu, Yen Mei; Liang, Hsiang Fa; Liu, Chih Peng; Liu, Ren Shyan; Shen, Biing Jiun; Wei, Yau Huei; Chuang, Chi Mu

    2015-01-01

    The current enhanced permeability and retention (EPR)-based approved nanomedicines have had little impact in terms of prolongation of overall survival in patients with cancer. For example, the two Phase III trials comparing Doxil(®), the first nanomedicine approved by the US Food and Drug Administration, with free doxorubicin did not find an actual translation of the EPR effect into a statistically significant increase in overall survival but did show less cardiotoxicity. In the current work, we used a two-factor factorial experimental design with intraperitoneal versus intravenous delivery and nanomedicine versus free drug as factors to test our hypothesis that regional (intraperitoneal) delivery of nanomedicine may better increase survival when compared with systemic delivery. In this study, we demonstrate that bypassing, rather than exploiting, the EPR effect via intraperitoneal delivery of nanomedicine harboring a sustained-release function demonstrates dual pharmacokinetic advantages, producing more efficient tumor control and suppressing the expression of stemness markers, epithelial-mesenchymal transition, angiogenesis signals, and multidrug resistance in the tumor microenvironment. Metastases to vital organs (eg, lung, liver, and lymphatic system) are also better controlled by intraperitoneal delivery of nanomedicine than by standard systemic delivery of the corresponding free drug. Moreover, the intraperitoneal delivery of nanomedicine has the potential to replace hyperthermic intraperitoneal chemotherapy because it shows equal efficacy and lower toxicity. In terms of efficacy, exploiting the EPR effect may not be the best approach for developing a nanomedicine. Because intraperitoneal chemotherapy is a type of regional chemotherapy, the pharmaceutical industry might consider the regional delivery of nanomedicine as a valid alternative pathway to develop their nanomedicine(s) with the goal of better tumor control in the future.

  11. Influence of free radicals signal from dental resins on the radio-induced signal in teeth in EPR retrospective dosimetry.

    Science.gov (United States)

    Levêque, Philippe; Desmet, Céline; Dos Santos-Goncalvez, Ana Maria; Beun, Sébastien; Leprince, Julian G; Leloup, Gaëtane; Gallez, Bernard

    2013-01-01

    In case of radiological accident, retrospective dosimetry is needed to reconstruct the absorbed dose of overexposed individuals not wearing personal dosimeters at the onset of the incident. In such a situation, emergency mass triage will be required. In this context, it has been shown that Electron Paramagnetic Resonance (EPR) spectroscopy would be a rapid and sensitive method, on the field deployable system, allowing dose evaluation of a great number of people in a short time period. This methodology uses tooth enamel as a natural dosimeter. Ionising radiations create stable free radicals in the enamel, in a dose dependent manner, which can be detected by EPR directly in the mouth with an appropriate resonator. Teeth are often subject to restorations, currently made of synthetic dimethacrylate-based photopolymerizable composites. It is known that some dental composites give an EPR signal which is likely to interfere with the dosimetric signal from the enamel. So far, no information was available about the occurrence of this signal in the various composites available on the market, the magnitude of the signal compared to the dosimetric signal, nor its evolution with time. In this study, we conducted a systematic characterization of the signal (intensity, kinetics, interference with dosimetric signal) on 19 most widely used composites for tooth restoration, and on 14 experimental resins made with the most characteristic monomers found in commercial composites. Although a strong EPR signal was observed in every material, a rapid decay of the signal was noted. Six months after the polymerization, the signal was negligible in most composites compared to a 3 Gy dosimetric signal in a tooth. In some cases, a stable atypical signal was observed, which was still interfering with the dosimetric signal.

  12. High-field magnetic resonance imaging of the human temporal lobe

    Directory of Open Access Journals (Sweden)

    Luis M. Colon-Perez

    2015-01-01

    Conclusions: Fresh ex vivo MR imaging, along with tractography, revealed complex intra-temporal structural variation corresponding to neuronal cell body layers, dendritic fields, and axonal projection systems evident histologically. This is the first study to describe in detail the human temporal lobe structural organization using high-field MR imaging and tractography. By preserving the 3-dimensional structures of the hippocampus and surrounding structures, specific changes in anatomy may inform us about the changes that occur in TLE in relation to the disease process and structural underpinnings in epilepsy-related memory dysfunction.

  13. Determination of the Antioxidant Status of the Skin by In Vivo-Electron Paramagnetic Resonance (EPR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Silke Barbara Lohan

    2015-08-01

    Full Text Available Organisms produce free radicals which are essential for various metabolic processes (enzymatic oxidation, cellular respiration, signaling. Antioxidants are important chemical compounds that specifically prevent the oxidation of substances by scavenging radicals, especially reactive oxygen species (ROS. Made up of one or two unpaired electrons, ROS are free radicals that are highly reactive and can attack other metabolites. By using electron paramagnetic resonance (EPR spectroscopy, it is possible to measure paramagnetic substances such as free radicals. Therefore the dermal antioxidant activity can be determined by applying semi-stable radicals onto the skin and measuring the antioxidant-induced radical scavenging activity in the skin. In recent years, EPR has been developed as a spectroscopic method for determining the antioxidant status in vivo. Several studies have shown that an additional uptake of dietary supplements, such as carotenoids or vitamin C in physiological concentrations, provide a protective effect against free radicals. Using the EPR technique it could be demonstrated that the radical production in stress situations, such as irradiation with infrared and visible light, was reduced with time. However, not only the oral uptake of antioxidants, but also the topical application of antioxidants, e.g., a hyperforin-rich cream, is very useful against the development of oxidative stress. Regular application of a hyperforin-rich cream reduced radical formation. The skin lipids, which are very important for the barrier function of the skin, were also stabilized.

  14. Effects of Mn and Fe impurities on the TL and EPR properties of artificial spodumene polycrystals under irradiation

    Science.gov (United States)

    Souza, S. O.; Ferraz, G. M.; Watanabe, S.

    2004-06-01

    It is known that natural spodumene crystals LiAlSi 2O 6 can vary in color due to contents of impurities. With the aim to study how the Fe and Mn impurities influence their thermally stimulated luminescence (TL) and electron paramagnetic resonance (EPR) spectra, we produced synthetic spodumene polycrystals with controlled amount of Fe and Mn. A mixture of SiO 2, Al 2O 3 and Li 2CO 3 was melted and cooled slowly to obtain a pure polycrystal, while a small amount of Fe or Mn has been added during this process. This way we produced the polycrystals which quality are fully adequate for present investigation, by low cost and quickly (comparing to sol-gel technique). We performed then the TL measurements in the temperature range from 0 to 500 °C, as well as the EPR at room temperature. Analyzing the TL glow curves and the EPR spectra, we concluded that the Fe "kills" the thermoluminescent centers in spodumene, while the Mn improves its TL response.

  15. Effects of Mn and Fe impurities on the TL and EPR properties of artificial spodumene polycrystals under irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Souza, S.O. E-mail: osusana@if.usp.br; Ferraz, G.M.; Watanabe, S

    2004-06-01

    It is known that natural spodumene crystals LiAlSi{sub 2}O{sub 6} can vary in color due to contents of impurities. With the aim to study how the Fe and Mn impurities influence their thermally stimulated luminescence (TL) and electron paramagnetic resonance (EPR) spectra, we produced synthetic spodumene polycrystals with controlled amount of Fe and Mn. A mixture of SiO{sub 2}, Al{sub 2}O{sub 3} and Li{sub 2}CO{sub 3} was melted and cooled slowly to obtain a pure polycrystal, while a small amount of Fe or Mn has been added during this process. This way we produced the polycrystals which quality are fully adequate for present investigation, by low cost and quickly (comparing to sol-gel technique). We performed then the TL measurements in the temperature range from 0 to 500 deg. C, as well as the EPR at room temperature. Analyzing the TL glow curves and the EPR spectra, we concluded that the Fe 'kills' the thermoluminescent centers in spodumene, while the Mn improves its TL response.

  16. Spin canting observation and cation distribution in CoFe{sub 2−x}In{sub x}O{sub 4} (0.0 ⩽ x ⩽ 1.0) ferrites through low temperature–high field Mössbauer spectral study

    Energy Technology Data Exchange (ETDEWEB)

    Pandit, Rabia, E-mail: rabiabest@gmail.com [Department of Physics, National Institute of Technology, Hamirpur (H.P) 177 005 (India); Sharma, K.K.; Kaur, Pawanpreet [Department of Physics, National Institute of Technology, Hamirpur (H.P) 177 005 (India); Reddy, V.R. [UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 4520 17 (India); Kumar, Ravi [Centre for Material Science and Engineering, National Institute of Technology, Hamirpur (H.P) 177 005 (India); Shah, Jyoti [National Physical Laboratory, New Delhi 110 012 (India)

    2014-05-01

    Highlights: • Rietveld refinement of CoIn{sub x}Fe{sub 2−x}O{sub 4} samples confirm single phase spinel structure. • The in-field Mössbauer study reveals canted spin structures in CoIn{sub x}Fe{sub 2−x}O{sub 4} ferrites. • In-field Mössbauer study is in line with magnetization measurements. • Cation distribution matches well with experimental integrated intensity ratios. • Shifting of resonance peaks to high frequencies is useful for industrial purposes. - Abstract: In the present work, In{sup 3+} substituted cobalt ferrites (CoFe{sub 2−x}In{sub x}O{sub 4}, x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) have been synthesized via solid-state reaction technique. The Rietveld fitted X-ray diffraction patterns confirm the formation of single phase cubic spinel structure with space group Fd3{sup ¯}m for all the samples, with additional slight traces of secondary phase for x = 0.6, 0.8 and 1.0 samples. The low temperature (5 K)–high field Mössbauer (5T) spectra are analyzed in detail for probing the magnetic properties of Fe based In{sup 3+} substituted cobalt ferrites. The canted spin structures associated with Fe{sup 3+} ions both at A- and B-sites in the presence of external magnetic field of 5T have been noticed in all the samples. A fair agreement is obtained between the experimental integrated intensity ratios of {sup 57}Fe Mössbauer spectra at A- and B-sites and those calculated on the basis of cation distribution. The effect of In{sup 3+} substitution on various Mössbauer parameters viz hyperfine field distribution, isomer shift, quadrupole splitting and the line width has also been noticed. The magnetization measurements performed at low temperature also reveal the canted spin structures in all the samples. The variations in initial permeability over a wide range of frequency (125 kHz–30 MHz) at 300 K have also been recorded. The initial permeability study reveals the occurrence of resonance phenomenon at very high frequencies which widens the area

  17. Quantification of cerebral lateral ventricular volume in cats by low- and high-field MRI.

    Science.gov (United States)

    Przyborowska, Paulina; Adamiak, Zbigniew; Zhalniarovich, Yauheni

    2017-10-01

    Objectives The aim of this study was to evaluate variations in lateral ventricles in the examined feline population with the use of quantitative analysis methods to determine whether sex or body weight influenced the size of the ventricles, and to identify any significant differences in the results of low- and high-field MRI. Methods Twenty healthy European Shorthair cats, aged 1-3 years, with body weights ranging from 2.85-4.35 kg, were studied. MRI of brain structures was performed in a low- and a high-field MRI system. The height of the brain and lateral ventricles at the level of the interthalamic adhesion, and volume of the lateral ventricles were determined in T2-weighted images in the transverse plane. The degree of symmetry of lateral ventricles was analysed based on the ratio of right to left ventricular volume. The measured parameters were processed statistically to determine whether sex and body weight were significantly correlated with variations in ventricular anatomy. The results of low- and high-field MRI were analysed to evaluate for any significant differences. Results The average brain height was determined to be 27.79 mm, and the average height of the left and right ventricles were 2.98 mm and 2.89 mm, respectively. The average ventricle/brain height ratio was 10.61%. The average volume of the left ventricle was 134.12 mm3 and the right ventricle was 130.49 mm3. Moderately enlarged ventricles were observed in two cats. Moderate ventricular asymmetry was described in four cats. Sex and body weight had no significant effect on the evaluated parameters. The differences in the results of low- and high-field MRI were not statistically significant. Conclusions and relevance This study has determined reference intervals for ventricular volume in a population of European Shorthair cats without brain disease, which will facilitate the interpretation of MRI images and the characterisation of brain abnormalities in cats with neurological disease. Further

  18. EPR Characterization of the Triheme Cytochrome from Geobacter sulfurreducens.

    Science.gov (United States)

    Ponomarenko, Nina; Niklas, Jens; Pokkuluri, Phani Raj; Poluektov, Oleg G; Tiede, David Michael

    2018-01-03

    Periplasmic cytochrome A (PpcA) is a representative of a broad class of multi-heme cytochromes functioning as protein "nanowires" for storage and extracellular transfer of multiple electrons in the δ-proteobacterium Geobacter sulfurreducens. PpcA contains three bis-His coordinated hemes held in a spatial arrangement that is highly conserved among the multi-heme cytochromes c3 and c7 families, carries low potential hemes and is notable for having one of the lowest number of amino acids utilized to maintain a characteristic protein fold and site specific heme function. Low temperature X-band EPR spectroscopy has been used to characterize the electronic configuration of the Fe(III) and the ligation mode for each heme. The three sets of EPR signals are assigned to individual hemes in the 3D crystal structure. The relative energy levels of the Fe(III) 3d orbitals for individual hemes was estimated from the principal g values. The observed g tensor anisotropy was used as a probe of electronic structure of each heme and differences were determined by specifics of axial ligation. To ensure unambiguous assignment of highly anisotropic low spin (HALS) signal to individual hemes, EPR analyses of iron atom electronic configurations have been supplemented with investigation of porphyrin macrocycles by 1D 1H NMR chemical shift patterns for the methyl substituents. Within optimized geometry of hemes in PpcA the magnetic interactions between hemes were found to be minimal, similar to c3 family of tetraheme cytochromes.

  19. 2D/3D quench simulation using ANSYS for epoxy impregnated Nb3Sn high field magnets

    Energy Technology Data Exchange (ETDEWEB)

    Ryuji Yamada et al.

    2002-09-19

    A quench program using ANSYS is developed for the high field collider magnet for three-dimensional analysis. Its computational procedure is explained. The quench program is applied to a one meter Nb{sub 3}Sn high field model magnet, which is epoxy impregnated. The quench simulation program is used to estimate the temperature and mechanical stress inside the coil as well as over the whole magnet. It is concluded that for the one meter magnet with the presented cross section and configuration, the thermal effects due to the quench is tolerable. But we need much more quench study and improvements in the design for longer magnets.

  20. 2-D/3-D quench simulation using ANSYS for epoxy impregnated $Nb_{3}$ Sn high field magnets

    CERN Document Server

    Yamada, R; Marscin, E; Rey, J M; Wake, M

    2003-01-01

    A quench program using ANSYS is developed for the high field collider magnet for 3-D analysis. Its computational procedure is explained. The quench program is applied to a one meter Nb/sub 3/Sn high field model magnet, which is epoxy impregnated. The quench simulation program is used to estimate the temperature and mechanical stress inside the coil as well as over the whole magnet. It is concluded that for the one meter magnet with the presented cross section and configuration, the thermal effects due to the quench is tolerable. But we need much more quench study and improvements in the design for longer magnets. (6 refs).

  1. Pelvic endometriosis: a comparison between low-field (0.2 T) and high-field (1.5 T) magnetic resonance imaging

    Energy Technology Data Exchange (ETDEWEB)

    Minaif, Karine; Ajzen, Sergio [Universidade Federal de Sao Paulo (UNIFESP/EPM), SP (Brazil). Dept. of Imaging Diagnosis]. E-mail: kminaif@uol.com.br; Shigueoka, David Carlos; Minami, Cintia Cristina Satie; Sales, Danilo Moulin; Szejnfeld, Jacob [Universidade Federal de Sao Paulo (UNIFESP/EPM), SP (Brazil). Dept. of Imaging Diagnosis. Unit of Abdomen; Ruano, Jose Maria Cordeiro [Universidade Federal de Sao Paulo (UNIFESP/EPM), SP (Brazil). Dept. of General Gynecology. Sector of Videlaparoscopy; Noguti, Alberto Sinhiti [Universidade Federal de Sao Paulo (UNIFESP/EPM), SP (Brazil). Dept. of General Gynecology

    2008-11-15

    Objective: to compare low-field (0.2 T) with high-field (1.5 T) magnetic resonance imaging in the assessment of pelvic endometriosis and adenomyosis. Materials and methods: twenty-seven female patients with clinically suspected endometriosis were prospectively evaluated by means of high-field and low-field magnetic resonance imaging. The reading of the images was performed by a single radiologist, initiating by the low-field, followed by the high-field images. High-field magnetic resonance imaging was utilized as the golden-standard. Results: among the 27 patients included in the present study, 18 (66.7%) had some type of lesion suggesting the presence of endometriosis demonstrated at high-field images. In 14 of these patients the diagnosis was correctly established by low-field magnetic resonance imaging. Endometriomas, tubal lesions, and endometriotic foci > 7 mm identified at the high-field images were also identified at low-field images with 100% accuracy, sensitivity and specificity. Among the nine patients diagnosed with adenomyosis by high-field images, eight were correctly diagnosed by low-field images with 88.9% accuracy, specificity and sensitivity. Conclusion: low-field magnetic resonance imaging demonstrated a low sensitivity in the detection of small endometriotic foci, high sensitivity in the detection of endometriomas and large endometriotic foci, and high accuracy in the detection of adenomyosis when compared with high-field magnetic resonance imaging. (author)

  2. Considerations on a Cost Model for High-Field Dipole Arc Magnets for FCC

    CERN Document Server

    AUTHOR|(CDS)2078700; Durante, Maria; Lorin, Clement; Martinez, Teresa; Ruuskanen, Janne; Salmi, Tiina; Sorbi, Massimo; Tommasini, Davide; Toral, Fernando

    2017-01-01

    In the frame of the European Circular Collider (EuroCirCol), a conceptual design study for a post-Large Hadron Collider (LHC) research infrastructure based on an energy-frontier 100 TeV circular hadron collider [1]–[3], a cost model for the high-field dipole arc magnets is being developed. The aim of the cost model in the initial design phase is to provide the basis for sound strategic decisions towards cost effective designs, in particular: (A) the technological choice of superconducting material and its cost, (B) the target performance of Nb3Sn superconductor, (C) the choice of operating temperature (D) the relevant design margins and their importance for cost, (E) the nature and extent of grading, and (F) the aperture’s influence on cost. Within the EuroCirCol study three design options for the high field dipole arc magnets are under study: cos − θ [4], block [5], and common-coil [6]. Here, in the advanced design phase, a cost model helps to (1) identify the cost drivers and feed-back this informati...

  3. EPR of photochromic Mo3+ in SrTiO3

    NARCIS (Netherlands)

    Kool, Th.W.

    2010-01-01

    In single crystals of SrTiO_3, a paramagnetic center, characterized by S = 3/2 and hyperfine interaction with an I = 5/2 nuclear spin has been observed in the temperature range 4.2K-77K by means of EPR. The impurity center is attributed to Mo3+. No additional line splitting in the EPR spectrum due

  4. Characterization of Bifunctional Spin Labels for Investigating the Structural and Dynamic Properties of Membrane Proteins Using EPR Spectroscopy.

    Science.gov (United States)

    Sahu, Indra D; Craig, Andrew F; Dunagum, Megan M; McCarrick, Robert M; Lorigan, Gary A

    2017-10-05

    Site-directed spin labeling (SDSL) coupled with electron paramagnetic resonance (EPR) spectroscopy is a very powerful technique to study structural and dynamic properties of membrane proteins. The most widely used spin label is methanthiosulfonate (MTSL). However, the flexibility of this spin label introduces greater uncertainties in EPR measurements obtained for determining structures, side-chain dynamics, and backbone motion of membrane protein systems. Recently, a newer bifunctional spin label (BSL), 3,4-bis(methanethiosulfonylmethyl)-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-yloxy, has been introduced to overcome the dynamic limitations associated with the MTSL spin label and has been invaluable in determining protein backbone dynamics and inter-residue distances due to its restricted internal motion and fewer size restrictions. While BSL has been successful in providing more accurate information about the structure and dynamics of several proteins, a detailed characterization of the spin label is still lacking. In this study, we characterized BSLs by performing CW-EPR spectral line shape analysis as a function of temperature on spin-labeled sites inside and outside of the membrane for the integral membrane protein KCNE1 in POPC/POPG lipid bilayers and POPC/POPG lipodisq nanoparticles. The experimental data revealed a powder pattern spectral line shape for all of the KCNE1-BSL samples at 296 K, suggesting the motion of BSLs approaches the rigid limit regime for these series of samples. BSLs were further utilized to report for the first time the distance measurement between two BSLs attached on an integral membrane protein KCNE1 in POPC/POPG lipid bilayers at room temperature using dipolar line broadening CW-EPR spectroscopy. The CW dipolar line broadening EPR data revealed a 15 ± 2 Å distance between doubly attached BSLs on KCNE1 (53/57-63/67) which is consistent with molecular dynamics modeling and the solution NMR structure of KCNE1 which yielded a

  5. EPR investigations on radiation induced chemical transformations in Pd(ClO4)2/i-PrOH/HClO4 system from 77 to 300 K.

    Science.gov (United States)

    Tripathi, S C; Kadam, R M; Kumar, Manmohan; Mittal, J P; Mishra, S P

    2005-12-01

    The EPR studies have been carried out on gamma irradiated samples of Pd(ClO4)2 in 9 M/4M HClO4 in the presence and absence of isopropanol [i-PrOH (5%, v/v)], in the temperature range of 77-300 K. The EPR studies revealed the formation of Pd+ complex, Pd3+ complex and several radicals such as H., OH., ClO3., ClO4. and O3- on radiolysis of these systems. Reduction of Pd2+ to Pd clusters could not be observed in the absence of i-PrOH and warming of the irradiated sample finally resulted in recovery of Pd2+ complex. However, in the presence of 5% i-PrOH, strongly oxidizing radicals like OH., ClO3. and ClO4. are suppressed and (CH3)2C.OH radical was produced along with reducing species like H.. EPR spectra in these strongly reducing conditions showed formation of Pd+ complex, which on heating above 230 K, disproportionated into Pd0 and Pd2+ complex and finally lead to formation of Pd metal aggregates. Simultaneously, pulse radiolysis technique has been employed as an alternative method to verify the EPR observations.

  6. On the Correlation between EPR and Positron Annihilation Measurements on gamma-Irradiated Acetyl Methionine

    DEFF Research Database (Denmark)

    Eldrup, Morten Mostgaard; Lund-Thomsen, E.; Mogensen, O. E.

    1972-01-01

    The dose dependence of the relative EPR signal intensity and positron lifetime spectrum was measured for γ‐irradiated acetyl methionine in the dose range from 0 to 30 Mrad. Angular correlation measurements were performed for the doses 0 and 30 Mrad. The result of the irradiation was the creation...... of EPR centers and inhibition of positronium formation. For one sample, irradiated with a dose of 30 Mrad, EPR and positron lifetime spectra were followed over a period of 50 days after the irradiation. The inhibiting effect and the EPR signal intensity decreased with time. No simple correlation could...... be established between the number of EPR centers and the positron annihilation data, but other possible explanations are discussed....

  7. Design and testing of a 750MHz CW-EPR digital console for small animal imaging.

    Science.gov (United States)

    Sato-Akaba, Hideo; Emoto, Miho C; Hirata, Hiroshi; Fujii, Hirotada G

    2017-11-01

    This paper describes the development of a digital console for three-dimensional (3D) continuous wave electron paramagnetic resonance (CW-EPR) imaging of a small animal to improve the signal-to-noise ratio and lower the cost of the EPR imaging system. A RF generation board, an RF acquisition board and a digital signal processing (DSP) & control board were built for the digital EPR detection. Direct sampling of the reflected RF signal from a resonator (approximately 750MHz), which contains the EPR signal, was carried out using a band-pass subsampling method. A direct automatic control system to reduce the reflection from the resonator was proposed and implemented in the digital EPR detection scheme. All DSP tasks were carried out in field programmable gate array ICs. In vivo 3D imaging of nitroxyl radicals in a mouse's head was successfully performed. Copyright © 2017 Elsevier Inc. All rights reserved.

  8. Dosimetry of stereotactic radiosurgery using lithium formate EPR dosimeters

    Science.gov (United States)

    Waldeland, Einar; Hörling, Magnus; Olaug Hole, Eli; Sagstuen, Einar; Malinen, Eirik

    2010-04-01

    Small lithium formate EPR (electron paramagnetic resonance) dosimeters (diameter 3 mm, height 2 mm) were produced and employed for 2D dosimetry of stereotactic radiosurgery (SRS). An anthropomorphic head phantom with an in-house made insert holding 45 lithium formate dosimeters was used. A spherical target was outlined centrally in planning CT images of the head and an SRS dose plan with three arcs was made using the iPlan planning system. Beam collimation was achieved with the BrainLAB m3 micro-MLC. The minimum target dose was 15 Gy. The planned dose distribution was compared to measurements. For dosimetry, a dosimeter calibration series was generated with doses from 1 to 20 Gy. At the treatment unit, three replicate measurement series were performed. The measurements gave on average 2.2% lower dose at the plateau of the dose distribution compared to the dose plan. Larger differences were seen in the penumbra, where the dose plan underestimated the dose gradients. By repeated measurements, the systematic and random error in the SRS delivery was estimated to less than 1 mm. In conclusion, the planning system produced an intracranial dose distribution with tolerable accuracy. Furthermore, small lithium formate EPR dosimeters were useful for measuring SRS dose distributions.

  9. Identification of irradiated food by EPR-spectroscopy and tomography

    Energy Technology Data Exchange (ETDEWEB)

    Groth, N. (KAI e.V., Tomographie-Labor, Berlin (Germany)); Anders, B. (Technische Fachhochschule Berlin (Germany). Fachbereich Mathematik/Physik); Maerzke, A. (Forschungsstelle fuer Ortsaufloesende Messtechnik e.V., Berlin (Germany)); Nitschke, S. (KAI e.V., Tomographie-Labor, Berlin (Germany)); Schlawe, R. (Forschungsstelle fuer Ortsaufloesende Messtechnik e.V., Berlin (Germany)); Herrling, T. (KAI e.V., Tomographie-Labor, Berlin (Germany))

    1993-01-01

    Food irradiation is used to kill harmful microorganisms (e.g. salmonella), this improving food safety and extending the shelf-life. The electron paramagnetic resonance (EPR) detection of stable, radiation-induced free radicals within the matrix of calcified tissue is well established. An extention of this technique to food provides in suitable cases one of the most promissing methods for detecting that irradiation has been performed. It provides an excellent method for the identification of irradiated foods containing bones or calcified cuticle even in the absence of unirradiated controls. Bones of chicken, pepper grains and lentils were also identified as irradiated some weeks after radiation treatment. The method is rapid and can detect very low doses. With EPR - Tomography the 2D spatial distribution of the irradiation induced stable radicals in the cross section of a chicken bone was measured. The use of ionising radiation to treat certain foodstuffs is increasingly of interest and there is a need to determine wether irradiation has occured, and to what extent. (orig.)

  10. EPR investigations of gamma-irradiated ground black pepper

    Science.gov (United States)

    Polovka, Martin; Brezová, Vlasta; Staško, Andrej; Mazúr, Milan; Suhaj, Milan; Šimko, Peter

    2006-02-01

    The γ-radiation treatment of ground black pepper samples resulted in the production of three paramagnetic species ( GI- GIII) which arise from a different origin and have different thermal behavior and stability. The axially symmetric spectra can be characterized by the spin Hamiltonian parameters: GI ( g⊥=2.0060, g∥=2.0032; A⊥=0.85 mT, A∥=0.70 mT) and GII ( g⊥=2.0060, g∥=2.0050; A⊥=0.50 mT, A∥=0.40 mT) assigned to carbohydrate radical structures. The parameters of EPR signal GIII ( g⊥=2.0029, g∥=2.0014; A⊥=3.00 mT, A∥=1.80 mT) possessed features characteristic of cellulose radical species. The activation energies, evaluated by Arrhenius analysis, are in order Ea( GI)black pepper, where a decrease of ˜13% was found. The influence of γ-radiation treatment on the radical-scavenging activities of aqueous and ethanol extracts of black pepper were investigated by both an EPR spin trapping technique and DPPH assay. No changes were detected in either the water or ethanol extracts for a γ-irradiation dose of 10 kGy.

  11. Identification of irradiated oysters by EPR measurements on shells

    Energy Technology Data Exchange (ETDEWEB)

    Della Monaca, S., E-mail: sara.dellamonaca@iss.it [Istituto Superiore di Sanita, viale Regina Elena, 299 Rome (Italy); Fattibene, P.; Boniglia, C.; Gargiulo, R.; Bortolin, E. [Istituto Superiore di Sanita, viale Regina Elena, 299 Rome (Italy)

    2011-09-15

    In this paper the EPR spectra of the radicals induced in oyster shells after irradiation to (0.5-2) kGy ionizing radiation doses are analyzed. EPR spectra of irradiated shells showed the complex radical composition of biocarbonates, characterized by the presence of SO{sub 2}{sup -}, SO{sub 3}{sup -} and CO{sub 2}{sup -} radicals with different symmetries. In particular, the radiation-induced line at g = 2.0038, due to the g{sub x} component of the orthorhombic SO{sub 3}{sup -}, was well distinguishable from the rest of the spectrum. The g{sub x} component of the orthorhombic SO{sub 3}{sup -} was found to be intense and stable enough to allow the identification at least for the whole shelf life of the oyster. Furthermore, it is still well visible at low microwave powers for which the other signals are weak or non-visible and has a linear dose response in the (0.5-2) kGy range. A possible procedure protocol for the identification of irradiated oysters, can be based on acquisitions of the spectrum at low microwave power values (tenths of milliWatt) and low modulation amplitude values (0.03-0.05 mT) and on the identification of the g = 2.0038 signal as a proof of the ionizing radiation treatment performed on the sample.

  12. SIMULACIÓN DEL ESPECTRO EPR DEL RADICAL CO2-

    Directory of Open Access Journals (Sweden)

    Eduar Enrique Carvajal Taborda

    2013-09-01

    Full Text Available La  dosimetría EPR se basa en el hecho de que las radiaciones ionizantes interaccionan con el tejido mineralizado, en este caso es esmalte dental y tejido óseo, generan los radicales CO2- estables a temperatura ambiente y de larga vida cuya concentración depende de la dosis recibida. La cuantificación de estos radicales libres se hace por EPR, cuyo espectro característico consta de dos líneas, una muy intensa y otra de menor intensidad. En este trabajo identificamos teóricamente estas dos líneas solucionando el Hamiltoniano de espín electrónico y  simulando el espectro experimental, encontramos que el espectro ERP del radical CO2- es producido por la interacción del espín del electrón desapareado con el campo magnético externo y que el radical CO2- está ubicado en una simetría local axial.

  13. High field magnetization and specific heat of ErNi{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Kayzel, F.E.; Franse, J.J.M. [Univ. van Amsterdam (Netherlands). Van der Waals-Zeeman Lab.; Radwanski, R.J. [Centre for Solid State Physics, Krakow (Poland)

    1994-03-01

    High field magnetization studies of single crystalline ErNi{sub 5} in fields up to 38T at 1.5K along the main crystallographic directions have been performed. Along the easy direction, the hexagonal axis, the spontaneous magnetization, M{sub s}, amounts to 8.62{mu}{sub B}/f.u. The high-field susceptibility is very small and equal to 41 {times} 10{sup {minus}4}{mu}{sub B}/Tf.u. There exists a distinct difference between the curves along the a- and b-axis. The a-axis curve monotonously increases with field up to 38T. The b-axis curve coincides with the a-axis curve up to 12T but starts to deviate from it above this field, resulting in a value for the magnetization at 38T which is almost the full moment value. The specific beat of a newly-grown single-crystalline sample has been measured in zero field and in applied fields along the c-axis (B = 0.3, 1, 2, 5T). The zero-field measurements coincide with previously reported results The specific heat shows a rapid decrease of the ferrimagnetic order with applied field. Already in 1T, the sharp lambda-type of peak at the magnetic transition is decreased by two third and becomes a broad bump that coincides with the la measurement above 30K. Higher fields further suppress the transition.

  14. High field volume coil with unbalance current distribution for MRI applications of rodents

    Science.gov (United States)

    Marrufo, O. R.; Hernández, J.; Rodríguez, A. O.

    2010-12-01

    The development of transceiver volume coils for high field MRI is still a very dynamic field of investigation and development Temnikov has been recently proposed a new volume coil design, similar to the to the gradiometer coil. It is also claimed that it is possible to individually tune it with a single chip capacitor. This motivated the development of a coil prototype based on this idea for whole-body MRI of rodents at 7 Tesla. Electromagnetic simulations of the RF field generated by this coil design were previously performed to study its properties. Electromagnetic simulations were also conducted for a standard birdcage coil with similar dimensions for fare comparison. In all numerical simulations, an unbalanced currents distribution was assumed by applying half the current intensity to designated legs. This coil design operated in the transceiver mode and was linear-driven. The coil size was manufactured to accommodate small rodents. Numerical simulations showed a field uniformity improvement of our coil over the standard birdcage coil. A popular birdcage coil was also constructed to compare their performances. Phantom and rat images were acquired for both volume coils to prove the viability of this coil design for high field MRI applications and standard spin echo pulse sequences Thus, these preliminary results make this coil design a good candidate for MRI and MRS applications of high magnetic fields.

  15. The role of high-field magnetic resonance imaging in parkinsonian disorders: Pushing the boundaries forward.

    Science.gov (United States)

    Lehericy, Stéphane; Vaillancourt, David E; Seppi, Klaus; Monchi, Oury; Rektorova, Irena; Antonini, Angelo; McKeown, Martin J; Masellis, Mario; Berg, Daniela; Rowe, James B; Lewis, Simon J G; Williams-Gray, Caroline H; Tessitore, Alessandro; Siebner, Hartwig R

    2017-04-01

    Historically, magnetic resonance imaging (MRI) has contributed little to the study of Parkinson's disease (PD), but modern MRI approaches have unveiled several complementary markers that are useful for research and clinical applications. Iron- and neuromelanin-sensitive MRI detect qualitative changes in the substantia nigra. Quantitative MRI markers can be derived from diffusion weighted and iron-sensitive imaging or volumetry. Functional brain alterations at rest or during task performance have been captured with functional and arterial spin labeling perfusion MRI. These markers are useful for the diagnosis of PD and atypical parkinsonism, to track disease progression from the premotor stages of these diseases and to better understand the neurobiological basis of clinical deficits. A current research goal using MRI is to generate time-dependent models of the evolution of PD biomarkers that can help understand neurodegeneration and provide reliable markers for therapeutic trials. This article reviews recent advances in MRI biomarker research at high-field (3T) and ultra high field-imaging (7T) in PD and atypical parkinsonism. © 2017 The Authors. Movement Disorders published by Wiley Periodicals, Inc. on behalf of International Parkinson and Movement Disorder Society. © 2017 The Authors. Movement Disorders published by Wiley Periodicals, Inc. on behalf of International Parkinson and Movement Disorder Society.

  16. Widespread inflammation in CLIPPERS syndrome indicated by autopsy and ultra-high-field 7T MRI

    DEFF Research Database (Denmark)

    Blaabjerg, Morten; Ruprecht, Klemens; Sinnecker, Tim

    2016-01-01

    OBJECTIVE: To examine if there is widespread inflammation in the brain of patients with chronic lymphocytic inflammation with pontine perivascular enhancement responsive to steroids (CLIPPERS) syndrome by using histology and ultra-high-field MRI at 7.0T. METHODS: We performed a detailed neuropath......OBJECTIVE: To examine if there is widespread inflammation in the brain of patients with chronic lymphocytic inflammation with pontine perivascular enhancement responsive to steroids (CLIPPERS) syndrome by using histology and ultra-high-field MRI at 7.0T. METHODS: We performed a detailed...... neuropathologic examination in 4 cases, including 1 autopsy case, and studied 2 additional patients by MRI at 7.0T to examine (1) extension of inflammation to areas appearing normal on 3.0T MRI, (2) potential advantages of 7.0T MRI compared to 3.0T MRI in reflecting widespread inflammation, perivascular pathology......, and axonal damage, and (3) the possibility of lymphoma. RESULTS: In the autopsy case, perivascular inflammation dominated by CD4+ T cells was not only detected in the brainstem and cerebellum but also in brain areas with normal appearance on 3.0T MRI, including supratentorial regions and cranial nerve roots...

  17. Feasibility of in vivo three-dimensional T 2* mapping using dicarboxy-PROXYL and CW-EPR-based single-point imaging.

    Science.gov (United States)

    Kubota, Harue; Komarov, Denis A; Yasui, Hironobu; Matsumoto, Shingo; Inanami, Osamu; Kirilyuk, Igor A; Khramtsov, Valery V; Hirata, Hiroshi

    2017-06-01

    The aim of this study was to demonstrate the feasibility of in vivo three-dimensional (3D) relaxation time T 2* mapping of a dicarboxy-PROXYL radical using continuous-wave electron paramagnetic resonance (CW-EPR) imaging. Isotopically substituted dicarboxy-PROXYL radicals, 3,4-dicarboxy-2,2,5,5-tetra(2H3)methylpyrrolidin-(3,4-2H2)-(1-15N)-1-oxyl (2H,15N-DCP) and 3,4-dicarboxy-2,2,5,5-tetra(2H3)methylpyrrolidin-(3,4-2H2)-1-oxyl (2H-DCP), were used in the study. A clonogenic cell survival assay was performed with the 2H-DCP radical using squamous cell carcinoma (SCC VII) cells. The time course of EPR signal intensities of intravenously injected 2H,15N-DCP and 2H-DCP radicals were determined in tumor-bearing hind legs of mice (C3H/HeJ, male, n = 5). CW-EPR-based single-point imaging (SPI) was performed for 3D T 2* mapping. 2H-DCP radical did not exhibit cytotoxicity at concentrations below 10 mM. The in vivo half-life of 2H,15N-DCP in tumor tissues was 24.7 ± 2.9 min (mean ± standard deviation [SD], n = 5). The in vivo time course of the EPR signal intensity of the 2H,15N-DCP radical showed a plateau of 10.2 ± 1.2 min (mean ± SD) where the EPR signal intensity remained at more than 90% of the maximum intensity. During the plateau, in vivo 3D T 2* maps with 2H,15N-DCP were obtained from tumor-bearing hind legs, with a total acquisition time of 7.5 min. EPR signals of 2H,15N-DCP persisted long enough after bolus intravenous injection to conduct in vivo 3D T 2* mapping with CW-EPR-based SPI.

  18. Internal in vitro dosimetry for fish using hydroxyapatite-based EPR detectors

    Energy Technology Data Exchange (ETDEWEB)

    Ivanov, D.V. [Urals Division of Russian Academy of Sciences, Institute of Metal Physics, Yekaterinburg (Russian Federation); Ural Federal University, Yekaterinburg (Russian Federation); Shishkina, E.A.; Osipov, D.I.; Pryakhin, E.A. [Urals Research Center for Radiation Medicine, Chelyabinsk (Russian Federation); Razumeev, R.A. [Ural Federal University, Yekaterinburg (Russian Federation)

    2015-08-15

    A number of aquatic ecosystems were exposed to ionizing radiation as a result of the activities of the Mayak Production Association in the Southern Urals, former Soviet Union, in the 1950s. Currently, fishes inhabiting contaminated lakes are being actively studied. These investigations need dosimetric support. In the present paper the results of a pilot study for elaborating an EPR dosimeter which can be used for internal dosimetry in vitro are described. Biological hydroxyapatite is proposed here to be used as a detecting substance. More specifically, small hydroxyapatite grains are proposed for use as point detectors fixed in a solid matrix. After having been pelletized, the detectors were covered by Mylar and placed in the body of a fish to be stored in the fridge for several months. Application of the detectors for internal fish dosimetry demonstrated that the enamel sensitivity is sufficient for passive detection of ionizing radiation in fishes inhabiting contaminated lakes in the Southern Urals. (orig.)

  19. THERMAL MODELS FOR THE FRESCA2 HIGH FIELD MAGNET

    CERN Document Server

    Pietrowicz, S

    2012-01-01

    This report presents the thermal studies and measurement that have been realized, at CEA Saclay, for the thermal design of the Fresca 2 magnet under development in EuCARD HFM program. The first part of the report is dedicated to the numerical study of the thermal behaviour of the Fresca 2 magnet in He II. The second part of the report concerns the experimental measurement on two composite insulation systems made of cyanate ester epoxy mix and tri-functional epoxy (TGPAP-DETDA) with S-glass fiber.

  20. High field magnetization of R sub 2 T sub 17 compounds

    Energy Technology Data Exchange (ETDEWEB)

    Franse, J.J.M.; Kayzel, F.E.; Marquina, C.; Radwanski, R.J.; Verhoef, R. (Van der Waals-Zeeman Lab., Univ. Amsterdam (Netherlands))

    1992-04-03

    A summary is presented of high field magnetization studies on the R{sub 2}T{sub 17} compounds (R = rare earth, T = Fe, Co or Ni). The different types of transitions that have been observed in magnetization studies on single-crystal samples along different crystallographic directions are mentioned. By analysing the transition fields, valuable information is obtained either on the strength of the R-T coupling or on the crystal field interactions of the rare earth ions. In addition, experiments are reported on powdered samples that are free to rotate in the applied magnetic field. This experimental technique provides a rather simple experimental approach to the intersublattice coupling in ferrimagnetic R-T compounds. (orig.).

  1. Analyzing three-player quantum games in an EPR type setup.

    Science.gov (United States)

    Chappell, James M; Iqbal, Azhar; Abbott, Derek

    2011-01-01

    We use the formalism of Clifford Geometric Algebra (GA) to develop an analysis of quantum versions of three-player non-cooperative games. The quantum games we explore are played in an Einstein-Podolsky-Rosen (EPR) type setting. In this setting, the players' strategy sets remain identical to the ones in the mixed-strategy version of the classical game that is obtained as a proper subset of the corresponding quantum game. Using GA we investigate the outcome of a realization of the game by players sharing GHZ state, W state, and a mixture of GHZ and W states. As a specific example, we study the game of three-player Prisoners' Dilemma.

  2. Analyzing three-player quantum games in an EPR type setup.

    Directory of Open Access Journals (Sweden)

    James M Chappell

    Full Text Available We use the formalism of Clifford Geometric Algebra (GA to develop an analysis of quantum versions of three-player non-cooperative games. The quantum games we explore are played in an Einstein-Podolsky-Rosen (EPR type setting. In this setting, the players' strategy sets remain identical to the ones in the mixed-strategy version of the classical game that is obtained as a proper subset of the corresponding quantum game. Using GA we investigate the outcome of a realization of the game by players sharing GHZ state, W state, and a mixture of GHZ and W states. As a specific example, we study the game of three-player Prisoners' Dilemma.

  3. Synthesis, crystal structure and EPR spectra of tetraaquabis(methylisonicotinate) copper(II) disaccharinate single crystal

    Science.gov (United States)

    Çelik, Yunus; Bozkurt, Esat; Uçar, İbrahim; Karabulut, Bünyamin

    2011-10-01

    The crystal structure of the [Cu(mein)2(H2O)4]·(sac)2 complex (mein: methylisonicotinate, sac: saccharine) was investigated by single crystal X-ray diffraction technique. The vibrational spectrum was also discussed in relation with the other compounds containing methylisonicotinate and saccharinate complexes. The EPR spectra of [Cu(mein)2(H2O)4]·(sac)2 single crystal have been studied in the temperature range between 113 and 300 K in three mutually perpendicular planes and exhibit two sets of four hyperfine lines of Cu2+ ion. The ground state wave function of the Cu2+ ion is an admixture of dx2-y2 and dz2 states.

  4. Evalution of the EPR effect in dogs with spontaneous tumors and its implications on nanotherapies

    DEFF Research Database (Denmark)

    Andresen, Thomas Lars

    2013-01-01

    Nanoparticles are well established as effective drug delivery systems and have potential in biomedical imaging as a diagnostic tool. We have recently developed a highly efficient method for utilizing liposomes as agents in positron emission tomography (PET) imaging giving high resolution images...... and allowing direct quantification of liposome tissue distribution and blood clearance. Our approach is based on remote loading of a copper-radionuclide (64Cu) into preformed liposomes and copper entrapment by an encapsulated copper-chelator. We show that the 64Cu-liposomes provide quantitative in vivo imaging...... in canines with spontaneous tumors using PET. Seven canines with spontaneous tumors were included in the study where the main focus was to evaluate the EPR effect in large animals with spontaneous tumors and the performance of the developed liposome imaging agent. None of the included dogs displayed any...

  5. EPR dosimetry of teeth in past and future accidents. A prospective look at a retrospective method

    Energy Technology Data Exchange (ETDEWEB)

    Haskell, E.; Kenner, G.; Hayes, R. [Center for Applied Dosimetry, Salt Lake City, UT (United States); Chumak, V.; Shalom, S.

    1996-12-31

    Accurate assessments of doses received by individuals exposed to radiation from nuclear accidents and incidents such as those at Hiroshima and Nagasaki, the Nevada test site, Chelyabinsk and Mayak are required for epidemiological studies seeking to establish relationships between radiation dose and health effects. One method of retrospective dosimetry which allows for measurement of cumulative gamma ray doses received by exposed individuals is electron paramagnetic resonance spectroscopy (EPR) of tooth enamel. Tooth enamel stores and retains, indefinitely, information on absorbed radiation dose; and teeth are available in every population as a result of dental extraction for medical reasons including periodontal disease and impacted wisdom teeth. In the case of children, deciduous teeth, which are shed between the ages of 7 and 13, can be a very important dosimetric source if documented collection is implemented shortly following an accident. (author)

  6. EPR dosimetry teeth in past and future accidents: A prospective look at a retrospective method

    Energy Technology Data Exchange (ETDEWEB)

    Haskell, E.; Kenner, G.; Hayes, R. [Univ. of Utah, Salt Lake City, UT (United States). Center for Applied Dosimetry; Chumak, V.; Shalom, S. [Scientific Center for Radiation Medicine, Kiev (Ukraine)

    1997-03-01

    Accurate assessments of doses received by individuals exposed to radiation from nuclear accidents and incidents such as those at Hiroshima and Nagasaki, the Nevada test site, Cheliabinsk and Mayak are required for epidemiological studies seeking to establish relationships between radiation dose and health effects. One method of retrospective dosimetry which allows for measurement of cumulative gamma ray doses received by exposed individuals is electron paramagnetic resonance spectroscopy (EPR) of tooth enamel. Tooth enamel stores and retains, indefinitely, information on absorbed radiation dose. And teeth are available in every population as a result of dental extraction for medical reasons including periodontal disease and impacted wisdom teeth. In the case of children, deciduous teeth, which are shed between the ages of 7 and 13, can be a very important dosimetric source if documented collection is implemented shortly following an accident.

  7. Prostate Cancer Characterization at Ultra-high Field MRI

    NARCIS (Netherlands)

    Luttje, M.P.

    2017-01-01

    Although the potential benefit of prostate examinations at 7 T including R2* mapping, 31P and 1H MRSI needs to be shown in clinical trials, our studies have exposed much more characteristics of prostate tissue in vivo. Using R2* mapping, chapter 3, it was shown that by diminishing potential

  8. EPR spectral investigation of radiation-induced radicals of gallic acid

    Energy Technology Data Exchange (ETDEWEB)

    Tuner, Hasan [Balikesir University, Department of Physics, Faculty of Art and Science, Balikesir (Turkey)

    2017-11-15

    In the present work, spectroscopic features of the radiation-induced radicals of gallic acid compounds were investigated using electron paramagnetic resonance (EPR) spectroscopy. While un-irradiated samples presented no EPR signal, irradiated samples exhibited an EPR spectrum consisting of an intense resonance line at the center and weak lines on both sides. Detailed microwave saturation investigations were carried out to determine the origin of the experimental EPR lines. It is concluded that the two side lines of the triplet satellite originate from forbidden ''spin-flip'' transitions. The spectroscopic and structural features of the radiation-induced radicals were determined using EPR spectrum fittings. The experimental EPR spectra of the two gallic acid compounds were consistent with the calculated EPR spectroscopic features of the proposed radicals. It is concluded that the most probable radicals are the cyclohexadienyl-type, O(OH){sub 2}C{sub 6}H{sub 2}COOH radicals for both compounds. (orig.)

  9. EPR and optical absorption of VO{sup 2+} impurity in lithium potassium sulphate single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Kripal, Ram, E-mail: ram_kripal2001@rediffmail.co [Department of Physics, University of Allahabad, Allahabad 211002 (India); Maurya, Manju, E-mail: mmanju8@yahoo.co.i [Department of Physics, University of Allahabad, Allahabad 211002 (India)

    2009-05-01

    Electron paramagnetic resonance (EPR) and optical absorption studies of VO{sup 2+} doped lithium potassium sulphate single crystals are carried out at room temperature. The angular variation of the spectra is studied in the crystallographic a*b, bc and ca* plane. Vanadyl is found to have fixed orientations in the lattice and there are two magnetically inequivalent complexes in the lattice. The spin Hamiltonian parameters obtained from single crystal data for the two sites are, Site I: g{sub xx}=2.0015+-0.0002, g{sub yy}=1.9835+-0.0002, g{sub zz}=1.9211+-0.0002, A{sub xx}=(48+-2)x10{sup -4} cm{sup -1}, A{sub yy}=(64+-2)x10{sup -4} cm{sup -1}, A{sub zz}=(169+-2)x10{sup -4} cm{sup -1}, Site II: g{sub xx}=2.0019+-0.0002, g{sub yy}=1.9796+-0.0002, g{sub zz} =1.9225+-0.0002, A{sub xx}=(48+-2)x10{sup -4} cm{sup -1}, A{sub yy}=(83+-2)x10{sup -4} cm{sup -1}, A{sub zz}=(178+-2)x10{sup -4} cm{sup -1}. The first three bands observed in optical absorption spectrum are attributed to d-d transitions and the last band is probably charge transfer band. The band positions are calculated using energy expressions and compared with the observed values to confirm the transitions. Crystal field parameter (D{sub q}) and tetragonal parameters (D{sub s} and D{sub t}) are also evaluated. Using EPR and optical results, the molecular orbital parameters of VO{sup 2+} ions in the lattice are evaluated with a tetragonal symmetry approximation (because the rhombic part is small) and the nature of bonding in the complex is discussed.

  10. Quantum secure direct communication by EPR pairs and entanglement swapping

    CERN Document Server

    Gao, T; Yan, F L; 10.1393/ncb/i2004-10090-1

    2004-01-01

    We present, a quantum secure direct communication scheme achieved by swapping quantum entanglement. In this scheme a set of ordered Einstein-Podolsky-Rosen (HPIl) pairs is used as a quantum information channel for sending secret messages directly. After insuring the safety of the quantum channel, the sender Alice encodes the secret messages directly by applying a series local operations on her particle sequences according to their stipulation. Using three EPR pairs, three bits of secret classical information can be faithfully transmitted from Alice to remote Bob without revealing any information to a potential eavesdropper. By both Alice and Bob's GHZ state measurement results, Bob is able to read out the encoded secret messages directly. The protocol is completely secure if perfect quantum channel is used, because there is not a transmission of the qubits carrying the secret message between Alice and Bob in the public channel.

  11. Design of High Field Solenoids made of High Temperature Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Bartalesi, Antonio; /Pisa U.

    2010-12-01

    This thesis starts from the analytical mechanical analysis of a superconducting solenoid, loaded by self generated Lorentz forces. Also, a finite element model is proposed and verified with the analytical results. To study the anisotropic behavior of a coil made by layers of superconductor and insulation, a finite element meso-mechanic model is proposed and designed. The resulting material properties are then used in the main solenoid analysis. In parallel, design work is performed as well: an existing Insert Test Facility (ITF) is adapted and structurally verified to support a coil made of YBa{sub 2}Cu{sub 3}O{sub 7}, a High Temperature Superconductor (HTS). Finally, a technological winding process was proposed and the required tooling is designed.

  12. N-player quantum games in an EPR setting.

    Science.gov (United States)

    Chappell, James M; Iqbal, Azhar; Abbott, Derek

    2012-01-01

    The N-player quantum games are analyzed that use an Einstein-Podolsky-Rosen (EPR) experiment, as the underlying physical setup. In this setup, a player's strategies are not unitary transformations as in alternate quantum game-theoretic frameworks, but a classical choice between two directions along which spin or polarization measurements are made. The players' strategies thus remain identical to their strategies in the mixed-strategy version of the classical game. In the EPR setting the quantum game reduces itself to the corresponding classical game when the shared quantum state reaches zero entanglement. We find the relations for the probability distribution for N-qubit GHZ and W-type states, subject to general measurement directions, from which the expressions for the players' payoffs and mixed Nash equilibrium are determined. Players' N x N payoff matrices are then defined using linear functions so that common two-player games can be easily extended to the N-player case and permit analytic expressions for the Nash equilibrium. As a specific example, we solve the Prisoners' Dilemma game for general N ≥ 2. We find a new property for the game that for an even number of players the payoffs at the Nash equilibrium are equal, whereas for an odd number of players the cooperating players receive higher payoffs. By dispensing with the standard unitary transformations on state vectors in Hilbert space and using instead rotors and multivectors, based on Clifford's geometric algebra (GA), it is shown how the N-player case becomes tractable. The new mathematical approach presented here has wide implications in the areas of quantum information and quantum complexity, as it opens up a powerful way to tractably analyze N-partite qubit interactions.

  13. N-player quantum games in an EPR setting.

    Directory of Open Access Journals (Sweden)

    James M Chappell

    Full Text Available The N-player quantum games are analyzed that use an Einstein-Podolsky-Rosen (EPR experiment, as the underlying physical setup. In this setup, a player's strategies are not unitary transformations as in alternate quantum game-theoretic frameworks, but a classical choice between two directions along which spin or polarization measurements are made. The players' strategies thus remain identical to their strategies in the mixed-strategy version of the classical game. In the EPR setting the quantum game reduces itself to the corresponding classical game when the shared quantum state reaches zero entanglement. We find the relations for the probability distribution for N-qubit GHZ and W-type states, subject to general measurement directions, from which the expressions for the players' payoffs and mixed Nash equilibrium are determined. Players' N x N payoff matrices are then defined using linear functions so that common two-player games can be easily extended to the N-player case and permit analytic expressions for the Nash equilibrium. As a specific example, we solve the Prisoners' Dilemma game for general N ≥ 2. We find a new property for the game that for an even number of players the payoffs at the Nash equilibrium are equal, whereas for an odd number of players the cooperating players receive higher payoffs. By dispensing with the standard unitary transformations on state vectors in Hilbert space and using instead rotors and multivectors, based on Clifford's geometric algebra (GA, it is shown how the N-player case becomes tractable. The new mathematical approach presented here has wide implications in the areas of quantum information and quantum complexity, as it opens up a powerful way to tractably analyze N-partite qubit interactions.

  14. User acceptance by individuals of health telematics from distributed EPRs associated with knowledge couplers.

    Science.gov (United States)

    Scherrer, J R; Spahni, S; Boyer, C

    2000-01-01

    The patient in a hospital bed is also a private individual that might access his or her own Electronic Patient Record (EPR) in association with additional tools that are able to show critical up-to-date knowledge about diagnoses, clinical investigations or treatments. The distributed EPRs are shown here in full production with the DOMED application of DIOGENE 2. Besides, in order to facilitate an easier understanding of the EPRs by the patient, the HON Web Site services are at his or her disposal in this respect at the same terminal.

  15. Identification of irradiated fruit from the pectin-derived EPR signal

    Energy Technology Data Exchange (ETDEWEB)

    Deighton, N.; Glidewell, S.M.; Goodman, B.A.; McMillan, G.P.; Perombelon, M.C.M. [Scottish Crop Research Inst., Dundee (United Kingdom)

    1996-12-31

    An EPR method based upon the observation of an unidentified multiline spectrum has been reported for the detection of irradiated fruit (dried papaya, banana, dates). A similar long-lived EPR spectrum after irradiation of dried amorphous apple pectin (BDH, 6% methyl ester) suggesting that pectin might be the origin of the signal in the dried fruit. Compositions of pectins vary greatly according to source and also with the age of the fruit itself. Therefore, a series of pectins of citrus fruit and potato tuber origin have been investigated to examine the effects of different levels of esterification on the irradiation-induced EPR signal. (author).

  16. EPR investigation of some desiccated Ascomycota and Basidiomycota gamma-irradiated mushrooms

    Energy Technology Data Exchange (ETDEWEB)

    Bercu, V., E-mail: vbercu@gmail.co [University of Bucharest, Department of Atomic and Nuclear Physics, P.O. Box MG-11, 077125 Magurele (Ilfov) (Romania); Negut, C.D., E-mail: dnegut@nipne.r [University of Bucharest, Department of Atomic and Nuclear Physics, P.O. Box MG-11, 077125 Magurele (Ilfov) (Romania); Horia Hulubei National Institute for Physics and Nuclear Engineering, P.O. Box MG-6, 077125 Magurele (Ilfov) (Romania); Duliu, O.G., E-mail: duliu@b.astral.r [University of Bucharest, Department of Atomic and Nuclear Physics, P.O. Box MG-11, 077125 Magurele (Ilfov) (Romania)

    2010-12-15

    The suitability of the EPR spectroscopy for detection of {gamma}-irradiation in five species of dried mushroom, currently used in gastronomy: yellow morel-Morchella esculenta, (L.) Pers. (Phylum Ascomycota), button mushroom-Agaricus bisporus (J.E.Lange), Agaricus haemorrhoidarius Fr., golden chantarelle-Cantharellus cibarius Fr., as well as oyster mushroom-Pleurotus ostreatus (Jacq. ex Fr.) (Phylum Basidiomycota) is presented and discussed. Although after irradiation at doses up to 11 kGy, all specimens presented well defined EPR spectra, only A. bisporus EPR signal was enough stable to make detection possible after 18 months.

  17. EPR investigation of some desiccated Ascomycota and Basidiomycota gamma-irradiated mushrooms

    Science.gov (United States)

    Bercu, V.; Negut, C. D.; Duliu, O. G.

    2010-12-01

    The suitability of the EPR spectroscopy for detection of γ-irradiation in five species of dried mushroom, currently used in gastronomy: yellow morel— Morchella esculenta, (L.) Pers. (Phylum Ascomycota), button mushroom— Agaricus bisporus (J.E.Lange), Agaricus haemorrhoidarius Fr., golden chantarelle— Cantharellus cibarius Fr., as well as oyster mushroom— Pleurotus ostreatus (Jacq. ex Fr.) (Phylum Basidiomycota) is presented and discussed. Although after irradiation at doses up to 11 kGy, all specimens presented well defined EPR spectra, only A. bisporus EPR signal was enough stable to make detection possible after 18 months.

  18. Physical processes in high field insulating liquid conduction

    Science.gov (United States)

    Mazarakis, Michael; Kiefer, Mark; Leckbee, Joshua; Anderson, Delmar; Wilkins, Frank; Obregon, Robert

    2017-10-01

    In the power grid transmission where a large amount of energy is transmitted to long distances, High Voltage DC (HVDC) transmission of up to 1MV becomes more attractive since is more efficient than the counterpart AC. However, two of the most difficult problems to solve are the cable connections to the high voltage power sources and their insulation from the ground. The insulating systems are usually composed of transformer oil and solid insulators. The oil behavior under HVDC is similar to that of a weak electrolyte. Its behavior under HVDC is dominated more by conductivity than dielectric constant. Space charge effects in the oil bulk near high voltage electrodes and impeded plastic insulators affect the voltage oil hold-off. We have constructed an experimental facility where we study the oil and plastic insulator behavior in an actual HVDC System. Experimental results will be presented and compared with the present understanding of the physics governing the oil behavior under very high electrical stresses. Sandia National Laboratories managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. D.O.E., NNSA under contract DE-NA-0003525.

  19. High-field thermal transports properties of REBCO coated conductors

    CERN Document Server

    Bonura, M

    2015-01-01

    The use of REBCO coated conductors is envisaged for many applications, extending from power cables to high-field magnets. Whatever the case, thermal properties of REBCO tapes play a key role for the stability of superconducting devices. In this work, we present the first study on the longitudinal thermal conductivity (k) of REBCO coated conductors in magnetic fields up to 19 T applied both parallelly and perpendicularly to the thermal-current direction. Copper-stabilized tapes from six industrial manufacturers have been investigated. We show that zero-field k of coated conductors can be calculated with an accuracy of ‡ 15% from the residual resistivity ratio of the stabilizer and the Cu/non-Cu ratio. Measurements performed at high fields have allowed us to evaluate the consistency of the procedures generally used for estimating in-field k in the framework of the Wiedemann-Franz law from an electrical characterization of the materials. In-field data are intended to provide primary ingredients for the ...

  20. Widespread inflammation in CLIPPERS syndrome indicated by autopsy and ultra-high-field 7T MRI

    DEFF Research Database (Denmark)

    Blaabjerg, Morten; Ruprecht, Klemens; Sinnecker, Tim

    2016-01-01

    OBJECTIVE: To examine if there is widespread inflammation in the brain of patients with chronic lymphocytic inflammation with pontine perivascular enhancement responsive to steroids (CLIPPERS) syndrome by using histology and ultra-high-field MRI at 7.0T. METHODS: We performed a detailed...... neuropathologic examination in 4 cases, including 1 autopsy case, and studied 2 additional patients by MRI at 7.0T to examine (1) extension of inflammation to areas appearing normal on 3.0T MRI, (2) potential advantages of 7.0T MRI compared to 3.0T MRI in reflecting widespread inflammation, perivascular pathology......, and axonal damage, and (3) the possibility of lymphoma. RESULTS: In the autopsy case, perivascular inflammation dominated by CD4+ T cells was not only detected in the brainstem and cerebellum but also in brain areas with normal appearance on 3.0T MRI, including supratentorial regions and cranial nerve roots...

  1. Low and High Field Magnetic Resonance for in Vivo Analysis of Seeds

    Directory of Open Access Journals (Sweden)

    Thomas Neuberger

    2011-08-01

    Full Text Available Low field NMR has been successfully used for the evaluation of seed composition and quality, but largely only in crop species. We show here that 1.5T NMR provides a reliable means for analysing the seed lipid fraction present in a wide range of species, where both the seed size and lipid concentration differed by >10 fold. Little use of high field NMR has been made in seed research to date, even though it potentially offers many opportunities for studying seed development, metabolism and storage. Here we demonstrate how 17.5T and 20T NMR can be applied to image seed structure, and analyse lipid and metabolite distribution. We suggest that further technical developments in NMR/MRI will facilitate significant advances in our understanding of seed biology.

  2. High field septum magnet using a superconducting shield for the Future Circular Collider

    CERN Document Server

    AUTHOR|(CDS)2069375

    2017-01-01

    A zero-field cooled superconducting shield is proposed to realize a high-field (3–4 T) septum magnet for the Future Circular Collider hadron-hadron (FCC-hh) ring. Three planned prototypes using different materials and technical solutions are presented, which will be used to evaluate the feasibility of this idea as a part of the FCC study. The numerical simulation methods are described to calculate the field patterns around such a shield. A specific excitation current configuration is presented that maintains a fairly homogeneous field outside of a rectangular shield in a wide range of field levels from 0 to 3 Tesla. It is shown that a massless septum configuration (with an opening in the shield) is also possible and gives satisfactory field quality with realistic superconducting material properties.

  3. An intelligent detection method for high-field asymmetric waveform ion mobility spectrometry.

    Science.gov (United States)

    Li, Yue; Yu, Jianwen; Ruan, Zhiming; Chen, Chilai; Chen, Ran; Wang, Han; Liu, Youjiang; Wang, Xiaozhi; Li, Shan

    2017-01-01

    In conventional high-field asymmetric waveform ion mobility spectrometry signal acquisition, multi-cycle detection is time consuming and limits somewhat the technique's scope for rapid field detection. In this study, a novel intelligent detection approach has been developed in which a threshold was set on the relative error of α parameters, which can eliminate unnecessary time spent on detection. In this method, two full-spectrum scans were made in advance to obtain the estimated compensation voltage at different dispersion voltages, resulting in a narrowing down of the whole scan area to just the peak area(s) of interest. This intelligent detection method can reduce the detection time to 5-10% of that of the original full-spectrum scan in a single cycle.

  4. An integrated platform for small-animal hyperthermia investigations under ultra-high-field MRI guidance.

    Science.gov (United States)

    Curto, Sergio; Faridi, Pegah; Shrestha, Tej B; Pyle, Marla; Maurmann, Leila; Troyer, Deryl; Bossmann, Stefan H; Prakash, Punit

    2017-07-21

    Integrating small-animal experimental hyperthermia instrumentation with magnetic resonance imaging (MRI) affords real-time monitoring of spatial temperature profiles. This study reports on the development and preliminary in vivo characterisation of a 2.45 GHz microwave hyperthermia system for pre-clinical small animal investigations, integrated within a 14 T ultra-high-field MRI scanner. The presented system incorporates a 3.5 mm (OD) directional microwave hyperthermia antenna, positioned adjacent to the small-animal target, radiating microwave energy for localised heating of subcutaneous tumours. The applicator is integrated within the 30 mm bore of the MRI system. 3D electromagnetic and biothermal simulations were implemented to characterise hyperthermia profiles from the directional microwave antenna. Experiments in tissue mimicking phantoms were performed to assess hyperthermia profiles and validate MR thermometry against fibre-optic temperature measurements. The feasibility of delivering in vivo hyperthermia exposures to subcutaneous 4T1 tumours in experimental mice under simultaneous MR thermometry guidance was assessed. Simulations and experiments in tissue mimicking phantoms demonstrated the feasibility of heating 21-982 mm3 targets with 8-12 W input power. Minimal susceptibility and electrical artefacts introduced by the hyperthermia applicator were observed on MR imaging. MR thermometry was in excellent agreement with fibre-optic temperatures measurements (max. discrepancy ≤0.6 °C). Heating experiments with the reported system demonstrated the feasibility of heating subcutaneous tumours in vivo with simultaneous MR thermometry. A platform for small-animal hyperthermia investigations under ultra-high-field MR thermometry was developed and applied to heating subcutaneous tumours in vivo.

  5. Emulsion Polymerization of Butyl Acrylate: Spin Trapping and EPR Study

    Science.gov (United States)

    Kim, S.; Westmoreland, D.

    1994-01-01

    The propagating radical in the emulsion polymerization reaction of butyl acrylate was detected by Electron Paramagnetic Resonance spectroscopy using two spin trapping agents, 2-methyl-2nitrosopropane and alpha -N-tert-butylnitrone.

  6. Electrical transport and EPR investigations: A comparative study for ...

    Indian Academy of Sciences (India)

    ) in conjunction with d.c. electri- cal conductivity has been undertaken to know about the charge transport mechanism in polyaniline (PANI) doped with monovalent and multivalent protonic acids. This work is in continuation of our previous work ...

  7. Searching for biosignatures using electron paramagnetic resonance (EPR) analysis of manganese oxides.

    Science.gov (United States)

    Kim, Soon Sam; Bargar, John R; Nealson, Kenneth H; Flood, Beverly E; Kirschvink, Joseph L; Raub, Timothy D; Tebo, Bradley M; Villalobos, Mario

    2011-10-01

    Manganese oxide (Mn oxide) minerals from bacterial sources produce electron paramagnetic resonance (EPR) spectral signatures that are mostly distinct from those of synthetic simulants and abiogenic mineral Mn oxides. Biogenic Mn oxides exhibit only narrow EPR spectral linewidths (∼500 G), whereas abiogenic Mn oxides produce spectral linewidths that are 2-6 times broader and range from 1200 to 3000 G. This distinction is consistent with X-ray structural observations that biogenic Mn oxides have abundant layer site vacancies and edge terminations and are mostly of single ionic species [i.e., Mn(IV)], all of which favor narrow EPR linewidths. In contrast, abiogenic Mn oxides have fewer lattice vacancies, larger particle sizes, and mixed ionic species [Mn(III) and Mn(IV)], which lead to the broader linewidths. These properties could be utilized in the search for extraterrestrial physicochemical biosignatures, for example, on Mars missions that include a miniature version of an EPR spectrometer.

  8. USE OF-EPR-DL FIELD TEST EQUIPMENT FOR DETECTION OF SIGMA PHASE

    Directory of Open Access Journals (Sweden)

    Abraão Danilo Gomes Barreto

    2014-06-01

    Full Text Available This work has objective to correlate the intergranular corrosion susceptibility test named EPR-DL (Electrochemical Potentiokinetic Reactivation of Double Loop with the sigma phase formation and other phases. It has been used samples from a UNS S32760 steel pipe for conducting various aging heat treatments. Held isothermal heat treatment at 850°C for 1 min, 10 min, 30 min, 1 h, 1h30min and 10 h. Each heat treated sample and as received were tested using the electrochemical polarization reactivation of double loop technique (EPR-DL. It was possible the detection of deleterious phases with DL-EPR portable cell. The EPR-DL test of some samples showed a second peak of reactivation in which the results showed that this peak might be associated with ferrite or be related to the presence of chi phase

  9. Wormhole and entanglement (non-)detection in the ER=EPR correspondence

    Energy Technology Data Exchange (ETDEWEB)

    Bao, Ning [Institute for Quantum Information and Matter, California Institute of Technology,Pasadena, CA 91125 (United States); Walter Burke Institute for Theoretical Physics, California Institute of Technology,Pasadena, CA 91125 (United States); Pollack, Jason; Remmen, Grant N. [Walter Burke Institute for Theoretical Physics, California Institute of Technology,Pasadena, CA 91125 (United States)

    2015-11-19

    The recently proposed ER=EPR correspondence postulates the existence of wormholes (Einstein-Rosen bridges) between entangled states (such as EPR pairs). Entanglement is famously known to be unobservable in quantum mechanics, in that there exists no observable (or, equivalently, projector) that can accurately pick out whether a generic state is entangled. Many features of the geometry of spacetime, however, are observables, so one might worry that the presence or absence of a wormhole could identify an entangled state in ER=EPR, violating quantum mechanics, specifically, the property of state-independence of observables. In this note, we establish that this cannot occur: there is no measurement in general relativity that unambiguously detects the presence of a generic wormhole geometry. This statement is the ER=EPR dual of the undetectability of entanglement.

  10. EPR investigations of silicon carbide nanoparticles functionalized by acid doped polyaniline

    Science.gov (United States)

    Karray, Fekri; Kassiba, Abdelhadi

    2012-06-01

    Nanocomposites (SiC-PANI) based on silicon carbide nanoparticles (SiC) encapsulated in conducting polyaniline (PANI) are synthesized by direct polymerization of PANI on the nanoparticle surfaces. The conductivity of PANI and the nanocomposites was modulated by several doping levels of camphor sulfonic acid (CSA). Electron paramagnetic resonance (EPR) investigations were carried out on representative SiC-PANI samples over the temperature range [100-300 K]. The features of the EPR spectra were analyzed taking into account the paramagnetic species such as polarons with spin S=1/2 involved in two main environments realized in the composites as well as their thermal activation. A critical temperature range 200-225 K was revealed through crossover changes in the thermal behavior of the EPR spectral parameters. Insights on the electronic transport properties and their thermal evolutions were inferred from polarons species probed by EPR and the electrical conductivity in doped nanocomposites.

  11. Characterisation of bhringaraj and guduchi herb by ICP-MS analysis, optical absorption, infrared and EPR spectroscopic methods

    Science.gov (United States)

    Reddy, S. Lakshmi; Fayazuddin, Md.; Reddy, N. C. G.; Ahmad, Adeel; Reddy, G. Siva; Rao, P. Sambasiva; Reddy, B. Jagannatha; Frost, R. L.

    2008-11-01

    Leaves of bhringaraj and guduchi herb of Kadapa district of Andhra Pradesh, India, are dried and powdered. ICP-MS analysis of samples indicates that copper is present in both the samples. An EPR study of guduchi sample also confirms the presence of Fe(III) whereas Eclipta alba confirms the presence of Fe(III), Mn(II) and Cu(II). Optical absorption spectrum of guduchi indicates that Cu(II) is present in rhombically distorted octahedral environment. NIR and IR results are due to carbonate fundamentals.

  12. FPGA based digital signal processing for EPR spectroscopy with an application to MRI

    OpenAIRE

    Duraiswamy, Punithavathi

    2011-01-01

    Electron Paramagnetic Resonance (EPR), a magnetic resonance technique similar to nuclear magnetic resonance, detects paramagnetic species such as free radicals. Like Magnetic Resonance Imaging (MRI), EPR can be implemented as an imaging technique for small animals and potentially human applications both in pulsed and continuous wave mode. Typical frequencies used for in vivo applications are about 300 MHz with a corresponding static magnetic field of about 100 G (10mT). As demonstrated with h...

  13. Experimental demonstration of frequency-degenerate bright EPR beams with a self-phase-locked OPO.

    Science.gov (United States)

    Keller, G; D'Auria, V; Treps, N; Coudreau, T; Laurat, J; Fabre, C

    2008-06-23

    We report the first experimental observation of bright EPR beams produced by a type-II optical parametric oscillator operating above threshold at frequency degeneracy. The degenerate operation is obtained by introducing a birefringent plate inside the cavity resulting in phase locking. After filtering the pump noise, which plays a critical role, continuous-variable EPR correlations between the orthogonally polarized signal and idler beams are demonstrated.

  14. Radiation protection on EPR: comparative approach of the French and Finnish regulatory reviewing process and optimization at the design phase; La radioprotection sur EPR: presentation comparee des instructions francaises et finlandaises et des demarches d'optimisation a la conception

    Energy Technology Data Exchange (ETDEWEB)

    Arial, E.; Couasnon, O.; Latil-querrec, N. [IRSN, Unite d' Expertise en radioprotection des travailleurs et de la population, DRPH/SER/UETP, 92 - Fontenay-aux-Roses (France); Evrard, J.M. [IRSN, Direction scientifique, DS, 92 - Fontenay-aux-Roses (France); Herviou, K. [IRSN, Direction de la surete des reacteurs, DSR, 92 - Fontenay-aux-Roses (France); Riihiluoma, V. [Radiation and Nuclear Safety Authority (STUK), Helsinki (Finland); Beneteau, Y.; Foret, J.L. [Electricite de France-CNEN (EDF), 92 - Montrouge (France)

    2010-10-15

    Taking the opportunity to evaluate the preliminary safety report of the French EPR reactor built in Flamanville, the IRSN proposes to assess the history of EPR, from the decision to implement studies in the 90's to the French and German cooperation, and finally to the construction of a unit in Finland and in France, and to make a synthesis of the assessment of radiation protection arrangements. This assessment presents the dose targets (calculated reference doses) planned by the nuclear operators in the design phase as well as the global radiation protection optimization process and a comparison of French and Finnish analyses. In France, for example, EDF performed a detailed optimization analysis of selected tasks known to have a major contribution to the annual average collective dose (thermal insulation, logistics, valve maintenance, opening/closing of the vessel, preparation and checks of steam generators, on-site spent fuel management, and waste management). The optimization process is based (in France) on an iterative method. A comparison between the EPR collective dose target and doses received in other pressurized water reactors that are close to the EPR design (Konvoi of German design, French existing units, etc.) is also presented. This synthesis was carried out by the IRSN, the expert body of the French nuclear safety authority, in association with Electricite de France (EDF), the French operator, and the authority for nuclear safety in Finland (STUK). It summarizes more than 15 years of studies and partnership, focusing on radiation protection, in the design phase of the EPR. (authors)

  15. Transport de paires EPR dans des structures mesoscopiques

    Science.gov (United States)

    Dupont, Emilie

    Dans cette these, nous nous sommes particulierement interesses a la propagation de paires EPR1 delocalisees et localisees, et a l'influence d'un supraconducteur sur le transport de ces paires. Apres une introduction de cette etude, ainsi que du cadre scientifique qu'est l'informatique quantique dans lequel elle s'inscrit, nous allons dans le chapitre 1 faire un rappel sur le systeme constitue de deux points quantiques normaux entoures de deux fils supraconducteurs. Cela nous permettra d'introduire une methode de calcul qui sera reutilisee par la suite, et de trouver egalement le courant Josephson produit par ce systeme transforme en SQUID-dc par l'ajout d'une jonction auxiliaire. Le SQUID permet de mesurer l'etat de spin (singulet ou triplet), et peut etre forme a partir d'autres systemes que nous etudierons ensuite. Dans le chapitre 2, nous rappellerons l'etude detaillee d'un intricateur d'Andreev faite par un groupe de Bale. La matrice T, permettant d'obtenir le courant dans les cas ou les electrons sont separes spatialement ou non, sera etudiee en detail afin d'en faire usage au chapitre suivant. Le chapitre 3 est consacre a l'etude de l'influence du bruit sur le fonctionnement de l'intricateur d'Andreev. Ce bruit modifie la forme du courant jusqu'a aboutir a d'autres conditions de fonctionnement de l'intricateur. En effet, le bruit present sur les points quantiques peut perturber le transport des paires EPR par l'intermediaire des degres de liberte. Nous montrerons que, du fait de l'"intrication" entre la charge de la paire et le bruit, la paire est detruite pour des temps longs. Cependant, le resultat le plus important sera que le bruit perturbe plus le transport des paires delocalisees, qui implique une resonance de Breit-Wigner a deux particules. Le transport parasite n'implique pour sa part qu'une resonance de Breit-Wigner a une particule. Dans le chapitre 4, nous reviendrons au systeme constitue de deux points quantiques entoures de deux fils

  16. Characterization of lithium formate EPR dosimeters for high dose applications – comparison with alanine

    DEFF Research Database (Denmark)

    Waldeland, Einar; Helt-Hansen, Jakob; Malinen, Eirik

    2011-01-01

    Lithium formate and l-α-alanine (alanine) EPR dosimeters were irradiated to doses from 100 Gy to 100 kGy. The irradiations were mainly performed at a Gammacell irradiator with dose rate of approximately 5.5 kGy h−1. Both the peak-to-peak amplitude of the first derivative EPR spectrum and the area...... under the EPR absorption spectrum were extracted, and the resulting dose dependence of these EPR signal intensity parameters were analyzed. The dependence of the peak-to-peak width of the central resonance in the first derivative EPR spectrum on the dose was also elucidated. In addition, the dependence...... on dose rate and irradiation temperature for the two materials was measured. Dosimeters were given doses from 100 Gy to 10 kGy at two different Gammacells with dose rates of 5.5 kGy h−1 and 0.6 kGy h−1, respectively, and the results were compared. Furthermore, the EPR signal intensities for dosimeters...

  17. Using ANN and EPR models to predict carbon monoxide concentrations in urban area of Tabriz

    Directory of Open Access Journals (Sweden)

    Mohammad Shakerkhatibi

    2015-09-01

    Full Text Available Background: Forecasting of air pollutants has become a popular topic of environmental research today. For this purpose, the artificial neural network (AAN technique is widely used as a reliable method for forecasting air pollutants in urban areas. On the other hand, the evolutionary polynomial regression (EPR model has recently been used as a forecasting tool in some environmental issues. In this research, we compared the ability of these models to forecast carbon monoxide (CO concentrations in the urban area of Tabriz city. Methods: The dataset of CO concentrations measured at the fixed stations operated by the East Azerbaijan Environmental Office along with meteorological data obtained from the East Azerbaijan Meteorological Bureau from March 2007 to March 2013, were used as input for the ANN and EPR models. Results: Based on the results, the performance of ANN is more reliable in comparison with EPR. Using the ANN model, the correlation coefficient values at all monitoring stations were calculated above 0.85. Conversely, the R2 values for these stations were obtained <0.41 using the EPR model. Conclusion: The EPR model could not overcome the nonlinearities of input data. However, the ANN model displayed more accurate results compared to the EPR. Hence, the ANN models are robust tools for predicting air pollutant concentrations.

  18. Antibacterial ethylene propylene rubber impregnated with silver nanopowder: AgNP@EPR

    Directory of Open Access Journals (Sweden)

    Marzieh Miranzadeh

    2016-01-01

    Full Text Available Following our interest in reaching for a molded rubber article with possible detergent contact applications, durable silver nanopowder (AgNP is synthesized by arc discharge, then mixed with varying ratios of ethylene propylene rubber (EPR, affording novel AgNP@EPR nanocomposites. X-ray diffraction (XRD patterns of AgNP as well as AgNP@EPR show no trace of impurity, while scanning electron microscopy (SEM indicates an average diameter of 50 nm for the former. Transmission electron microscopy (TEM images while confirm the SEM results, show quite a few 5 nm AgNP particles lying beside some micro crumbs. Our DC arc discharge technique involves explosion of movable silver anode and static cathode by a current pulse between 5 to 10 A cm-2. A solution blending method is employed for preparation of AgNP@EPR nanocomposites. The AgNP is first dispersed in toluene using an ultrasonic homogenizer, and then thoroughly mixed with EPR in the same solvent whose removal gives nanocomposites of 2, 4, 6 and 8 vol% AgNP in EPR,  showing strong antibacterial activity against both Escherichia coli and Staphylococcus aureus.

  19. Thermodynamic basis of electron transfer in dihydroorotate dehydrogenase B from Lactococcus lactis: analysis by potentiometry, EPR spectroscopy, and ENDOR spectroscopy.

    Science.gov (United States)

    Mohsen, Al-Walid A; Rigby, Stephen E J; Jensen, Kaj Frank; Munro, Andrew W; Scrutton, Nigel S

    2004-06-01

    signal is assigned to the formation of a spin interacting state between the FMN semiquinone species and the reduced 2Fe-2S center. Reduction of DHODB using an excess of NADH or dihydroorotate produces EPR spectra that are distinct from those produced by dithionite. From potentiometric studies, the reduction of the 2Fe-2S center and the reduction of the FMN occur concomitantly. The study provides a detailed thermodynamic framework for electron transfer in this complex iron-sulfur flavoprotein.

  20. Does high field MRI allow an earlier diagnosis of multiple sclerosis?

    NARCIS (Netherlands)

    Wattjes, M.P.; Harzheim, M.; Lutterbey, G.G.; Hojati, F.; Simon, B.; Schmidt, S.; Schild, H.H.; Barkhof, F.

    2008-01-01

    Background :High field magnetic resonance imaging (MRI) provides higher lesion load measurements in patients presenting with clinically isolated syndromes (CIS) suggestive of demyelination and has impact upon the classification of these syndromes and potentially, the diagnosis of multiple sclerosis