Paramagnetic NMR investigation of dendrimer-based host-guest interactions.

Directory of Open Access Journals (Sweden)

Fei Wang

Full Text Available In this study, the host-guest behavior of poly(amidoamine (PAMAM dendrimers bearing amine, hydroxyl, or carboxylate surface functionalities were investigated by paramagnetic NMR studies. 2,2,6,6-Tetramethylpiperidinyloxy (TEMPO derivatives were used as paramagnetic guest molecules. The results showed that TEMPO-COOH significantly broaden the ¹H NMR peaks of amine- and hydroxyl-terminated PAMAM dendrimers. In comparison, no paramagnetic relaxation enhancement (PRE was observed between TEMPO-NH₂, TEMPO-OH and the three types of PAMAM dendrimers. The PRE phenomenon observed is correlated with the encapsulation of TEMPO-COOH within dendrimer pockets. Protonation of the tertiary amine groups within PAMAM dendrimers plays an important role during this process. Interestingly, the absence of TEMPO-COOH encapsulation within carboxylate-terminated PAMAM dendrimer is observed due to the repulsion of TEMPO-COO- anion and anionic dendrimer surface. The combination of paramagnetic probes and ¹H NMR linewidth analysis can be used as a powerful tool in the analysis of dendrimer-based host-guest systems.

Dosimetry of ionizing radiations by Electron paramagnetic resonance

International Nuclear Information System (INIS)

Azorin N, J.

2005-01-01

In this work, some historical and theoretical aspects about the Electron Paramagnetic Resonance (EPR), its characteristics, the resonance detection, the paramagnetic species, the radiation effects on inorganic and organic materials, the diagrams of the instrumentation for the EPR detection, the performance of an EPR spectrometer, the coherence among EPR and dosimetry and, practical applications as well as in the food science there are presented. (Author)

Size-dependent concentration of N0 paramagnetic centres in HPHT nanodiamonds

OpenAIRE

Yavkin, Boris V; Mamin, Georgy V; Gafurov, Marat R.; Orlinskii, Sergei B.

2015-01-01

Size-calibrated commercial nanodiamonds synthesized by high-pressure high-temperature (HPHT) technique were studied by high-frequency W and conventional X band electron paramagnetic resonance (EPR) spectroscopy. The numbers of spins in the studied samples were estimated. The core-shell model of the HPHT nanodiamonds was proposed to explain the observed dependence of the concentration of the N0 paramagnetic centers. Two other observed paramagnetic centers are attributed to the two types of str...

Model for paramagnetic Fermi systems

International Nuclear Information System (INIS)

Ainsworth, T.L.; Bedell, K.S.; Brown, G.E.; Quader, K.F.

1983-01-01

We develop a mode for paramagnetic Fermi liquids. This model has both direct and induced interactions, the latter including both density-density and current-current response. The direct interactions are chosen to reproduce the Fermi liquid parameters F/sup s/ 0 , F/sup a/ 0 , F/sup s/ 1 and to satify the forward scattering sum rule. The F/sup a/ 1 and F/sup s/,a/sub l/ for l>1 are determined self-consistently by the induced interactions; they are checked aginst experimental determinations. The model is applied in detail to liquid 3 He, using data from spin-echo experiments, sound attenuation, and the velocities of first and zero sound. Consistency with experiments gives definite preferences for values of m. The model is also applied to paramagnetic metals. Arguments are given that this model should provide a basis for calculating effects of magnetic fields

Size-dependent concentration of N0 paramagnetic centres in HPHT nanodiamonds

Directory of Open Access Journals (Sweden)

B.V. Yavkin, G.V. Mamin, M.R. Gafurov, S.B. Orlinskii

2015-12-01

Full Text Available Size-calibrated commercial nanodiamonds synthesized by high-pressure high-temperature (HPHT technique were studied by high-frequency W- and conventional X-band electron paramagnetic resonance (EPR spectroscopy. The numbers of spins in the studied samples were estimated. The core-shell model of the HPHT nanodiamonds was proposed to explain the observed dependence of the concentration of the N0 paramagnetic centers. Two other observed paramagnetic centers are attributed to the two types of structures in the nanodiamond shell.

Ferro-paramagnetic coupled resonant modes in GdEuCuO4

International Nuclear Information System (INIS)

Fainstein, A.; Tovar, M.

1990-01-01

Two paramagnetic resonances were observed in compound GdEuCuO 4 : one was originated in trivalent gadolinium paramagnetism, while the other is associated to a weak ferromagnetic mode in Cu-O planes. In this work, experimental results are presented that show an anisotropy and a strongly anomalous temperature dependence of Gd 3+ . A theoretical model was introduced which explains the data in terms of coupled ferro-paramagnetic resonant modes originated in spin exchange coupling of Cu and Gd. (Author). 9 refs., 4 figs

Paramagnetic defects in hydrogenated amorphous carbon powders

International Nuclear Information System (INIS)

Keeble, D J; Robb, K M; Smith, G M; Mkami, H El; Rodil, S E; Robertson, J

2003-01-01

Hydrogenated amorphous carbon materials typically contain high concentrations of paramagnetic defects, the density of which can be quantified by electron paramagnetic resonance (EPR). In this work EPR measurements near 9.5, 94, and 189 GHz have been performed on polymeric and diamond-like hydrogenated amorphous carbon (a-C:H) powder samples. A similar single resonance line was observed at all frequencies for the two forms of a-C:H studied. No contributions to the spectrum from centres with resolved anisotropic g-values as reported earlier were detected. An increase in linewidth with microwave frequency was observed. Possible contributions to this frequency dependence are discussed

Modified Sucksmith balances for ferromagnetic and paramagnetic measurements

Energy Technology Data Exchange (ETDEWEB)

Lundquist, N; Myers, H P

1962-02-15

Two balances, one for measurement of ferromagnetic magnetisation, the other for paramagnetic susceptibility measurements, are described. Designs are based on Sucksmith's ring balance but the ring and optical lever system of the latter has been replaced by a strain gauge bridge, which allows the force on the magnetic specimens to be determined via potentiometer readings. The modified balances are very robust, insensitive to vibration and, if desired, suitable for direct recording. Relative accuracies of 0.3 % and 0.5 % are obtained respectively for the ferromagnetic and paramagnetic systems.

Magnetic resonance studies of isotopically labeled paramagnetic proteins: (2FE-2S) ferredoxins

Energy Technology Data Exchange (ETDEWEB)

Cheng, H.; Xia, B.; Chae, Y.K.; Westler, W.M.; Markley, J.L. [Univ. of Wisconsin, Madison, WI (United States)

1994-12-01

Recent developments in NMR spectroscopy, especially multidimensional, multinuclear NMR techniques, have made NMR the most versatile tool available for studying protein structure and function in solution. Unlike diamagnetic proteins, paramagnetic proteins contain centers with unpaired electrons. These unpaired electrons interact with magnetic nuclei either through chemical bonds by a contact mechanism or through space by a pseudocontact mechanism. Such interactions make the acquisition and analysis of NMR spectra of paramagnetic proteins more challenging than those of diamagnetic proteins. Some NMR signals from paramagnetic proteins are shifted outside the chemical shift region characteristic of diamagnetic proteins; these {open_quotes}hyperfine-shifted{close_quotes} resonances originate from nuclei that interact with unpaired electrons from the paramagnetic center. The large chemical shift dispersion in spectra of paramagnetic proteins makes it difficult to excite the entire spectral window and leads to distortions in the baseline. Interactions with paramagnetic centers shorten T{sub 1} and T{sub 2} relaxation times of nuclei; the consequences are line broadening and lower spectral sensitivity. Scalar (through bond) and dipolar (through space) interactions between pairs of nuclei are what give rise to crosspeak signals in multi-dimensional NMR spectra of small diamagnetic proteins. When such interactions involve a nucleus that is strongly relaxed by interaction with a paramagnetic center, specialized methods may be needed for its detection or it may be completely undetectable by present nD NMR methods.

Paramagnetic moments in YBa2Cu3O7−δ nanocomposite films

International Nuclear Information System (INIS)

Dias, F.T.; Vieira, V.N.; Silva, D.L.; Albino Aguiar, J.; Valadão, D.R.B.; Obradors, X.; Puig, T.; Wolff-Fabris, F.; Kampert, E.

2014-01-01

Highlights: • The paramagnetic Meissner effect was observed in a nanocomposite YBaCuO thin film. • The paramagnetic moments in FC experiments were observed up to 10 T. • The paramagnetic Meissner effect increases when the magnetic field is increased. • Results may be explained based on the flux compression scenario and vortex pinning. • An apparent saturation tendency of the paramagnetic moments could be observed. - Abstract: We report on magnetization studies in YBa 2 Cu 3 O 7−δ thin films with dispersed Ba 2 YTaO 6 nanoparticles. The magnetization measurements were made using a superconducting quantum interference device (SQUID) and a vibrating sample magnetometer (VSM). Magnetic moments were measured as functions temperature using zero-field cooling (ZFC) and field-cooled (FC) prescriptions for magnetic fields up to 10 T applied parallel and perpendicular to the ab planes. A paramagnetic response related to the superconducting state was observed during the FC experiments. This effect, known as paramagnetic Meissner effect (PME), apparently increases when the magnetic field is increased. We discuss our PME results in terms of the strong pinning scenario modulated by Ba 2 YTaO 6 nanoparticles dispersed into the superconducting matrix

Decay of paramagnetic centers in polyacetylene

International Nuclear Information System (INIS)

Hola, O.

1994-01-01

The time dependences of the relative concentration of spins in irradiated and unirradiated samples of polyacetylene have been studied. Similar courses of the decay of paramagnetic centers were observed in both types of samples. (author) 6 refs.; 1 fig

Improved paramagnetic chelate for molecular imaging with MRI

International Nuclear Information System (INIS)

Winter, Patrick; Athey, Phillip; Kiefer, Garry; Gulyas, Gyongyi; Frank, Keith; Fuhrhop, Ralph; Robertson, David; Wickline, Samuel; Lanza, Gregory

2005-01-01

The relaxivity and transmetallation of two lipophilic paramagnetic chelates incorporated onto perfluorocarbon nanoparticles, i.e., gadolinium-methoxy-tetraazacyclododecane-tetraacetic acid phosphatidylethanolamine (Gd-MeO-DOTA-PE) and gadolinium-methoxy-tetraazacyclododecane-tetraacetic acid triglycine phosphatidylethanolamine (Gd-MeO-DOTA-triglycine-PE (Gd-MeO-DOTA-triglycine-PE)), were compared to a prototypic gadolinium-diethylene-triamine-pentaacetic acid bis-oleate (Gd-DTPA-BOA) paramagnetic formulation. Nanoparticles with MeO-DOTA-based chelates demonstrated higher relaxivity (40% higher for Gd-MeO-DOTA-PE and 55% higher for Gd-MeO-DOTA-triglycine-PE) and less transmetallation than the original Gd-DTPA-BOA-based agent

Improved paramagnetic chelate for molecular imaging with MRI

Science.gov (United States)

Winter, Patrick; Athey, Phillip; Kiefer, Garry; Gulyas, Gyongyi; Frank, Keith; Fuhrhop, Ralph; Robertson, David; Wickline, Samuel; Lanza, Gregory

2005-05-01

The relaxivity and transmetallation of two lipophilic paramagnetic chelates incorporated onto perfluorocarbon nanoparticles, i.e., gadolinium-methoxy-tetraazacyclododecane-tetraacetic acid phosphatidylethanolamine (Gd-MeO-DOTA-PE) and gadolinium-methoxy-tetraazacyclododecane-tetraacetic acid triglycine phosphatidylethanolamine (Gd-MeO-DOTA-triglycine-PE (Gd-MeO-DOTA-triglycine-PE)), were compared to a prototypic gadolinium-diethylene-triamine-pentaacetic acid bis-oleate (Gd-DTPA-BOA) paramagnetic formulation. Nanoparticles with MeO-DOTA-based chelates demonstrated higher relaxivity (40% higher for Gd-MeO-DOTA-PE and 55% higher for Gd-MeO-DOTA-triglycine-PE) and less transmetallation than the original Gd-DTPA-BOA-based agent.

An NMR strategy for fragment-based ligand screening utilizing a paramagnetic lanthanide probe

International Nuclear Information System (INIS)

Saio, Tomohide; Ogura, Kenji; Shimizu, Kazumi; Yokochi, Masashi; Burke, Terrence R.; Inagaki, Fuyuhiko

2011-01-01

A nuclear magnetic resonance-based ligand screening strategy utilizing a paramagnetic lanthanide probe is presented. By fixing a paramagnetic lanthanide ion to a target protein, a pseudo-contact shift (PCS) and a paramagnetic relaxation enhancement (PRE) can be observed for both the target protein and its bound ligand. Based on PRE and PCS information, the bound ligand is then screened from the compound library and the structure of the ligand–protein complex is determined. PRE is an isotropic paramagnetic effect observed within 30 Å from the lanthanide ion, and is utilized for the ligand screening in the present study. PCS is an anisotropic paramagnetic effect providing long-range (∼40 Å) distance and angular information on the observed nuclei relative to the paramagnetic lanthanide ion, and utilized for the structure determination of the ligand–protein complex. Since a two-point anchored lanthanide-binding peptide tag is utilized for fixing the lanthanide ion to the target protein, this screening method can be generally applied to non-metal-binding proteins. The usefulness of this strategy was demonstrated in the case of the growth factor receptor-bound protein 2 (Grb2) Src homology 2 (SH2) domain and its low- and high-affinity ligands.

Paramagnetism and plasma beta in a screw-pinch

International Nuclear Information System (INIS)

Lehnert, B.; Scheffel, J.

1991-02-01

Anisotropic resistivity causes paramagnetic effects (B z ' (r) less then 0) in a screw pinch, being basically different to the self-relaxation described by Taylor. We compute, analytically and numerically, the resulting effect on equilibrium in a 1-D straight cylindrical plasma. In particular we compute paramagnetic effects on the plasma radius and on plasma beta. Ohm's law also contains diamagnetic terms; in this paper we consider radial particle diffusion and the Nernst effect. In a Tokamak or rector plasma these effects are shown to be negligible, whereas they may contribute in present ULQ, Extrap and RFP experiments. A basic result is an expression for the coupling between the poloidal and axial magnetic field components with the above effects included. A result of specific importance to the Extrap programme is that plasma current limitation can arise from lack of equilibrium when the plasma radius tends to exceed its upper limit, being defined by a magnetic or material limiter. The paramagnetic effect described in this work lowers the plasma beta further, making D-D reactor depending on safety factors q(a) bigger than 1 seems less attainable. (au)

A paramagnetic nearly isodynamic compact magnetic confinement system

International Nuclear Information System (INIS)

Cooper, W.A.; Antonietti, J.M.; Todd, T.N.

2001-01-01

A coreless compact magnetic confinement system that consists of sets of helical windings and vertical magnetic field coils is investigated. The helical coils produce a small toroidal translation of the magnetic field lines and seed paramagnetism. The force-free component of the toroidal current strongly enhances the paramagnetism such that isodynamic conditions near the plasma centre can be approached. At β 5%, the configuration is stable to local MHD modes. Global MHD modes limit the toroidal current 2πJ to about 60kA for peaked J. Bootstrap-like hollow current profiles generate quasiaxisymmetric systems that require a close fitting conducting shell to satisfy external kink stability. (author)

Radiation-induced electron paramagnetic resonance signal and soybean isoflavones content

International Nuclear Information System (INIS)

Oliveira, Marcos R.R. de; Mandarino, José M.G.; Mastro, Nelida L. del

2012-01-01

Electron Paramagnetic Resonance (EPR) is a well-known spectroscopic technique that detects paramagnetic centers and can detect free radicals with high sensitivity. In food, free radicals can be generated by several commonly used industrial processes, such as radiosterilization or heat treatment. EPR spectroscopy is used to detect radioinduced free radicals in food. In this work the relation between EPR signal induced by gamma irradiation treatment and soybean isoflavones content was investigated. Present results did not show correlation between total isoflavones content and the EPR signal. Nevertheless, some isoflavone contents had a negative correlation with the radiation-induced EPR signal. - Highlights: ► Electron Paramagnetic Resonance (EPR) detects free radicals. ► Ionizing radiation as free radicals inducer. ► Total soybean isoflvones do not correlate with radiation-induced EPR intensity but a soybean glucosyl glucoside isoflavone does.

EPR in characterization of seeds paramagnetic species

International Nuclear Information System (INIS)

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.

2011-01-01

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 2 O 3 ), magnetite (Fe 3 O 4 ), and ferrihydrite (Fe 5 HO 8 · 4H 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 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 (∼ 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 3+ present in the goethite at g ∼ 2, and in the seeds exist free radicals at g = 2:004, at room temperature

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

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

Two-frequency radiospectrometer for studying paramagnetics under a strong magnetic field

International Nuclear Information System (INIS)

Vertii, A.A.; Gudym, I.Y.; Ivanchenko, I.V.

1994-01-01

A two-frequency radiospectrometer for studying electron paramagnetic resonance in the 120-150-GHz band and nuclear magnetic resonance in the 180-200-MHz band is described. The spectrometer is used to measure the properties of paramagnetics by a double-resonance technique in a magnetic field of up to 5 T at a temperature ranging from 1.7 to 20 degrees K

Dating by electron paramagnetic resonance

International Nuclear Information System (INIS)

Poupeau, G.; Rossi, A.M.

1984-01-01

Some natural materials behave like dosimeters in front of the ionizing particle flux coming from environmental radioactivity and the cosmic radiation. This property is used for the dating by Electron Paramagnetic Resonance (EPR). Before presenting the basic principles of the EPR analysis and the dating method which uses such a phenomenous, it is reviewed several types of application currently in course of development. (L.C.) [pt

Electron paramagnetic resonance study of Ce doped partially stabilized ZrO2 crystals

Directory of Open Access Journals (Sweden)

Mikhail А. Borik

2017-09-01

Full Text Available ZrO2 (PSZ solid solutions crystals stabilized with yttrium and cerium oxides have been studied using electron paramagnetic resonance (EPR in the X and Q ranges. Zr3+ have been observed centers in the as-annealed ZrO2 crystals stabilized only by yttrium oxide (2.8 mol% Y2O3. Another type of paramagnetic-O-centers appear as a result of CeO2 addition to ZrO2 crystals along with yttrium oxide. To estimate the concentration of Ce3+ ions in PZS crystals, we recorded the EPR spectra in the presence of a reference at 7 K. Paramagnetic Ce3+ ions have been identified and their relative amount in the PSZ crystals before and after high-temperature heat treatment has been assessed. Annealing in air leads decreases the concentration of Ce3+ ions for all the test compositions and changes the color of the crystals from red to white. After annealing of the sample 2.0Y0.8Ce3Zr, the amount of paramagnetic Ce3+ ions decreased approximately twofold. Paramagnetic centers from Ce3+ have not been detected in the specimen with a low cerium content of 0.1 mol% after annealing which indicates the complete transition of Ce3+ to the Ce4+ state. We show that the forming cerium paramagnetic centers are bound by strong exchange interactions. No angular dependence of the EPR lines of the paramagnetic Ce3+ cations on the applied external magnetic field has been observed. Probable origin of the absence of angular dependence is that the impurity rare-earth ions are located close to one another, forming impurity clusters with an effective spin of Seff=1/2.

PARAssign-paramagnetic NMR assignments of protein nuclei on the basis of pseudocontact shifts

Energy Technology Data Exchange (ETDEWEB)

Skinner, Simon P., E-mail: skinnersp@chem.leidenuniv.nl [Leiden University, Gorlaeus Laboratories, Leiden Institute of Chemistry (Netherlands); Moshev, Mois, E-mail: mois@monomon.me [Leiden University, Leiden Institute of Advanced Computer Science (Netherlands); Hass, Mathias A. S., E-mail: hassmas@chem.leidenuniv.nl; Ubbink, Marcellus, E-mail: m.ubbink@chem.leidenuniv.nl [Leiden University, Gorlaeus Laboratories, Leiden Institute of Chemistry (Netherlands)

2013-04-15

The use of paramagnetic NMR data for the refinement of structures of proteins and protein complexes is widespread. However, the power of paramagnetism for protein assignment has not yet been fully exploited. PARAssign is software that uses pseudocontact shift data derived from several paramagnetic centers attached to the protein to obtain amide and methyl assignments. The ability of PARAssign to perform assignment when the positions of the paramagnetic centers are known and unknown is demonstrated. PARAssign has been tested using synthetic data for methyl assignment of a 47 kDa protein, and using both synthetic and experimental data for amide assignment of a 14 kDa protein. The complex fitting space involved in such an assignment procedure necessitates that good starting conditions are found, both regarding placement and strength of paramagnetic centers. These starting conditions are obtained through automated tensor placement and user-defined tensor parameters. The results presented herein demonstrate that PARAssign is able to successfully perform resonance assignment in large systems with a high degree of reliability. This software provides a method for obtaining the assignments of large systems, which may previously have been unassignable, by using 2D NMR spectral data and a known protein structure.

Intrinsic Electric Dipole Moments of Paramagnetic Atoms: Rubidium and Cesium

OpenAIRE

Nataraj, H. S.; Sahoo, B. K.; Das, B. P.; Mukherjee, D.

2008-01-01

The electric dipole moment (EDM) of paramagnetic atoms is sensitive to the intrinsic EDM contribution from that of its constituent electrons and a scalar--pseudo-scalar (S-PS) electron-nucleus interactions. The electron EDM and the S-PS EDM contribution to atomic EDM scales as Z^3. Thus, the heavy paramagnetic atomic systems will exhibit large enhancement factors. However, the nature of the coupling is so small that it becomes an interest of high precision atomic experiments. In this work, we...

Investigation of lanthanide ions and other paramagnetic impurities in natural fluorite by electron paramagnetic resonance: examples of application to mining exploration and geochemistry

International Nuclear Information System (INIS)

Chatagnon, B.

1981-01-01

This research thesis reports the application to geology, and more particularly to geochemistry and mining exploration, of a physical method: the electron paramagnetic resonance (EPR). After a report of a bibliographical investigation on mineralogy and geochemistry of fluorite and lanthanides, as well as on paramagnetic centres observed by physicists in synthetic fluorite, the author reports an experimental work, and describes two examples of application of EPR: firstly, the exploration of radioactive ores, and secondly, with the joint use of neutron activation analysis, the characterization of the redox status of the hydrothermal solution which is at the origin of fluorinated mineralisation

Adsorption and collective paramagnetism

CERN Document Server

Selwood, Pierce W

1962-01-01

Adsorption and Collective Paramagnetism describes a novel method for studying chemisorption. The method is based on the change in the number of unpaired electrons in the adsorbent as chemisorption occurs. The method is applicable to almost all adsorbates, but it is restricted to ferromagnetic adsorbents such as nickel, which may be obtained in the form of very small particles, that is to say, to ferromagnetic adsorbents with a high specific surface. While almost all the data used illustratively have been published elsewhere this is the first complete review of the subject. The book is addresse

Point defects in crystalline zircon (zirconium silicate), ZrSiO4: electron paramagnetic resonance studies

Science.gov (United States)

Tennant, W. C.; Claridge, R. F. C.; Walsby, C. J.; Lees, N. S.

This article outlines the present state of knowledge of paramagnetic defects in crystalline zircon as obtained mainly, but not exclusively, from electron paramagnetic resonance (EPR) studies in crystalline zircon (zirconium silicate, ZrSiO4). The emphasis is on single-crystal studies where, in principle, unambiguous analysis is possible. Firstly, the crystallography of zircon is presented. Secondly, the relationships between available crystal-site symmetries and the symmetries of observed paramagnetic species in zircon, and how these observations lead to unambiguous assignments of point-group symmetries for particular paramagnetic species are detailed. Next, spin-Hamiltonian (SH) analysis is discussed with emphasis on the symmetry relationships that necessarily exist amongst the Laue classes of the crystal sites in zircon, the paramagnetic species occupying those sites and the SH itself. The final sections of the article then survey the results of EPR studies on zircon over the period 1960-2002.

Measurement of electron paramagnetic resonance using terahertz time-domain spectroscopy.

Science.gov (United States)

Kozuki, Kohei; Nagashima, Takeshi; Hangyo, Masanori

2011-12-05

We present a frequency-domain electron spin resonance (ESR) measurement system using terahertz time-domain spectroscopy. A crossed polarizer technique is utilized to increase the sensitivity in detecting weak ESR signals of paramagnets caused by magnetic dipole transitions between magnetic sublevels. We demonstrate the measurements of ESR signal of paramagnetic copper(II) sulfate pentahydrate with uniaxial anisotropy of the g-factor under magnetic fields up to 10 T. The lineshape of the obtained ESR signals agrees well with the theoretical predictions for a powder sample with the uniaxial anisotropy.

Microassembly using a Cluster of Paramagnetic Microparticles

NARCIS (Netherlands)

Khalil, I.S.M.; Brink, F.V; Sardan Sukas, Ö.; Misra, Sarthak

2013-01-01

We use a cluster of paramagnetic microparticles to carry out a wireless two-dimensional microassembly operation. A magnetic-based manipulation system is used to control the motion of the cluster under the influence of the applied magnetic fields. Wireless motion control of the cluster is implemented

Nature of the magnetic susceptibility of dysprosium. Paramagnetic susceptibility of dysprosium - yttrium alloys

International Nuclear Information System (INIS)

Demidov, V.G.; Levitin, R.Z.; Chistyakov, O.D.

1976-01-01

The paramagnetic susceptibility of single crystals of dysprosium-yttirum alloys is measured in the basal plane and along the hexagonal axis. It is shown that the susceptibility of the alloys obeys the Curie-Weiss law, the effective magnetic moments allong the different directions being the same and the paramagnetic Curie temperatures being different. The difference between the paramagnetic Curie temperatures in the basal plane and along the hexagonal axis is independent of the dysprosium concentration in the alloy. As a comparison with the theoretical models of magnetic anisotropy shows, this is an indication that the magnetic anisotropy of dysprosium - yttrium alloys is of a single-ion nature

Paramagnetic probes to study PrNi5?

International Nuclear Information System (INIS)

Hutchinson, W.D.; Harker, S.J.; Stewart, G.A.; Chaplin, D.H.; Kaplan, N.

1996-01-01

The Van-Vleck paramagnet PrNi 5 has been the focus of many studies in the past as a result of its usefulness as a nuclear cooling agent. Extensive continuous wave praseodymium NMR measurements have been carried out on this compound. However pulsed NMR and therefore precise relaxation measurements particularly at mK temperatures have proved elusive. In this work we have proposed to use radiative gamma-ray detection to indirectly measure Pr NMR in PrNi 5 via cross relaxation to suitable paramagnetic impurity probes placed at Ni lattice sites. 57 Co was chosen as the most compatible nuclear orientation isotope with an appropriate nuclear g-factor. The choice of 57 Co also allows the use of Moessbauer spectroscopy to check the site occupancy. This poster details the production of a 57 Co doped PrNi 5 single crystal specimen including the specimen preparation problems encountered, 57 Fe Moessbauer and preliminary nuclear orientation measurements

Paramagnetic form factors from itinerant electron theory

International Nuclear Information System (INIS)

Cooke, J.F.; Liu, S.H.; Liu, A.J.

1985-01-01

Elastic neutron scattering experiments performed over the past two decades have provided accurate information about the magnetic form factors of paramagnetic transition metals. These measurements have traditionally been analyzed in terms of an atomic-like theory. There are, however, some cases where this procedure does not work, and there remains the overall conceptual problem of using an atomistic theory for systems where the unpaired-spin electrons are itinerant. We have recently developed computer codes for efficiently evaluating the induced magnetic form factors of fcc and bcc itinerant electron paramagnets. Results for the orbital and spin contributions have been obtained for Cr, Nb, V, Mo, Pd, and Rh based on local density bands. By using calculated spin enhancement parameters, we find reasonable agreement between theory and neutron form factor data. In addition, these zero parameter calculations yield predictions for the bulk susceptibility on an absolute scale which are in reasonable agreement with experiment in all treated cases except palladium

Paramagnetic resonance and susceptibility of ilmenite, FeTiO3 crystal

Science.gov (United States)

Mcdonald, P. F.; Parasiris, A.; Pandey, R. K.; Gries, B. L.; Kirk, W. P.

1991-01-01

Large high-purity single crystals of FeTiO3 with ilmenite structure have been grown from a stoichiometric melt of Fe2O3 and TiO2 under an inert atmosphere using the modified Czochralski technique. Susceptibility and X-band paramagnetic resonance studies have been performed. Susceptibility measurements indicate a Neel temperature of about 59 K. The paramagnetic resonance spectrum for magnetic field perpendicular to the crystal c axis consists of a portion of a single, very intense approximately Lorentzian absorption line with its peak at about 600 G and half width at half maximum almost 1200 G. The absorption extends to zero magnetic field. For magnetic field approximately parallel to the c axis, the paramagnetic absorption is much smaller and may be considered a superposition of two approximately Lorentzian line shapes. The magnetic resonance measurements indicate a weak temperature dependence and large angular anisotropy.

Theoretical study of the electron paramagnetic resonance ...

Indian Academy of Sciences (India)

conveniently investigated by means of electron paramagnetic resonance (EPR). In ... ion Ir2+ can experience the Jahn–Teller effect by means of vibration interaction, ... Similarly, k. (and k ) are the orbital reduction factors arising from the anisotropic interactions of the orbital angular momentum operator. From the cluster ...

Nonequilibrium ensembles. 3. Spin 1/2 paramagnets

International Nuclear Information System (INIS)

Sobouti, Y.; Khajeh-Pour, M.R.H.

1990-07-01

The thermodynamic state of a paramagnetic substance in which the spin vectors precess coherently is investigated. The state is a time dependent one. The corresponding density matrix and the thermodynamics emerging from it is worked out. A laboratory preparation of such a system is discussed. (author). 3 refs

Faraday effect in γ-Dy2S3 and c-Dy2O3 paramagnetic crystals

International Nuclear Information System (INIS)

Shelykh, A.I.

1987-01-01

Studies of spectral and temperature dependences of Faraday effect in γ-Dy 2 S 3 and C-Dy 2 O 3 paramagnetic crystals are conducted. Paramagnetism of these crystals is brought about by Dy 3+ ions. Estimation of the effect of such factors as the value of paramagnetic ion concentration, width of the forbidden band, crystallochemical composition on magnetooptical effect in the considered compounds of dysprosium is carried out on the basis of the obtained experimental data and theoretical analysis. It is shown, that the Faraday effect in the considered compounds of dysprosium as well as the value of paramagnetic moment may be regarded rather accurately in free ion approximation

Probing Spin Crossover in a Solution by Paramagnetic NMR Spectroscopy.

Science.gov (United States)

Pavlov, Alexander A; Denisov, Gleb L; Kiskin, Mikhail A; Nelyubina, Yulia V; Novikov, Valentin V

2017-12-18

Spin transitions in spin-crossover compounds are now routinely studied in the solid state by magnetometry; however, only a few methods exist for studies in solution. The currently used Evans method, which relies on NMR spectroscopy to measure the magnetic susceptibility, requires the availability of a very pure sample of the paramagnetic compound and its exact concentration. To overcome these limitations, we propose an alternative NMR-based technique for evaluating spin-state populations by only using the chemical shifts of a spin-crossover compound; those can be routinely obtained for a solution that contains unknown impurities and paramagnetic admixtures or is contaminated otherwise.

Electromagnetic activity of a pulsating paramagnetic neutron star

International Nuclear Information System (INIS)

Bastrukov, S.I.; Podgainy, D.V.; Yang, J.; Weber, F.

2002-01-01

The fact that neutron star matter possesses the capability of maintaining a highly intense magnetic field has been and still is among the most debatable issues in pulsar astrophysics. Over the years, there were several independent suggestions that the dominant source of pulsar magnetism is either the field-induced or the spontaneous magnetic polarization of the baryon material. The Pauli paramagnetism of degenerate neutron matter is one of the plausible and comprehensive mechanisms of the magnetic ordering of neutron magnetic moments, promoted by a seed magnetic field inherited by the neutron star from a massive progenitor and amplified by its implosive contraction due to the magnetic flux conservation. Adhering to this attitude and based on the equations of magnetoelastic dynamics underlying continuum mechanics of single-axis magnetic insulators, we investigate electrodynamics of a paramagnetic neutron star undergoing nonradial pulsations. We show that the suggested approach regains a recent finding of Akhiezer et al. that the spin-polarized neutron matter can transmit perturbations by low-frequency transverse magnetoelastic waves. We found that nonradial torsional magnetoelastic pulsations of a paramagnetic neutron star can serve as a powerful generator of a highly intense electric field producing the magnetospheric polarization charge whose acceleration along the open magnetic field lines leads to the synchrotron and curvature radiation. Analytic and numerical estimates for periods of nonradial torsional magnetoelastic modes are presented and are followed by a discussion of their possible manifestation in currently monitored activity of pulsars and magnetars

Recent results on some columnar paramagnetic metallomesogens

Indian Academy of Sciences (India)

A broader view on some physical properties of columnar paramagnetic ... was evident by X-ray crystal structure determination in the solid state on a homologous ... leading to interfacial polarization as described for other LC materials before [9]. ... dodecyloxy tail on the phenyl rings) was described to exhibit a Colho phase ...

Correlation induced paramagnetic ground state in FeAl

Czech Academy of Sciences Publication Activity Database

Mohn, P.; Persson, C.; Blaha, P.; Schwarz, K.; Novák, Pavel; Eschrig, H.

2001-01-01

Roč. 87, č. 19 (2001), s. 196401-1-196401-4 ISSN 0031-9007 Institutional research plan: CEZ:AV0Z1010914 Keywords : FeAl * paramagnetic ground state Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 6.668, year: 2001

Paramagnetic moments in YBa{sub 2}Cu{sub 3}O{sub 7−δ} nanocomposite films

Energy Technology Data Exchange (ETDEWEB)

Dias, F.T.; Vieira, V.N.; Silva, D.L. [Instituto de Física e Matemática, Universidade Federal de Pelotas, C.P. 354, 96010-900 Pelotas, RS (Brazil); Albino Aguiar, J. [Departamento de Física, Universidade Federal de Pernambuco, 50670-901 Recife, PE (Brazil); Programa de Pós-Graduação em Ciência de Materiais, Universidade Federal de Pernambuco, 50670-901 Recife, PE (Brazil); Valadão, D.R.B., E-mail: danielavaladao.ufpe@gmail.com [Programa de Pós-Graduação em Ciência de Materiais, Universidade Federal de Pernambuco, 50670-901 Recife, PE (Brazil); Obradors, X.; Puig, T. [Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus U.A. Barcelona, 08193 Bellaterra (Spain); Wolff-Fabris, F.; Kampert, E. [Dresden High Magnetic Field Laboratory, HZ Dresden-Rossendorf , 01314 Dresden (Germany)

2014-08-15

Highlights: • The paramagnetic Meissner effect was observed in a nanocomposite YBaCuO thin film. • The paramagnetic moments in FC experiments were observed up to 10 T. • The paramagnetic Meissner effect increases when the magnetic field is increased. • Results may be explained based on the flux compression scenario and vortex pinning. • An apparent saturation tendency of the paramagnetic moments could be observed. - Abstract: We report on magnetization studies in YBa{sub 2}Cu{sub 3}O{sub 7−δ} thin films with dispersed Ba{sub 2}YTaO{sub 6} nanoparticles. The magnetization measurements were made using a superconducting quantum interference device (SQUID) and a vibrating sample magnetometer (VSM). Magnetic moments were measured as functions temperature using zero-field cooling (ZFC) and field-cooled (FC) prescriptions for magnetic fields up to 10 T applied parallel and perpendicular to the ab planes. A paramagnetic response related to the superconducting state was observed during the FC experiments. This effect, known as paramagnetic Meissner effect (PME), apparently increases when the magnetic field is increased. We discuss our PME results in terms of the strong pinning scenario modulated by Ba{sub 2}YTaO{sub 6} nanoparticles dispersed into the superconducting matrix.

Stable and rigid DTPA-like paramagnetic tags suitable for in vitro and in situ protein NMR analysis.

Science.gov (United States)

Chen, Jia-Liang; Zhao, Yu; Gong, Yan-Jun; Pan, Bin-Bin; Wang, Xiao; Su, Xun-Cheng

2018-02-01

Organic synthesis of a ligand with high binding affinities for paramagnetic lanthanide ions is an effective way of generating paramagnetic effects on proteins. These paramagnetic effects manifested in high-resolution NMR spectroscopy are valuable dynamic and structural restraints of proteins and protein-ligand complexes. A paramagnetic tag generally contains a metal chelating moiety and a reactive group for protein modification. Herein we report two new DTPA-like tags, 4PS-PyDTTA and 4PS-6M-PyDTTA that can be site-specifically attached to a protein with a stable thioether bond. Both protein-tag adducts form stable lanthanide complexes, of which the binding affinities and paramagnetic tensors are tunable with respect to the 6-methyl group in pyridine. Paramagnetic relaxation enhancement (PRE) effects of Gd(III) complex on protein-tag adducts were evaluated in comparison with pseudocontact shift (PCS), and the results indicated that both 4PS-PyDTTA and 4PS-6M-PyDTTA tags are rigid and present high-quality PREs that are crucially important in elucidation of the dynamics and interactions of proteins and protein-ligand complexes. We also show that these two tags are suitable for in-situ protein NMR analysis.

Depolarization of diffusing spins by paramagnetic impurities

International Nuclear Information System (INIS)

Schillaci, M.E.; Hutson, R.L.; Heffner, R.H.; Leon, M.; Dodds, S.A.; Estle, T.L.

1981-01-01

We study the depolarization of diffusing spins (muons) interacting with dilute paramagnetic impurities in a solid using a simple computational model which properly treats the muon motion and preserves correct muon-impurity distances. Long-range (dipolar) and nearest-neighbor (contact) interactions are treated together. Diffusion parameters are deduced and model comparisons made for AuGd (300 ppm). (orig.)

A superheterodyne spectrometer for electronic paramagnetic. Resonance

International Nuclear Information System (INIS)

Laffon, J.L.

1963-12-01

After a few generalities about electron paramagnetic resonance, a consideration of different experimental techniques authorises the choice of a particular type of apparatus. An EPR superheterodyne spectrometer built in the laboratory and having a novel circuit is described in detail. With this apparatus, many experimental results have been obtained and some of these are described as example. (author) [fr

Trispyrazolylborate Complexes: An Advanced Synthesis Experiment Using Paramagnetic NMR, Variable-Temperature NMR, and EPR Spectroscopies

Science.gov (United States)

Abell, Timothy N.; McCarrick, Robert M.; Bretz, Stacey Lowery; Tierney, David L.

2017-01-01

A structured inquiry experiment for inorganic synthesis has been developed to introduce undergraduate students to advanced spectroscopic techniques including paramagnetic nuclear magnetic resonance and electron paramagnetic resonance. Students synthesize multiple complexes with unknown first row transition metals and identify the unknown metals by…

About kinetics of paramagnetic radiation malformations in beryllium ceramics; O kinetike nakopleniya paramagnitnykh radiatsionnykh defectov v berillievykh keramikakh

Energy Technology Data Exchange (ETDEWEB)

Polyakov, A I; Ryabinkin, Yu A; Zashkvara, O V; Bitenbaev, M I [Fiziko-tekhniucheskij Inst. Ministerstva Nauki i Vysshego Obrazovaniya Respubliki Kazakhstan, Almaty (Kazakhstan); Petukhov, Yu V [Inst. Atomnoj Ehnergii Natsional' nogo Yadernogo Tsentra Respubliki Kazakhstan, Almaty (Kazakhstan)

1999-07-01

This paper [1] specifies that {gamma}-radiation of the beryllium-oxide-based ceramics results in development of paramagnetic radiation malformations emerging the ESR spectrum in form of doublet with the splitting rate of oestrasid {delta}{approx}1.6 and g-factor of 2.008. This report presents evaluation outcomes of dependence of paramagnetic radiation malformations concentration in beryllium ceramics on gamma-radiation dose ({sup 60}Co) within the range of 0-100 Mrad. Total paramagnetic parameters of beryllium ceramics in the range 0-100 Mrad of gamma-radiation dose varied slightly, and were specified by the first type of paramagnetic radiation malformations.

On superfluorescent generation of coherent radiation in a paramagnet

International Nuclear Information System (INIS)

Turaev, M.T.; Shumovsky, A.S.

1988-08-01

An exact definition is given of a superradiation intensity for a free system and for a system in cavity. The superradiant generation of the Zeeman transitions in proton paramagnet is described. (author). 7 refs, 2 figs

Paramagnetism and magnetic relaxation in melt-textured grown GdBa2Cu3O6+y

International Nuclear Information System (INIS)

Qin, M.J.; Fu, X.K.; Ren, H.T.

1996-01-01

Magnetic measurements have been performed on a melt-textured grown (MTG) GdBa 2 Cu 3 O 6+y sample. Because of the paramagnetism of the Gd 3+ ions, the magnetization relaxation rate is increased by a factor of 4πχ. The effect of paramagnetism on the U(J) relationship of the sample has also been discussed. At the end, we extraxted the U(J) relationship based on the field sweep rate H, which is in agreement with the one after corrections for paramagnetism. (orig.)

On kinetics of paramagnetic radiation defects accumulation in beryllium ceramics; O kinetike nakopleniya paramagnitnykh radiatsionnykh defektov v berillievykh keramikakh

Energy Technology Data Exchange (ETDEWEB)

Polyakov, A I; Ryabikin, Yu A; Zashkvara, O V; Bitenbaev, M I; Petykhov, Yu V [Fiziko-Tekhnicheskij Inst., Almaty (Kazakhstan); Inst. Atomnoj Ehnergii, Kurchatov (Kazakhstan)

1999-07-01

Results of paramagnetic radiation defects concentration dependence study in beryllium ceramics from gamma-irradiation dose ({sup 60}Co) within interval 0-100 Mrem are cited. Obtained dose dependence has form of accumulation curve with saturation typical of for majority of solids (crystals, different polymers, organic substances and others) , in which under irradiation occur not only formation of paramagnetic radiation defects, but its destruction due to recombination and interaction with radiation fields. Analysis of accumulation curve by the method of distant asymptotics allows to determine that observed in gamma-irradiated beryllium ceramics double line of electron spin resonance is forming of two types of paramagnetic radiation defects. It was defined, that sum paramagnetic characteristics of beryllium ceramics within 1-100 Mrad gamma- irradiation dose field change insignificantly and define from first type of paramagnetic radiation defects.

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.

Role of paramagnetic chromium in chromium(VI)-induced damage in cultured mammalian cells.

OpenAIRE

Sugiyama, M

1994-01-01

Chromium(VI) compounds are known to be potent toxic and carcinogenic agents. Because chromium(VI) is easily taken up by cells and is subsequently reduced to chromium(III), the formation of paramagnetic chromium such as chromium(V) and chromium(III) is believed to play a role in the adverse biological effects of chromium(VI) compounds. The present report, uses electron spin resonance (ESR) spectroscopy; the importance of the role of paramagnetic chromium in chromium(VI)-induced damage in intac...

Refinement of the ferri and paramagnetic phases of magnetite measured by neutron multiple diffraction

International Nuclear Information System (INIS)

Mazzochi, V.L.; Parente, C.B.R.

1989-10-01

Structural parameters of the ferri and paramagnetic phases of magnetite have been refined from neutron multiple diffraction data. Experimental patterns were obtained by measuring the III primary reflection of a natural single crystal of this compound, at room temperature for the ferrimagnetic phase and 703 0 C for the paramagnetic phase. Theoretical multiple diffraction patterns for both phases have been calculated by the program MULTI which uses the iterative method. In this method intensities are caluclated as Taylor series expansions summed up to a order sufficient for a good approximation. A step by step process has been used in the refinements similarly to the parameter-shift method. Final values for the discrepancy factor found for the ferri and paramagnetic phases were R = 3.96% and R = 3.46%, respectively. (author) [pt

Paramagnetic Nanoparticles Leave Their Mark on Nuclear Spins of Transiently Adsorbed Proteins.

Science.gov (United States)

Zanzoni, Serena; Pedroni, Marco; D'Onofrio, Mariapina; Speghini, Adolfo; Assfalg, Michael

2016-01-13

The successful application of nanomaterials in biosciences necessitates an in-depth understanding of how they interface with biomolecules. Transient associations of proteins with nanoparticles (NPs) are accessible by solution NMR spectroscopy, albeit with some limitations. The incorporation of paramagnetic centers into NPs offers new opportunities to explore bio-nano interfaces. We propose NMR paramagnetic relaxation enhancement as a new tool to detect NP-binding surfaces on proteins with increased sensitivity, also extending the applicability of NMR investigations to heterogeneous biomolecular mixtures. The adsorption of ubiquitin on gadolinium-doped fluoride-based NPs produced residue-specific NMR line-broadening effects mapping to a contiguous area on the surface of the protein. Importantly, an identical paramagnetic fingerprint was observed in the presence of a competing protein-protein association equilibrium, exemplifying possible interactions taking place in crowded biological media. The interaction was further characterized using isothermal titration calorimetry and upconversion emission measurements. The data indicate that the used fluoride-based NPs are not biologically inert but rather are capable of biomolecular recognition.

Multifrequency Electron Paramagnetic Resonance Theory and Applications

CERN Document Server

Misra, Sushil K

2011-01-01

Filling the gap for a systematic, authoritative, and up-to-date review of this cutting-edge technique, this book covers both low and high frequency EPR, emphasizing the importance of adopting the multifrequency approach to study paramagnetic systems in full detail by using the EPR method. In so doing, it discusses not only the underlying theory and applications, but also all recent advances -- with a final section devoted to future perspectives.

Magnon spin Hall magnetoresistance of a gapped quantum paramagnet

NARCIS (Netherlands)

Ulloa, Camilo; Duine, R.A.

2018-01-01

Motivated by recent experimental work, we consider spin transport between a normal metal and a gapped quantum paramagnet. We model the latter as the magnonic Mott-insulating phase of an easy-plane ferromagnetic insulator. We evaluate the spin current mediated by the interface exchange coupling

Electrically-detected electron paramagnetic resonance of point centers in 6H-SiC nanostructures

Czech Academy of Sciences Publication Activity Database

Bagraev, N.T.; Gets, D.S.; Kalabukhova, E.N.; Klyachkin, L.E.; Malyarenko, A.M.; Mashkov, V.A.; Savchenko, Dariia; Shanina, B.D.

2014-01-01

Roč. 48, č. 11 (2014), s. 1467-1480 ISSN 1063-7826 R&D Projects: GA MŠk(CZ) LM2011029 Grant - others:SAFMAT(XE) CZ.2.16/3.1.00/22132 Institutional support: RVO:68378271 Keywords : electron paramagnetic resonance * electrically- detected electron paramagnetic resonance * 6H -SiC nanostructures * nitrogen-vacancy defect * point defect Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.739, year: 2014

Investigation of paramagnetic saturation in lanthanum manganese nitrate

NARCIS (Netherlands)

Flokstra, Jakob; Meijer, H.C.; Bots, G.J.C.; Verheij, W.A.; van der Marel, L.C.

1973-01-01

Paramagnetic saturation of lanthanum manganese nitrate, La2Mn3(NO3)12·24H2O, has been investigated at liquid He temperatures in a static as well as a dynamical way. With the aid of the molecular-field theory the Casimir and Du Pré dispersion and absorption curves are adapted explicitly to the

Upcycling: converting waste plastics into paramagnetic, conducting, solid, pure carbon microspheres.

Science.gov (United States)

Pol, Vilas Ganpat

2010-06-15

The recent tremendous increase in the volume of waste plastics (WP) will have a harmful environmental impact on the health of living beings. Hundreds of years are required to degrade WP in atmospheric conditions. Hence, in coming years, in addition to traditional recycling services, innovative "upcycling" processes are necessary. This article presents an environmentally benign, solvent-free autogenic process that converts various WP [low density polyethylene (LDPE), high density polyethylene (HDPE), polyethylene terephthalate (PET), polystyrene (PS), or their mixtures] into carbon microspheres (CMSs), an industrially significant, value-added product. The thermal dissociation of these individual or mixed WP in a closed reactor under autogenic pressure ( approximately 1000 psi) produced dry, pure powder of CMSs. In this paper, the optimization of process parameters such as the effect of mixing of WP with other materials, and the role of reaction temperature and time are reported. Employing advanced analytical techniques, the atomic structure, composition, and morphology of as-obtained CMSs were analyzed. The room-temperature paramagnetism in CMSs prepared from waste LDPE, HDPE, and PS was further studied by electron paramagnetic resonance (EPR). The conducting and paramagnetic nature of CMSs holds promise for their potential applications in toners, printers, paints, batteries, lubricants, and tires.

Electron paramagnetic resonance of transition ions

CERN Document Server

Abragam, Anatole

1970-01-01

This book is a reissue of a classic Oxford text, and provides a comprehensive treatment of electron paramagnetic resonance of ions of the transition groups. The emphasis is on basic principles, with numerous references to publications containing further experimental results and more detailed developments of the theory. An introductory survey gives a general understanding, and a general survey presents such topics as the classical and quantum resonance equations, thespin-Hamiltonian, Endor, spin-spin and spin-lattice interactions, together with an outline of the known behaviour of ions of each

WOHLLEBEN EFFECT (PARAMAGNETIC MEISSNER EFFECT) IN HIGH-TEMPERATURE SUPERCONDUCTORS

NARCIS (Netherlands)

KHOMSKII, D

Recently a quite unexpected phenomenon was observed during the study of the magnetic properties of High-T(c) superconductors: In the field-cooled regime the magnetic response of some HTSC at very low fields (less than or similar to 1 Oe), instead of being diamagnetic, becomes paramagnetic. Such

Dynamical magnetic response of paramagnetic CeFe-2

International Nuclear Information System (INIS)

Rainford, B.D.; McK Paul, D.; Warwick Univ., Coventry

1988-01-01

Inelastic neutron scattering has been used to study the energy dependence of the paramagnetic response from CeFe 2 . Our results, when integrated over energy, are in excellent agreement with the polarised neutron experiments of Deportes et al., but the correlation length obtained by fitting the data to a double Lorentzian scattering function is significantly smaller than that derived previously

Dynamics in photosynthetic transient complexes studied by paramagnetic NMR spectroscopy

NARCIS (Netherlands)

Scanu, Sandra

2013-01-01

This PhD thesis focuses on fundamental aspects of protein-protein interactions. A multidisciplinary methodology for the detection and visualization of transient, lowly-populated encounter protein complexes is described. The new methodology combined paramagnetic NMR spectroscopy with computational

The paramagnetic effect in Type-I superconductors

International Nuclear Information System (INIS)

Rothen, F.; Lievre, C.

1975-01-01

The paramagnetic effect in superconductors was first observed by Steiner and Schoeneck in 1943. This effect takes place in a cylindrical wire if superconductivity is destroyed by a current J in the presence of a magnetic field He parallel to the axis: one notices that the average longitudinal magnetic induction inside the wire can greatly exceed He. An attempt is made to compute the maximal value of the longitudinal magnetic permeability of the current-carrying wire. (Auth.)

Fermi Surfaces in the Antiferromagnetic, Paramagnetic and Polarized Paramagnetic States of CeRh2Si2 Compared with Quantum Oscillation Experiments

Science.gov (United States)

Pourret, Alexandre; Suzuki, Michi-To; Palaccio Morales, Alexandra; Seyfarth, Gabriel; Knebel, Georg; Aoki, Dai; Flouquet, Jacques

2017-08-01

The large quantum oscillations observed in the thermoelectric power in the antiferromagnetic (AF) state of the heavy-fermion compound CeRh2Si2 disappear suddenly when entering in the polarized paramagnetic (PPM) state at Hc ˜ 26.5 T, indicating an abrupt reconstruction of the Fermi surface. The electronic band structure was calculated using [LDA+U] for the AF state taking the correct magnetic structure into account, for the PPM state, and for the paramagnetic state (PM). Different Fermi surfaces were obtained for the AF, PM, and PPM states. Due to band folding, a large number of branches was expected and observed in the AF state. The LDA+U calculation was compared with the previous LDA calculations. Furthermore, we compared both calculations with previously published de Haas-van Alphen experiments. The better agreement with the LDA approach suggests that above the critical pressure pc CeRh2Si2 enters in a mixed-valence state. In the PPM state under a high magnetic field, the 4f contribution at the Fermi level EF drops significantly compared with that in the PM state, and the 4f electrons contribute only weakly to the Fermi surface in our approach.

Paramagnetic metal complexes as potential relaxation agents for NMR imaging

International Nuclear Information System (INIS)

Coroiu, Ilioara; Demco, D. E.; Darabont, Al.; Bogdan, M.

1997-01-01

The development of nuclear magnetic resonance (NMR) imaging technique as a clinical diagnostic modality has prompted the need for a new class of pharmaceuticals. These drugs must be administered to a patient in order to enhance the image contrast between the normal and diseased tissue and/or indicate the status of organ function or blood flow. Paramagnetic compounds are presently undergoing extensive evaluation as contrast agents in magnetic resonance imaging (MRI). These agents increase contrast in MRI by differentially localizing in tissue where they increase the relaxation rates of nearby water protons. The longitudinal R 1 and transverse R 2 relaxivities were measured as a function of molar concentrations for some new paramagnetic complexes like the following: dysprosium, erbium and gadolinium citrates, gadolinium methylene diphosphonate, dysprosium and gadolinium iminodiacetate, manganese para-aminobenzoate and copper nicotinate. The available theoretical approaches for quantitative understanding are presented. (authors)

Site-specific tagging proteins with a rigid, small and stable transition metal chelator, 8-hydroxyquinoline, for paramagnetic NMR analysis

Energy Technology Data Exchange (ETDEWEB)

Yang, Yin; Huang, Feng [Nankai University, State Key Laboratory of Elemento-Organic Chemistry, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) (China); Huber, Thomas [Australian National University, Research School of Chemistry (Australia); Su, Xun-Cheng, E-mail: xunchengsu@nankai.edu.cn [Nankai University, State Key Laboratory of Elemento-Organic Chemistry, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) (China)

2016-02-15

Design of a paramagnetic metal binding motif in a protein is a valuable way for understanding the function, dynamics and interactions of a protein by paramagnetic NMR spectroscopy. Several strategies have been proposed to site-specifically tag proteins with paramagnetic lanthanide ions. Here we report a simple approach of engineering a transition metal binding motif via site-specific labelling of a protein with 2-vinyl-8-hydroxyquinoline (2V-8HQ). The protein-2V-8HQ adduct forms a stable complex with transition metal ions, Mn(II), Co(II), Ni(II), Cu(II) and Zn(II). The paramagnetic effects generated by these transition metal ions were evaluated by NMR spectroscopy. We show that 2V-8HQ is a rigid and stable transition metal binding tag. The coordination of the metal ion can be assisted by protein sidechains. More importantly, tunable paramagnetic tensors are simply obtained in an α-helix that possesses solvent exposed residues in positions i and i + 3, where i is the residue to be mutated to cysteine, i + 3 is Gln or Glu or i − 4 is His. The coordination of a sidechain carboxylate/amide or imidazole to cobalt(II) results in different structural geometries, leading to different paramagnetic tensors as shown by experimental data.

Role of spinning electrons in paramagnetic phenomena

International Nuclear Information System (INIS)

Bose, D.M.

1986-06-01

An attempt is made to explain paramagnetic phenomena without assuming the orientation of a molecule or ion in a magnetic field. Only the spin angular momentum is assumed to be responsible. A derivative of the Gurie-Langevin law and the magnetic moments of ions are given as a function of the number of electrons in an inner, incomplete shell. An explanation of Gerlach's experiments with iron and nickel vapors is attempted. An explanation of magnetomechanical experiments with ferromagnetic elements is given

Pauli Paramagnetic Susceptibility of an Ideal Anyon Gas within Haldane Fractional Exclusion Statistics

International Nuclear Information System (INIS)

Qin Fang; Chen Jisheng

2012-01-01

The finite-temperature Pauli paramagnetic susceptibility of a three-dimensional ideal anyon gas obeying Haldane fractional exclusion statistics is studied analytically. Different from the result of an ideal Fermi gas, the susceptibility of an ideal anyon gas depends on a statistical factor g in Haldane statistics model. The low-temperature and high-temperature behaviors of the susceptibility are investigated in detail. The Pauli paramagnetic susceptibility of the two-dimensional ideal anyons is also derived. It is found that the reciprocal of the susceptibility has the similar factorizable property which is exhibited in some thermodynamic quantities in two dimensions.

Susceptibility cancellation of a microcoil wound with a paramagnetic-liquid-filled copper capillary

Science.gov (United States)

Takeda, Kazuyuki; Takasaki, Tomoya; Takegoshi, K.

2015-09-01

Even though microcoils improve the sensitivity of NMR measurement of tiny samples, magnetic-field inhomogeneity due to the bulk susceptibility effect of the coil material can cause serious resonance-line broadening. Here, we propose to fabricate the microcoil using a thin, hollow copper capillary instead of a wire and fill paramagnetic liquid inside the capillary, so as to cancel the diamagnetic contribution of the copper. Susceptibility cancellation is demonstrated using aqueous solution of NiSO4. In addition, the paramagnetic liquid serves as coolant when it is circulated through the copper capillary, effectively transferring the heat generated by radiofrequency pulses.

A direct simulation method for flows with suspended paramagnetic particles

NARCIS (Netherlands)

Kang, T.G.; Hulsen, M.A.; Toonder, den J.M.J.; Anderson, P.D.; Meijer, H.E.H.

2008-01-01

A direct numerical simulation method based on the Maxwell stress tensor and a fictitious domain method has been developed to solve flows with suspended paramagnetic particles. The numerical scheme enables us to take into account both hydrodynamic and magnetic interactions between particles in a

High-field paramagnetic Meissner effect up to 14 T in melt-textured YBa_2Cu_3O_7_–_δ

International Nuclear Information System (INIS)

Dias, F.T.; Vieira, V.N.; Wolff-Fabris, F.; Kampert, E.; Gouvêa, C.P.; Campos, A.P.C.; Archanjo, B.S.; Schaf, J.; Obradors, X.; Puig, T.; Roa, J.J.; Sahoo, B.K.

2016-01-01

Highlights: • A persistent paramagnetic Meissner effect up to 14 T. • The PME with a slight tendency to saturate in high magnetic fields. • Strong time effects causing a paramagnetic relaxation dependent on the cooling rate. - Abstract: We have performed magnetization experiments in a melt-textured YBa_2Cu_3O_7_-_δ (Y123) sample with Y_2BaCuO_5 (Y211) inclusions, under magnetic fields up to 14 T applied parallel or perpendicular to the ab plane. Magnetic anisotropy and paramagnetic moments were observed in both FC (field-cooling) and FCW (field-cooled warming) procedures and these features correspond to the so-called High-Field Paramagnetic Meissner Effect (HFPME). The HFPME effect increases monotonically as the magnetic field rises and a strong paramagnetic relaxation, toward increasing paramagnetic moment was additionally observed as a function of time. Microscopy analysis revealed a complex and correlated microstructure of the Y211 particles. These correlated defects are well known to cause strong flux pinning. Our results suggest a scenario of strong flux compression within weak or non-superconducting regions of the samples, developed as a consequence of the Meissner effect and assisted by strong flux pinning by the Y211 particles. This scenario is observed up to 14 T and clearly persists beyond.

Dosimetry of ionizing radiations by Electron paramagnetic resonance; Dosimetria de radiaciones ionizantes por resonancia paramagnetica electronica

Energy Technology Data Exchange (ETDEWEB)

Azorin N, J [UAM-I, Av. San Rafael Atlixco 186, 09340 Mexico D.F. (Mexico)

2005-07-01

In this work, some historical and theoretical aspects about the Electron Paramagnetic Resonance (EPR), its characteristics, the resonance detection, the paramagnetic species, the radiation effects on inorganic and organic materials, the diagrams of the instrumentation for the EPR detection, the performance of an EPR spectrometer, the coherence among EPR and dosimetry and, practical applications as well as in the food science there are presented. (Author)

Some examples of utilization of electron paramagnetic resonance in biology

International Nuclear Information System (INIS)

Bemski, G.

1982-10-01

A short outline of the fundamentals of electron paramagnetic resonance (EPR) is presented and is followed by examples of the application of EPR to biology. These include use of spin labels, as well as of ENDOR principally to problems of heme proteins, photosynthesis and lipids. (Author) [pt

Data acquisition system for electronic paramagnetic resonance spectrophotometer

International Nuclear Information System (INIS)

Pena Eguiluz, R.

1992-01-01

In the Atomic and Molecular Physics Laboratory at the Physics Department of the Instituto Nacional de Investigaciones Nucleares (ININ), there is in operation an electronic paramagnetic resonance spectrometer (EPR). This equipment is utilized for determine, the distribution of the absorbed energy intensity for a sample of paramagnetic substance by means of the study and analysis of its emission lines spectrum. The useful information is provided as a graphic result showing the spectrum corresponding to the analyzed sample. In similar devices like this, the researchers problem, trying to get the important information, is a hard and imprecise work, thus, this process of find the ordinate magnitudes of a approximately two hundred points, equal spaced in the spectrum, is carried out completely by hand. After this, the information is captured and processed in a personal computer. As a solution for this problem, an interface in both aspects, hardware and software adaptable to a personal computer, was designed and constructed. This interface is able to: a) To get and digitized the analogical signal, that represents the corresponding spectrum curve. b) It stores the digitized information in files and c) It displays in graphic mode the stored data, and then these are normalized in order to be transferred to a statistics and analytical software packets (Author)

AgInS{sub 2}-ZnS nanocrystals: Evidence of bistable states using light-induced electron paramagnetic resonance and photoluminescence

Energy Technology Data Exchange (ETDEWEB)

Nobre, Sonia S.; Renard, Olivier; Chevallier, Theo; Le Blevennec, Gilles [Laboratoire d' Innovation pour les Technologies des Energies Nouvelles et les Nanomateriaux, Departement de Technologie des Nano-Materiaux, Service d' Elaboration de Nanomateriaux, Laboratoire de Synthese et Integration des Nanomateriaux, CEA-Grenoble (France); Lombard, Christian; Pepin-Donat, Brigitte [Laboratoire Structure et Proprietes d' Architecture Moleculaire (UMR 5819) CEA-CNRS - UJF/INAC/CEA-Grenoble (France)

2014-04-15

The precursor (AgIn){sub x} Zn{sub 2(1-x)}(S{sub 2}CN(C{sub 2}H{sub 5}){sub 2}){sub 4} was used to prepared AgInS{sub 2}-ZnS nanocrystals with different compositions (x = 0.4 and x = 0.7) and with different time of reaction (10 min and 75 min). The photoluminescence features of the nanocrystals were addressed by combining steady-state spectroscopy and light-induced electron paramagnetic resonance. Both techniques showed the contribution of at least two components for the emission, previously assigned to surface and intrinsic states. Light-induced electron paramagnetic resonance allowed detection of the photocreation both of irreversible paramagnetic species that are likely responsible for the nano-crystals degradation assigned to surface states and of reversible paramagnetic species assigned to intrinsic states. Moreover, reversible bistable paramagnetic states were observed. This Letter provides a scheme that might be useful in addressing the well-known problem of aging of the nanocrystals. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Intrinsic electric dipole moments of paramagnetic atoms : Rubidium and cesium

NARCIS (Netherlands)

Nataraj, H. S.; Sahoo, B. K.; Das, B. P.; Mukherjee, D.

2008-01-01

The electric dipole moment (EDM) of paramagnetic atoms is sensitive to the intrinsic EDM contribution from that of its constituent electrons and a scalar-pseudoscalar (S-PS) electron-nucleus interaction. The electron EDM and the S-PS contributions to the EDMs of these atoms scale as approximate to

Electron paramagnetic resonance study on the ionizing radiation induced defects of the tooth enamel hydroxyapatite

International Nuclear Information System (INIS)

Oliveira, Liana Macedo de

1995-01-01

Hydroxyapatite is the main constituent of calcified tissues. Defects induced by ionizing radiations in this biomineral can present high stability and then, these are used as biological markers in radiological accidents, irradiated food identifying and geological and archaeological dating. In this work, paramagnetic centers induced on the enamel of the teeth by environmental ionizing radiation, are investigated by electron paramagnetic resonance (EPR). Decay thermal kinetic presents high complexity and shows the formation of different electron ligation energy centers and structures

Observation of a Griffiths-like phase in the paramagnetic regime of ErCo2

International Nuclear Information System (INIS)

Herrero-Albillos, Julia; GarcIa, Luis Miguel; Bartolome, Fernando

2009-01-01

A systematic x-ray magnetic circular dichroism study of the paramagnetic phase of ErCo 2 has recently allowed us to identify the inversion of the net magnetization of the Co net moment with respect to the applied field well above the ferrimagnetic ordering temperature, T c . The study of small-angle neutron scattering measurements has also shown the presence of short range order correlations in the same temperature region. This phenomenon, which we have denoted parimagnetism, may be related to the onset of a Griffiths-like phase in paramagnetic ErCo 2 . We have measured ac susceptibility on ErCo 2 as a function of temperature, applied field and excitation frequency. Several characteristics shared by systems showing a Griffiths phase are present in ErCo 2 , namely the formation of ferromagnetic clusters in the disordered phase, the loss of analyticity of the magnetic susceptibility and its extreme sensitivity to an applied magnetic field. The paramagnetic susceptibility allows us to establish that the magnetic clusters are only formed by Co moments as well as the intrinsic nature of those Co moments.

Introduction to Spin Label Electron Paramagnetic Resonance Spectroscopy of Proteins

Science.gov (United States)

Melanson, Michelle; Sood, Abha; Torok, Fanni; Torok, Marianna

2013-01-01

An undergraduate laboratory exercise is described to demonstrate the biochemical applications of electron paramagnetic resonance (EPR) spectroscopy. The beta93 cysteine residue of hemoglobin is labeled by the covalent binding of 3-maleimido-proxyl (5-MSL) and 2,2,5,5-tetramethyl-1-oxyl-3-methyl methanethiosulfonate (MTSL), respectively. The excess…

Electron paramagnetic resonance (EPR) biodosimetry

International Nuclear Information System (INIS)

Desrosiers, Marc; Schauer, David A.

2001-01-01

Radiation-induced electron paramagnetic resonance (EPR) signals were first reported by Gordy et al. [Proc. Natl. Acad. Sci. USA 41 (1955) 983]. The application of EPR spectroscopy to ionizing radiation dosimetry was later proposed by Brady et al. [Health Phys. 15 (1968) 43]. Since that time EPR dosimetry has been applied to accident and epidemiologic dose reconstruction, radiation therapy, food irradiation, quality assurance programs and archaeological dating. Materials that have been studied include bone, tooth enamel, alanine and quartz. This review paper presents the fundamentals and applications of EPR biodosimetry. Detailed information regarding sample collection and preparation, EPR measurements, dose reconstruction, and data analysis and interpretation will be reviewed for tooth enamel. Examples of EPR biodosimetry application in accidental overexposures, radiopharmaceutical dose assessment and retrospective epidemiologic studies will also be presented

Paramagnetic pharmaceuticals for functional studies

International Nuclear Information System (INIS)

Hall, L.D.; Hogan, P.G.

1987-01-01

It has been suggested that limitations of the Magnetic Resonance Imaging (MRI) method may be minimised by the use of ''image contrast'' agents. These are exogenous chemicals administered to the patient which, by influencing the magnetic resonance properties of the water in the region of the pathology, serve to heighten the contrast between that tissue and its surroundings. At present the most widely used agent is gadolinium-DTPA (Gd-DTPA). This appears to have many desirable features and its development provides a textbook example for the early stages of any future development. All compounds used so far can be subdivided into one of the following categories: Paramagnetic metal species; Ferromagnetic metal species; Stable free radicals; Oxygen carriers; Susceptibility agents; and Density substitution agents. The authors summarise briefly these chemical substances and their reported uses

Two-point anchoring of a lanthanide-binding peptide to a target protein enhances the paramagnetic anisotropic effect

International Nuclear Information System (INIS)

Saio, Tomohide; Ogura, Kenji; Yokochi, Masashi; Kobashigawa, Yoshihiro; Inagaki, Fuyuhiko

2009-01-01

Paramagnetic lanthanide ions fixed in a protein frame induce several paramagnetic effects such as pseudo-contact shifts and residual dipolar couplings. These effects provide long-range distance and angular information for proteins and, therefore, are valuable in protein structural analysis. However, until recently this approach had been restricted to metal-binding proteins, but now it has become applicable to non-metalloproteins through the use of a lanthanide-binding tag. Here we report a lanthanide-binding peptide tag anchored via two points to the target proteins. Compared to conventional single-point attached tags, the two-point linked tag provides two to threefold stronger anisotropic effects. Though there is slight residual mobility of the lanthanide-binding tag, the present tag provides a higher anisotropic paramagnetic effect

In vivo imaging of a stable paramagnetic probe by pulsed-radiofrequency electron paramagnetic resonance spectroscopy

DEFF Research Database (Denmark)

Murugesan; Cook; Devasahayam

1997-01-01

, Recent advances in radiofrequency (RF) electronics have enabled the generation of pulses of the order of 10-50 ns. Such short pulses provide adequate spectral coverage for EPR studies at 300 MHz resonant frequency. Acquisition of free induction decays (FID) of paramagnetic species possessing...... inhomogeneously broadened narrow lines after pulsed excitation is feasible with an appropriate digitizer/averager. This report describes the use of time-domain RF EPR spectrometry and imaging for in vivo applications. FID responses were collected from a water-soluble, narrow line width spin probe within phantom...... samples in solution and also when infused intravenously in an anesthetized mouse. Using static magnetic field gradients and back-projection methods of image reconstruction, two-dimensional images of the spin-probe distribution were obtained in phantom samples as well as in a mouse. The resolution...

Paramagnetic resonance and electronic conduction in organic semiconductors; Resonance paramagnetique et conduction electroniques dans les semi-conducteurs organiques

Energy Technology Data Exchange (ETDEWEB)

Nechtschein, M. [Commissariat a l' energie atomique et aux energies alternatives - CEA, Laboratoire de Resonance Magnetique (France)

1963-07-01

As some organic bodies simultaneously display semi-conducting properties and a paramagnetism, this report addresses the study of conduction in organic bodies. The author first briefly recalls how relationships between conductibility and Electron Paramagnetic Resonance (EPR) can be noticed in a specific case (mineral and metallic semiconductors). He discusses published results related to paramagnetism and conductibility in organic bodies. He reviews various categories of organic bodies in which both properties are simultaneously present. He notably addresses radical molecular crystals, non-radical molecular crystals, charge transfer complexes, pyrolyzed coals, and pseudo-ferromagnetic organic structures. He discusses the issue of relationships between conduction (charge transfer by electrons) and ERP (which reveals the existence of non-paired electrons which provide free spins)

Electron paramagnetic resonance in Cu-doped ZnO

Science.gov (United States)

Buchheit, R.; Acosta-Humánez, F.; Almanza, O.

2016-04-01

In this work, ZnO and Cu-doped ZnO nanoparticles (Zn1-xCuxO, x = 3%), with a calcination temperature of 500∘C were synthesized using the sol-gel method. The particles were analyzed using atomic absorption spectroscopy (AAS), X-ray diffraction (XRD) and electron paramagnetic resonance (EPR) at X-band, measurement in a temperature range from 90 K to room temperature. AAS confirmed a good correspondence between the experimental doping concentration and the theoretical value. XRD reveals the presence of ZnO phase in hexagonal wurtzite structure and a nanoparticle size for the samples synthesized. EPR spectroscopy shows the presence of point defects in both samples with g-values of g = 1.959 for shallow donors and g = 2.004 for ionized vacancies. It is important when these materials are required have been used as catalysts, as suggested that it is not necessary prepare them at higher temperature. A simulation of the Cu EPR signal using an anisotropic spin Hamiltonian was performed and showed good coincidence with the experimental spectra. It was shown that Cu2+ ions enter interstitial octahedral sites of orthorhombic symmetry in the wurtzite crystal structure. Temperature dependence of the EPR linewidth and signal intensity shows a paramagnetic behavior of the sample in the measurement range. A Néel temperature TN = 78 ± 19 K was determined.

Electron paramagnetic resonance of rhyolite and γ-irradiated trona minerals

International Nuclear Information System (INIS)

Koeksal, F.; Koeseoglu, R.; Basaran, E.

2003-01-01

Rhyolite from the ''Yellow Stone of Nevsehir'' and γ-irradiated trona from the Ankara Mine have been investigated by electron paramagnetic resonance at ambient temperature and at 113 K. Rhyolite was examined by X-ray powder diffraction and found to consist mainly of SiO 2 . Before γ-irradiation, the existing paramagnetic species in rhyolite were identified as PO 4 2- , CH 2 OH, CO 3 - , SO 2 - , CO 3 3- , and CO 2 - free radicals and Fe 3+ at ambient temperature. At 113 K SO 2 - , CO 3 3- , and CO 2 - radicals and Fe 3+ were observed. The γ-irradiation produced neither new species nor detectable effects on these free radicals. The disappearance of some of the radicals at 113 K is attributed to the freezing of their motions. Before γ-irradiation, the trona mineral shows only Mn 2+ lines, but after γ-irradiation it indicated the inducement of CO 3 3- and CO 2 - radicals at ambient temperature, 113 K, in addition to the Mn 2+ lines. The g and a values of the species were determined. (orig.)

Paramagnetic ionic liquids for measurements of density using magnetic levitation.

Science.gov (United States)

Bwambok, David K; Thuo, Martin M; Atkinson, Manza B J; Mirica, Katherine A; Shapiro, Nathan D; Whitesides, George M

2013-09-03

Paramagnetic ionic liquids (PILs) provide new capabilities to measurements of density using magnetic levitation (MagLev). In a typical measurement, a diamagnetic object of unknown density is placed in a container containing a PIL. The container is placed between two magnets (typically NdFeB, oriented with like poles facing). The density of the diamagnetic object can be determined by measuring its position in the magnetic field along the vertical axis (levitation height, h), either as an absolute value or relative to internal standards of known density. For density measurements by MagLev, PILs have three advantages over solutions of paramagnetic salts in aqueous or organic solutions: (i) negligible vapor pressures; (ii) low melting points; (iii) high thermal stabilities. In addition, the densities, magnetic susceptibilities, glass transition temperatures, thermal decomposition temperatures, viscosities, and hydrophobicities of PILs can be tuned over broad ranges by choosing the cation-anion pair. The low melting points and high thermal stabilities of PILs provide large liquidus windows for density measurements. This paper demonstrates applications and advantages of PILs in density-based analyses using MagLev.

Antiferromagnetic–paramagnetic state transition of NiO synthesized by pulsed laser deposition

CSIR Research Space (South Africa)

Nkosi, SS

2013-01-01

Full Text Available respectively from Raman spectroscopy study. These particle sizes are known be affected by substrate temperature during the deposition. Electron spin resonance (ESR) results demonstrated a strange antiferromagnetic to paramagnetic transition at a room...

Two-dimensional NMR measurement and point dipole model prediction of paramagnetic shift tensors in solids

Energy Technology Data Exchange (ETDEWEB)

Walder, Brennan J.; Davis, Michael C.; Grandinetti, Philip J. [Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210 (United States); Dey, Krishna K. [Department of Physics, Dr. H. S. Gour University, Sagar, Madhya Pradesh 470003 (India); Baltisberger, Jay H. [Division of Natural Science, Mathematics, and Nursing, Berea College, Berea, Kentucky 40403 (United States)

2015-01-07

A new two-dimensional Nuclear Magnetic Resonance (NMR) experiment to separate and correlate the first-order quadrupolar and chemical/paramagnetic shift interactions is described. This experiment, which we call the shifting-d echo experiment, allows a more precise determination of tensor principal components values and their relative orientation. It is designed using the recently introduced symmetry pathway concept. A comparison of the shifting-d experiment with earlier proposed methods is presented and experimentally illustrated in the case of {sup 2}H (I = 1) paramagnetic shift and quadrupolar tensors of CuCl{sub 2}⋅2D{sub 2}O. The benefits of the shifting-d echo experiment over other methods are a factor of two improvement in sensitivity and the suppression of major artifacts. From the 2D lineshape analysis of the shifting-d spectrum, the {sup 2}H quadrupolar coupling parameters are 〈C{sub q}〉 = 118.1 kHz and 〈η{sub q}〉 = 0.88, and the {sup 2}H paramagnetic shift tensor anisotropy parameters are 〈ζ{sub P}〉 = − 152.5 ppm and 〈η{sub P}〉 = 0.91. The orientation of the quadrupolar coupling principal axis system (PAS) relative to the paramagnetic shift anisotropy principal axis system is given by (α,β,γ)=((π)/2 ,(π)/2 ,0). Using a simple ligand hopping model, the tensor parameters in the absence of exchange are estimated. On the basis of this analysis, the instantaneous principal components and orientation of the quadrupolar coupling are found to be in excellent agreement with previous measurements. A new point dipole model for predicting the paramagnetic shift tensor is proposed yielding significantly better agreement than previously used models. In the new model, the dipoles are displaced from nuclei at positions associated with high electron density in the singly occupied molecular orbital predicted from ligand field theory.

Towards interpretation of intermolecular paramagnetic relaxation enhancement outside the fast exchange limit.

Science.gov (United States)

Ceccon, Alberto; Marius Clore, G; Tugarinov, Vitali

2016-09-01

In an exchanging system between major and minor species, the transverse paramagnetic relaxation enhancement rate observed on the resonances of the major species (Γ 2 (app) ) is dependent upon the exchange regime between the species. Quantitative analysis of PRE data in such systems typically assumes that the overall exchange rate k ex between the species is fast on the PRE time scale (k ex ≫ Γ2). Recently, we have characterized the kinetics of binding of the model protein ubiquitin to large (LUV) and small (SUV) unilamellar lipid-based nanoparticles or liposomes (Ceccon A, Tugarinov V, Bax A, Clore GM (2016). J Am Chem Soc 138:5789-5792). Building upon these results and taking advantage of a strong paramagnetic agent with an isotropic g-tensor, Gd(3+), we were able to measure intermolecular methyl carbon and proton PREs between paramagnetically-tagged liposomes and ubiquitin. In the limit of fast exchange (k ex ≫ Γ2) the ratio of the apparent proton to carbon methyl PREs, ((1)Hm-Γ 2 (app) )/((13)Cm-Γ 2 (app) ), is equal to the square of the ratio of the gyromagnetic ratios of the two nuclei, (γΗ/γC)(2). However, outside the fast exchange regime, under intermediate exchange conditions (e.g. when Γ2 is comparable in magnitude to k ex) the ((1)Hm-Γ 2 (app) )/((13)Cm-Γ 2 (app) ) ratio provides a reliable measure of the 'true' methyl PREs.

Electron paramagnetic resonance investigation of polycrystalline CaCu3Ti4O12

International Nuclear Information System (INIS)

Mozzati, Maria Cristina; Azzoni, Carlo Bruno; Capsoni, Doretta; Bini, Marcella; Massarotti, Vincenzo

2003-01-01

Electron paramagnetic resonance (EPR) measurements on pure polycrystalline CaCu 3 Ti 4 O 12 have been performed and are discussed within a crystal-field approach. A symmetric signal centred at g = 2.15 is observed for T>25 K, with no evidence of hyperfine structure. At this temperature an antiferromagnetic transition is observed as confirmed by static magnetization data. Cu defective and 2% doped (V, Cr, Mn, La) samples were also prepared and considered, mainly to understand the nature of the observed paramagnetic centre. Substitutions in the octahedral sites, causing variations of the configuration in CuO 4 -TiO 6 -CuO 4 complexes, change the magnetic and EPR features. To justify the EPR response a strong copper-hole delocalization is suggested

Thermally stimulated luminescence and electron paramagnetic resonance studies on uranium doped calcium phosphate

CERN Document Server

Natarajan, V; Veeraraghavan, R; Sastry, M D

2003-01-01

Thermally stimulated luminescence (TSL) and electron paramagnetic resonance (EPR) studies on uranium doped calcium phosphate yielded mechanistic information on the observed glow peaks at 365, 410 and 450 K. TSL spectral studies of the glow peaks showed that UO sub 2 sup 2 sup + acts as the luminescent center. Electron paramagnetic resonance studies on gamma-irradiated samples revealed that the predominant radiation induced centers are H sup 0 , PO sub 4 sup 2 sup - , PO sub 3 sup 2 sup - and O sup - ion. Studies on the temperature dependence studies of the EPR spectra of samples annealed to different temperatures indicate the role of H sup 0 and PO sub 4 sup 2 sup - ions in the main glow peak at 410 K.

Correlation between temperature dependence of elastic moduli and Debye temperature of paramagnetic metal

International Nuclear Information System (INIS)

Bodryakov, V.Yu.; Povzner, A.A.

2000-01-01

The correlation between the temperature dependence of elastic moduli and the Debye temperature of paramagnetic metal is analyzed in neglect of the temperature dependence of the Poison coefficient σ within the frames of the Debye-Grueneisen presentations. It is shown, that namely the temperature dependence of the elastic moduli determines primarily the temperature dependence of the Debye temperature Θ(T). On the other hand, the temperature dependence Θ(T) very weakly effects the temperature dependence of the elastic moduli. The later made it possible to formulate the self-consistent approach to calculation of the elastic moduli temperature dependence. The numerical estimates of this dependence parameters are conducted by the example of the all around compression modulus of the paramagnetic lutetium [ru

Size-induced effect upon the Neel temperature of the antiferro/paramagnetic transition in gadolinium oxide nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Mutelet, B.; Martini, M.; Perriat, P. [Universite de Lyon, MATEIS, UMR 5510 CNRS, Villeurbanne (France); Keller, N. [Universite de Versailles-St-Quentin, GEMAC, UMR 8635 CNRS, Versailles (France); Roux, S. [Universite de Franche-Comte, UTINAM, UMR 6213 CNRS, Besanon (France); Flores-Gonzales, M.A.; Lux, F.; Tillement, O.; Billotey, C.; Janier, M. [Universite de Lyon, Universite Claude Bernard, LPCML, Villeurbanne (France); Villiers, C. [Institut Albert Bonniot, INSERM U823, La Tronche (France); Novitchi, Ghenadie; Luneau, Dominique [Universite de Lyon, Universite Claude Bernard, Laboratoire des Multimateriaux et Interfaces, Villeurbanne (France)

2011-10-15

In this paper, we demonstrate that cubic gadolinium oxide is paramagnetic and follows the Curie-Weiss law from 20 K to room temperature for particles size comprised between 3.5 and 60 nm. The largest particles (60 nm) possess the macroscopic behaviour of Gd oxide with a Neel temperature, T{sub N}, close to 18 K (Gd oxide is antiferromagnetic below T{sub N}, paramagnetic above). Then size-induced effects can be encountered only for particles smaller than 60 nm. We find that the finite-size scaling model used for describing the size evolution of the antiferro/paramagnetic transition is valid for sizes comprised between 3.5 and 35 nm with parameters in excellent agreement with those usually found for antiferromagnetic materials. The correlation length (3.6 nm) is of the order of magnitude of a few lattice parameters and the critical exponent {lambda} is found equal to 1.3, a value very close to that predicted by the three dimensional Heisenberg model ({lambda}=1.4). (orig.)

Aberrant paramagnetic signals outside the tumor volume on routine surveillance MRI of brain tumor patients.

Science.gov (United States)

Yust-Katz, Shlomit; Inbar, Edna; Michaeli, Natalia; Limon, Dror; Siegal, Tali

2017-09-01

Late complications of cerebral radiation therapy (RT) involve vascular injury with acquired cavernous malformation, telangiectasias and damage to vascular walls which are well recognized in children. Its incidence in adults is unknown. Blood products and iron deposition that accompany vascular injury create paramagnetic effects on MRI. This study retrospectively investigated the frequency of paramagnetic lesions on routine surveillance MRI of adult brain tumor patients. MRI studies of 115 brain tumor patients were reviewed. Only studies containing sequences of either susceptibility weighted images or gradient echo or blood oxygenation level dependent imaging were included. Lesions inside the tumor volume were not considered. 68 studies fulfilled the above criteria and included 48 patients with previous RT (35 followed for >2 years and 13 for 1 year) and 20 patients who were not treated with RT. The median age at time of irradiation was 47 years. Aberrant paramagnetic lesions were found in 23/35 (65%) patients followed for >2 years after RT and in only 1/13 (8%) patients followed for 1-year after radiation (p = 0.03). The 1-year follow-up group did not differ from the control group [2/20 (9%)]. Most lesions were within the radiation field and none of the patients had related symptomatology. The number and incidence of these lesions increased with time and amounted to 75% over 3 years post RT. MRI paramagnetic signal aberrations are common findings in adult brain tumor patients that evolve over time after RT. The clinical significance of these lesions needs further investigation.

Magneto-Optical Properties of Paramagnetic Superrotors

Science.gov (United States)

Milner, A. A.; Korobenko, A.; Floß, J.; Averbukh, I. Sh.; Milner, V.

2015-07-01

We study the dynamics of paramagnetic molecular superrotors in an external magnetic field. An optical centrifuge is used to create dense ensembles of oxygen molecules in ultrahigh rotational states. In is shown, for the first time, that the gas of rotating molecules becomes optically birefringent in the presence of a magnetic field. The discovered effect of "magneto-rotational birefringence" indicates the preferential alignment of molecular axes along the field direction. We provide an intuitive qualitative model, in which the influence of the applied magnetic field on the molecular orientation is mediated by the spin-rotation coupling. This model is supported by the direct imaging of the distribution of molecular axes, the demonstration of the magnetic reversal of the rotational Raman signal, and by numerical calculations.

Solid-state NMR paramagnetic relaxation enhancement immersion depth studies in phospholipid bilayers

KAUST Repository

Chu, Shidong; Maltsev, Sergey B.; Emwas, Abdul-Hamid M.; Lorigan, Gary A.

2010-01-01

A new approach for determining the membrane immersion depth of a spin-labeled probe has been developed using paramagnetic relaxation enhancement (PRE) in solid-state NMR spectroscopy. A DOXYL spin label was placed at different sites of 1-palmitoyl-2

Thermal properties of paramagnetic solid helium 3

International Nuclear Information System (INIS)

Goldstein, L.

1983-01-01

It was shown in recent work that over a limited molar volume range and at asymptotically high temperatures the thermal modulations of the pressure along isochores of paramagnetic solid 3 He could be accounted for through the formalism of the Heisenberg model of an antiferromagnetically interacting localized spin- 1/2 system. The internal consistency of this formalism requires the characteristic exchange-interaction parameter of the model derived from pressure modulation data to be identical with that appearing in the other thermal properties of this quantum solid. In a restricted temperature region where the spin excitations are the dominant thermal excitations of the solid, heat capacity data yield exchange-interaction parameters in fair agreement with those derived from pressures along isochores of larger molar volume. At higher temperatures, within well-defined limitations, thermal excitations involve both spin and phononexcitations. Here, because of the opposite temperature variations of the spin and phonon heat capacity components, the ensuing heat capacity minimum determines exactly the exchange-energy parameter and the relevant limiting Debye temperature as a function of the measured temperature location and value of the heat capacity extremum along the experimentally explored isochore. The exchange-energy parameters so derived display larger deviations from their predicted pressure-based values than those resulting from the lower temperature but still asymptotic spin-only heat capacities. At the present time, ambiguities in the experimental determinations of the characteristic Weiss temperatures of the asymptotic paramagnetic susceptibilities prevent one from deriving exchange-energy parameters with them. The present work leads to the prediction, within the limitations of the model formalism, of thermal properties of magnetized solid 3 He

Paramagnetic properties of the (U1-xTbx)Co2Ge2 solid solutions

International Nuclear Information System (INIS)

Kuznietz, Moshe; Pinto, Haim; Ettedgui, Hanania

1995-01-01

Polycrystalline (U 1-x Tb x )Co 2 Ge 2 solid solutions have the ThCr 2 Si 2 -type crystal structure and order antiferromagnetically. AC-susceptibility at 80-295 K yields paramagnetic Curie temperatures θ=-350±50, -15±5, -50±15, -12±5, and -80±5 K, and effective magnetic moments μ eff =4.5, 5.9, 7.3, 8.5, and 12.0 (±0.5)μ B , for samples with x=0, 0.25, 0.50, 0.75 and 1, respectively. The high μ eff values are related to occurrence of paramagnetic moments on U, Tb and Co, of which only U and Tb moments order magnetically. ((orig.))

Effect of paramagnetic manganese cations on H-1 MRS of the brain

DEFF Research Database (Denmark)

Madsen, K. S.; Holm, David Alberg; Søgaard, L. V.

2008-01-01

Manganese cations (Mn2+) call be used as all intracellular contrast agent for structural, functional and neural pathway imaging applications. However, at high concentrations, Mn2+ is neurotoxic and play influence the concentration of H-1 MR-detectable metabolites. Furthermore, the paramagnetic Mn...

Electron paramagnetic resonance (EPR) in medical dosimetry

International Nuclear Information System (INIS)

Schauer, David A.; Iwasaki, Akinori; Romanyukha, Alexander A.; Swartz, Harold M.; Onori, Sandro

2006-01-01

This paper describes the fundamentals of electron paramagnetic resonance (EPR) and its application to retrospective measurements of clinically significant doses of ionizing radiation. X-band is the most widely used in EPR dosimetry because it represents a good compromise between sensitivity, sample size and water content in the sample. Higher frequency bands (e.g., W and Q) provide higher sensitivity, but they are also greatly influenced by water content. L and S bands can be used for EPR measurements in samples with high water content but they are less sensitive than X-band. Quality control for therapeutic radiation facilities using X-band EPR spectrometry of alanine is also presented

Fermionic spin liquid analysis of the paramagnetic state in volborthite

Science.gov (United States)

Chern, Li Ern; Schaffer, Robert; Sorn, Sopheak; Kim, Yong Baek

2017-10-01

Recently, thermal Hall effect has been observed in the paramagnetic state of volborthite, which consists of distorted kagome layers with S =1 /2 local moments. Despite the appearance of magnetic order below 1 K , the response to external magnetic field and unusual properties of the paramagnetic state above 1 K suggest possible realization of exotic quantum phases. Motivated by these discoveries, we investigate possible spin liquid phases with fermionic spinon excitations in a nonsymmorphic version of the kagome lattice, which belongs to the two-dimensional crystallographic group p 2 g g . This nonsymmorphic structure is consistent with the spin model obtained in the density functional theory calculation. Using projective symmetry group analysis and fermionic parton mean field theory, we identify twelve distinct Z2 spin liquid states, four of which are found to have correspondence in the eight Schwinger boson spin liquid states we classified earlier. We focus on the four fermionic states with bosonic counterpart and find that the spectrum of their corresponding root U (1 ) states features spinon Fermi surface. The existence of spinon Fermi surface in candidate spin liquid states may offer a possible explanation of the finite thermal Hall conductivity observed in volborthite.

A minor conformation of a lanthanide tag on adenylate kinase characterized by paramagnetic relaxation dispersion NMR spectroscopy

International Nuclear Information System (INIS)

Hass, Mathias A. S.; Liu, Wei-Min; Agafonov, Roman V.; Otten, Renee; Phung, Lien A.; Schilder, Jesika T.; Kern, Dorothee; Ubbink, Marcellus

2015-01-01

NMR relaxation dispersion techniques provide a powerful method to study protein dynamics by characterizing lowly populated conformations that are in dynamic exchange with the major state. Paramagnetic NMR is a versatile tool for investigating the structures and dynamics of proteins. These two techniques were combined here to measure accurate and precise pseudocontact shifts of a lowly populated conformation. This method delivers valuable long-range structural restraints for higher energy conformations of macromolecules in solution. Another advantage of combining pseudocontact shifts with relaxation dispersion is the increase in the amplitude of dispersion profiles. Lowly populated states are often involved in functional processes, such as enzyme catalysis, signaling, and protein/protein interactions. The presented results also unveil a critical problem with the lanthanide tag used to generate paramagnetic relaxation dispersion effects in proteins, namely that the motions of the tag can interfere severely with the observation of protein dynamics. The two-point attached CLaNP-5 lanthanide tag was linked to adenylate kinase. From the paramagnetic relaxation dispersion only motion of the tag is observed. The data can be described accurately by a two-state model in which the protein-attached tag undergoes a 23° tilting motion on a timescale of milliseconds. The work demonstrates the large potential of paramagnetic relaxation dispersion and the challenge to improve current tags to minimize relaxation dispersion from tag movements

Dynamic polarization in paramagnetic solids and microscopic correlation functions

International Nuclear Information System (INIS)

Boucher, Jean-Paul

1972-01-01

The different effects of Dynamic Nuclear Polarization in paramagnetic solids are described by means of a single thermodynamic formalism. In the case of large exchange interactions, the Overhauser effect correlated with nuclear relaxation time measurements can provide a way of studying correlation functions between electronic spins. This method is used to study the low-frequency behaviour of the microscopic spectral density which should diverge as ω → 0, in the case of a linear exchange chain. (author) [fr

Application of Flow Focusing to the Break-Up of a Magnetite Suspension Jet for the Production of Paramagnetic Microparticles

International Nuclear Information System (INIS)

Banderas, L.M.; Arevalo, M.F.; Banderas, L.M.; Flores-Mosquera, M.; Arevalo, M.F.; Ganan-Calvo, A.M.; Gonzalez-Prieto, R.; Rodriguez-Gi, A.; Chavez, S.; Ganan-Calvo, A.M.

2009-01-01

Paramagnetic particles offer an extensive improvement in the magnetic separation or purification of a wide variety of protein molecules. Most commercial paramagnetic particles are synthesized by laborious and costly procedures. A straightforward production of paramagnetic microparticles with homogeneous and selectable sizes using flow focusing (FF) technology is described in this work. The development of an initial formulation of a stable iron oxide suspension compatible with the FF requirements is also reported. The obtained particles, below 10 microns in diameter and presenting smooth and reactive surface, were codified with an organic fluorophore and showed excellent properties for covalent attachment of biomolecules such as proteins and its subsequent recognition by flow cytometry. Furthermore, particles with suitable magnetite content resulted as well-suited for commercial magnet separators for these purposes

Topology and immersion depth of an integral membrane protein by paramagnetic rates from dissolved oxygen.

Science.gov (United States)

Al-Abdul-Wahid, M Sameer; Verardi, Raffaello; Veglia, Gianluigi; Prosser, R Scott

2011-09-01

In studies of membrane proteins, knowledge of protein topology can provide useful insight into both structure and function. In this work, we present a solution NMR method for the measurement the tilt angle and average immersion depth of alpha helices in membrane proteins, from analysis of the paramagnetic relaxation rate enhancements arising from dissolved oxygen. No modification to the micelle or protein is necessary, and the topology of both transmembrane and amphipathic helices are readily determined. We apply this method to the measure the topology of a monomeric mutant of phospholamban (AFA-PLN), a 52-residue membrane protein containing both an amphipathic and a transmembrane alpha helix. In dodecylphosphocholine micelles, the amphipathic helix of AFA-PLN was found to have a tilt angle of 87° ± 1° and an average immersion depth of 13.2 Å. The transmembrane helix was found to have an average immersion depth of 5.4 Å, indicating residues 41 and 42 are closest to the micelle centre. The resolution of paramagnetic relaxation rate enhancements from dissolved oxygen compares favourably to those from Ni (II), a hydrophilic paramagnetic species.

Topology and immersion depth of an integral membrane protein by paramagnetic rates from dissolved oxygen

International Nuclear Information System (INIS)

Al-Abdul-Wahid, M. Sameer; Verardi, Raffaello; Veglia, Gianluigi; Prosser, R. Scott

2011-01-01

In studies of membrane proteins, knowledge of protein topology can provide useful insight into both structure and function. In this work, we present a solution NMR method for the measurement the tilt angle and average immersion depth of alpha helices in membrane proteins, from analysis of the paramagnetic relaxation rate enhancements arising from dissolved oxygen. No modification to the micelle or protein is necessary, and the topology of both transmembrane and amphipathic helices are readily determined. We apply this method to the measure the topology of a monomeric mutant of phospholamban (AFA-PLN), a 52-residue membrane protein containing both an amphipathic and a transmembrane alpha helix. In dodecylphosphocholine micelles, the amphipathic helix of AFA-PLN was found to have a tilt angle of 87° ± 1° and an average immersion depth of 13.2 Å. The transmembrane helix was found to have an average immersion depth of 5.4 Å, indicating residues 41 and 42 are closest to the micelle centre. The resolution of paramagnetic relaxation rate enhancements from dissolved oxygen compares favourably to those from Ni (II), a hydrophilic paramagnetic species.

Identification of paramagnetic nitrogen centers (P1) in diamond crystallites synthesized via the sintering of detonation nanodiamonds at high pressure and temperature

Science.gov (United States)

Osipov, V. Yu.; Shakhov, F. M.; Efimov, N. N.; Minin, V. V.; Kidalov, S. V.; Vul', A. Ya.

2017-06-01

Diamond single crystals synthesized from powder detonation nanodiamonds (DNDs) by means of treatment at high pressures ( P 7 GPa) and temperatures ( T > 1300°C) have been studied by electron paramagnetic resonance (EPR). A key feature of treatment (high-pressure high-temperature (HPHT) sintering) is the use of low molecular weight alcohols in the process. The appearance of a hyperfine EPR signal structure due to "paramagnetic nitrogen" (P1 centers) is explained by the growth of submicron and micron diamond single crystals from DND nanocrystals by the oriented attachment and coalescence mechanism. Such growth and coarsening of crystals appreciably decreases the concentration of paramagnetic centers, the presence of which hinders the detection of a hyperfine structure in the EPR signal from P1 centers, in the near-surface areas of coalesced and grown together DND particles. It has been shown that the concentration of paramagnetic defects of all types decreases to 3.1 × 1018 g-1 ( 60 ppm) during HPHT treatment at T = 1650°C. This causes the successful identification of P1 centers, whose fraction is no less than 40% of the total amount of paramagnetic centers in microcrystals synthesized by HPHT sintering.

Application of the Electron paramagnetic resonance to the ionizing radiation dosimetry

International Nuclear Information System (INIS)

Urena N, F.

2000-01-01

The Electron Paramagnetic Resonance (EPR) is defined as the resonant absorption of electromagnetic energy in paramagnetic substances by the spin transition of a non-pairing electron between different energy levels in presence of a magnetic field. (Slighter, 1989). One of the more important characteristic of EPR is that the electron spin levels are subdivided by the electron interaction with the magnetic dipoles of the nearby nucleus giving occasion for a spectral structure called hyperfine structure. In this kind of interactions two limit cases are distinguished: 1. when the non-pairing electron is located in a central ion surrounded of atoms belonging to coordinate molecules. 2. When a non-pairing electron interactioning in the same form with a number of equivalent nucleus, which is common in organic radicals, these will give as result spectra. Some EPR spectrometer can be used to dosimetric purposes by free radicals via. In this work, it is presented the application of EPR to dosimetry of ionizing radiations by free radicals via which allows to determinations of high doses. (Author)

Paramagnetism in ion-implanted oxides

CERN Document Server

Mølholt, Torben Esmann; Gíslason, Hafliði Pétur; Ólafsson, Sveinn

This thesis describes the investigation on para-magnetism in dilute ion-implanted single-crystal oxide samples studied by on- and off-line $^{57}$Fe emission Mössbauer spectroscopy. The ion-implantation of the radioactive isotopes ( $^{57}$Mn and $^{57}$Co) was performed at the ISOLDE facility at CERN in Geneva, Switzerland. The off-line measurements were performed at Aarhus University, Denmark. Mössbauer spectroscopy is a unique method, giving simultaneously local information on valence/spin state of the $^{57}$Fe probe atoms, site symmetry and magnetic properties on an atomic scale. The utilisation of emission Mössbauer spectroscopy opens up many new possibilities compared with traditional transmission Mössbauer spectroscopy. Among them is the possibility of working with a low concentration below 10$^{-4}$ –10$^{-3}$ at.%, where the implanted Mössbauer $^{57}$Fe probes are truly dilute impurities exclusively interacting with their nearest neighbours and therefore the possibility of crea...

Zeeman-Stern Gerlach deceleration of supersonic beams of paramagnetic particles with traveling waves of magnetic field

International Nuclear Information System (INIS)

Trimeche, Azer

2013-01-01

This work focuses on the study and implementation of a new technique of deceleration of a supersonic beam of paramagnetic particles using a co-moving progressive wave of magnetic field. This technique relies on a method of slowing based on Stern-Gerlach forces acting on a paramagnetic system in motion in the presence of a co-propagating magnetic field. This highly innovative approach has the advantage of being applicable to a wide range of species and opens up new opportunities. A suitable theoretical approach is followed, that allows for a direct link between theory, programming of experimental parameters, and experimental results in a systematic, rational and predictive manner. The understanding and control of the dynamics of trapping at a given speed, acceleration and deceleration require decoupling between the transverse and longitudinal effects of the wave. These effects are clearly visible when the added uniform magnetic field limits the transverse effects of the progressive wave of magnetic field. The outlooks for the new Zeeman Stern Gerlach decelerator are numerous. Deceleration paramagnetic molecules, free radicals and neutrons are possible. (author) [fr

High-field paramagnetic Meissner effect up to 14 T in melt-textured YBa{sub 2}Cu{sub 3}O{sub 7–δ}

Energy Technology Data Exchange (ETDEWEB)

Dias, F.T., E-mail: fabio.dias@ufpel.edu.br [Instituto de Física e Matemática, Universidade Federal de Pelotas, Caixa Postal 354, 96010-900, Pelotas, Rio Grande do Sul (Brazil); Vieira, V.N. [Instituto de Física e Matemática, Universidade Federal de Pelotas, Caixa Postal 354, 96010-900, Pelotas, Rio Grande do Sul (Brazil); Wolff-Fabris, F.; Kampert, E. [Dresden High Magnetic Field Laboratory, Helmholtz-Zentrum Dresden-Rossendorf, 01314, Dresden (Germany); Gouvêa, C.P.; Campos, A.P.C.; Archanjo, B.S. [National Institute of Metrology, Quality and Technology (Inmetro), Material Metrology Division, 25250-020, Duque de Caxias, Rio de Janeiro (Brazil); Schaf, J. [Instituto de Física, Universidade Federal do Rio Grande do Sul, 91501-970, Porto Alegre, Rio Grande do Sul (Brazil); Obradors, X.; Puig, T. [Institut de Ciència de Materials de Barcelona, CSIC, Universitat Autònoma de Barcelona, 08193, Bellaterra (Spain); Roa, J.J. [Departamento de Ciencia de Materiales e Ingeniería Metalúrgica, Universitat Politècnica de Catalunya, 08028, Barcelona (Spain); Sahoo, B.K. [Goverment College (Autonomous), Angul, 759143 Odisha (India)

2016-06-15

Highlights: • A persistent paramagnetic Meissner effect up to 14 T. • The PME with a slight tendency to saturate in high magnetic fields. • Strong time effects causing a paramagnetic relaxation dependent on the cooling rate. - Abstract: We have performed magnetization experiments in a melt-textured YBa{sub 2}Cu{sub 3}O{sub 7-δ} (Y123) sample with Y{sub 2}BaCuO{sub 5} (Y211) inclusions, under magnetic fields up to 14 T applied parallel or perpendicular to the ab plane. Magnetic anisotropy and paramagnetic moments were observed in both FC (field-cooling) and FCW (field-cooled warming) procedures and these features correspond to the so-called High-Field Paramagnetic Meissner Effect (HFPME). The HFPME effect increases monotonically as the magnetic field rises and a strong paramagnetic relaxation, toward increasing paramagnetic moment was additionally observed as a function of time. Microscopy analysis revealed a complex and correlated microstructure of the Y211 particles. These correlated defects are well known to cause strong flux pinning. Our results suggest a scenario of strong flux compression within weak or non-superconducting regions of the samples, developed as a consequence of the Meissner effect and assisted by strong flux pinning by the Y211 particles. This scenario is observed up to 14 T and clearly persists beyond.

Paramagnetic contrast media for magnetic resonance imaging of the central nervous system

International Nuclear Information System (INIS)

McNamara, M.T.

1987-01-01

Presently, a variety of radiofrequency (RF) and magnetic field gradient pulse sequences is used to manipulate magnetic resonance (MR) image contrast. Such manipulation may be performed by altering the RF pulse sequence repetition time (TR), the spin-echo delay time (TE), the inversion-delay time (TI), and the flip angle. The detection and characterization of a lesion or structure may thus be optimized. Although such contrast manipulation is noninvasive, magnetic resonance imaging (MRI) still suffers somewhat from lack of specificity. Also, the use of multiple imaging sequences to locate and characterize a lesion may prolong the imaging time and, thus, might place an economic burden on the system. Paramagnetic pharmaceuticals offer promise in this regard. They shorten tissue relaxation times, thus permitting the use of shorter imaging parameters, and in some circumstances, may obviate additional and more time-consuming pulse sequences. Paramagnetics could expand the sensitivity and specificity of MRI and provide functional information with regard to tissue perfusion, tissue viability, and blood-brain barrier integrity

Electron paramagnetic resonance of isolated Assub(Ga)+ antisite defect in neutron-transmutation doped semi-insulating GaAs

International Nuclear Information System (INIS)

Manasreh, M.O.; McDonald, P.F.; Kivlighn, S.A.; Minton, J.T.; Covington, B.C.

1988-01-01

The isolated Assub(Ga) antisite defect produced by the neutron-transmutation doping in semi-insulating GaAs was studied using the electron paramagnetic resonance technique. The results show that the optically induced quenching of the isolated Assub(Ga) + antisite defect is quite different from that of the EL2 center. Illumination with white light seems to always reduce the electron paramagnetic resonance spectrum suggesting that depopulation of the EL2 center does not introduce a noticeable change in the Assub(Ga) + antisite concentration. (author)

Electron paramagnetic resonance and optical absorption of uranium ions diluted in CdF2 single crystals

International Nuclear Information System (INIS)

Pereira, J.J.C.R.

1976-08-01

The electron paramagnetic resonance (EPR) has been studied in conection with the optical absortion spectra of Uranium ions diluted in CdF 2 single crystals. Analyses of the EPR and optical absorption spectra obtained experimentally, and a comparison with known results in the isomorfic CaF 2 , SrF 2 and BaF 2 , allowed the identification of two paramagnetic centers associated with Uranium ions. These are the U(2+) ion in cubic symmetry having the triplet γ 5 as ground state, and the U(3+) ion in cubic symmetry having the dublet γ 6 as ground state. (Author) [pt

Electron paramagnetic resonance investigations of carbon-doped β rhombohedral boron

International Nuclear Information System (INIS)

Gercke, U.; Siems, C.-D.

1979-01-01

Electron paramagnetic resonance (EPR) measurements at 9 and 35 GHz on polycrystalline β rhombohedral boron with various carbon contents resulted in partly resolved absorption spectra. At 300 K the spin density ratio of two lines (called D and E) showed a linear increase with the carbon content. This ratio is temperature dependent. The lines D and E are photo-EPR active with different quantum efficiencies at various temperatures. (Auth.)

Retrospective dosimetry of nail by Electron Paramagnetic Resonance

International Nuclear Information System (INIS)

Giannoni, Ricardo A.; Rodrigues Junior, Orlando

2015-01-01

The purpose of this study is to characterize samples of human nails, subjected to irradiation of high doses through Technical Electron Paramagnetic Resonance (EPR). The goal is to establish a dose/response relationship in order to assess dose levels absorbed by individuals exposed in radiation accidents situations, retrospectively. Samples of human nails were irradiated with gamma radiation, and received a dose of 20 Gy. EPR measurements performed on samples before irradiation identified EPR signals associated with defects caused by the mechanical action of the sample collection. After irradiation other species of free radicals, associated with the action of gamma radiation, have been identified

Towards interpretation of intermolecular paramagnetic relaxation enhancement outside the fast exchange limit

International Nuclear Information System (INIS)

Ceccon, Alberto; Marius Clore, G.; Tugarinov, Vitali

2016-01-01

In an exchanging system between major and minor species, the transverse paramagnetic relaxation enhancement rate observed on the resonances of the major species (Γ_2"a"p"p) is dependent upon the exchange regime between the species. Quantitative analysis of PRE data in such systems typically assumes that the overall exchange rate k_e_x between the species is fast on the PRE time scale (k_e_x ≫ Γ_2). Recently, we have characterized the kinetics of binding of the model protein ubiquitin to large (LUV) and small (SUV) unilamellar lipid-based nanoparticles or liposomes (Ceccon A, Tugarinov V, Bax A, Clore GM (2016). J Am Chem Soc 138:5789–5792). Building upon these results and taking advantage of a strong paramagnetic agent with an isotropic g-tensor, Gd"3"+, we were able to measure intermolecular methyl carbon and proton PREs between paramagnetically-tagged liposomes and ubiquitin. In the limit of fast exchange (k_e_x ≫ Γ_2) the ratio of the apparent proton to carbon methyl PREs, ("1H_m–Γ_2"a"p"p)/("1"3C_m–Γ_2"a"p"p), is equal to the square of the ratio of the gyromagnetic ratios of the two nuclei, (γ_Η/γ_C)"2. However, outside the fast exchange regime, under intermediate exchange conditions (e.g. when Γ_2 is comparable in magnitude to k_e_x) the ("1H_m–Γ_2"a"p"p)/("1"3C_m–Γ_2"a"p"p) ratio provides a reliable measure of the ‘true’ methyl PREs.

Identification and Quantification of Copper Sites in Zeolites by Electron Paramagnetic Resonance Spectroscopy

DEFF Research Database (Denmark)

Godiksen, Anita; Vennestrøm, Peter N. R.; Rasmussen, Søren Birk

2017-01-01

Recent quantitative electron paramagnetic resonance spectroscopy (EPR) data on different copper species present in copper exchanged CHA zeolites are presented and put into context with the literature on other copper zeolites. Results presented herein were obtained using ex situ and in situ EPR...

Functional behavior of the anomalous magnetic relaxation observed in melt-textured YBa_2Cu_3O_7_-_δ samples showing the paramagnetic Meissner effect

International Nuclear Information System (INIS)

Dias, F.T.; Vieira, V.N.; Garcia, E.L.; Wolff-Fabris, F.; Kampert, E.; Gouvêa, C.P.; Schaf, J.; Obradors, X.; Puig, T.; Roa, J.J.

2016-01-01

Highlights: • Paramagnetic Meissner effect observed up to 5T in FCC and FCW measurements. • Time effects evidenced by irreversibilities between FCC and FCW measurements. • Strong time effects causing an anomalous paramagnetic relaxation. • Paramagnetic relaxation governed by different flux dynamics in different intervals. • An interpretative analysis to identify the flux dynamics in the relaxation process. - Abstract: We have studied the functional behavior of the field-cooled (FC) magnetic relaxation observed in melt-textured YBa_2Cu_3O_7_-_δ (Y123) samples with 30 wt% of Y_2Ba_1Cu_1O_5 (Y211) phase, in order to investigate anomalous paramagnetic moments observed during the experiments. FC magnetic relaxation experiments were performed under controlled conditions, such as cooling rate and temperature. Magnetic fields up to 5T were applied parallel to the ab plane and along the c-axis. Our results are associated with the paramagnetic Meissner effect (PME), characterized by positive moments during FC experiments, and related to the magnetic flux compression into the samples. After different attempts our experimental data could be adequately fitted by an exponential decay function with different relaxation times. We discuss our results suggesting the existence of different and preferential flux dynamics governing the anomalous FC paramagnetic relaxation in different time intervals. This work is one of the first attempts to interpret this controversial effect in a simple analysis of the pinning mechanisms and flux dynamics acting during the time evolution of the magnetic moment. However, the results may be useful to develop models to explain this interesting and still misunderstood feature of the paramagnetic Meissner effect.

Tunable paramagnetic relaxation enhancements by [Gd(DPA)3]3- for protein structure analysis

International Nuclear Information System (INIS)

Yagi, Hiromasa; Loscha, Karin V.; Su, Xun-Cheng; Stanton-Cook, Mitchell; Huber, Thomas; Otting, Gottfried

2010-01-01

Paramagnetic relaxation enhancements (PRE) present a powerful source of structural information in nuclear magnetic resonance (NMR) studies of proteins and protein-ligand complexes. In contrast to conventional PRE reagents that are covalently attached to the protein, the complex between gadolinium and three dipicolinic acid (DPA) molecules, [Gd(DPA) 3 ] 3- , can bind to proteins in a non-covalent yet site-specific manner. This offers straightforward access to PREs that can be scaled by using different ratios of [Gd(DPA) 3 ] 3- to protein, allowing quantitative distance measurements for nuclear spins within about 15 A of the Gd 3+ ion. Such data accurately define the metal position relative to the protein, greatly enhancing the interpretation of pseudocontact shifts induced by [Ln(DPA) 3 ] 3- complexes of paramagnetic lanthanide (Ln 3+ ) ions other than gadolinium. As an example we studied the quaternary structure of the homodimeric GCN4 leucine zipper.

Temperature dependence of Q-band electron paramagnetic resonance spectra of nitrosyl heme proteins

Energy Technology Data Exchange (ETDEWEB)

Flores, Marco; Wajnberg, Eliane; Bemski, George

1997-11-01

The Q-band (35 GHz) electron paramagnetic resonance (EPR) spectra of nitrosyl hemoglobin (Hb N O) and nitrosyl myoglobin (Mb NO) were studied as a function of temperature between 19 K and 200 K. The spectra of both heme proteins show classes of variations as a function of temperature. The first one has previously been associated with the existence of two paramagnetic species, one with rhombic and the other with axial symmetry. The second one manifests itself in changes in the g-factors and linewidths of each species. These changes are correlated with the conformational substates model and associate the variations of g-values with changes in the angle of the N(his)-Fe-N (NO) bond in the rhombic species and with changes in the distance between Fe and N of the proximal (F8) histidine in the axial species. (author) 24 refs., 6 figs.

In vivo electron paramagnetic resonance oximetry and applications in the brain

Directory of Open Access Journals (Sweden)

John M Weaver

2017-01-01

Full Text Available Molecular oxygen (O2 is essential to brain function and mechanisms necessary to regulate variations in delivery or utilization of O2 are crucial to support normal brain homeostasis, physiology and energy metabolism. Any imbalance in cerebral tissue partial pressure of O2 (pO2 levels may lead to pathophysiological complications including increased reactive O2 species generation leading to oxidative stress when tissue O2 level is too high or too low. Accordingly, the need for oximetry methods, which assess cerebral pO2 in vivo and in real time, is imperative to understand the role of O2 in various metabolic and disease states, including the effects of treatment and therapy options. In this review, we provide a brief overview of the common in vivo oximetry methodologies for measuring cerebral pO2 . We discuss the advantages and limitations of oximetry methodologies to measure cerebral pO2 in vivo followed by a more in-depth review of electron paramagnetic resonance oximetry spectroscopy and imaging using several examples of current electron paramagnetic resonance oximetry applications in the brain.

Towards interpretation of intermolecular paramagnetic relaxation enhancement outside the fast exchange limit

Energy Technology Data Exchange (ETDEWEB)

Ceccon, Alberto; Marius Clore, G., E-mail: mariusc@mail.nih.gov; Tugarinov, Vitali, E-mail: vitali.tugarinov@nih.gov [National Institutes of Health, Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases (United States)

2016-09-15

In an exchanging system between major and minor species, the transverse paramagnetic relaxation enhancement rate observed on the resonances of the major species (Γ{sub 2}{sup app}) is dependent upon the exchange regime between the species. Quantitative analysis of PRE data in such systems typically assumes that the overall exchange rate k{sub ex} between the species is fast on the PRE time scale (k{sub ex} ≫ Γ{sub 2}). Recently, we have characterized the kinetics of binding of the model protein ubiquitin to large (LUV) and small (SUV) unilamellar lipid-based nanoparticles or liposomes (Ceccon A, Tugarinov V, Bax A, Clore GM (2016). J Am Chem Soc 138:5789–5792). Building upon these results and taking advantage of a strong paramagnetic agent with an isotropic g-tensor, Gd{sup 3+}, we were able to measure intermolecular methyl carbon and proton PREs between paramagnetically-tagged liposomes and ubiquitin. In the limit of fast exchange (k{sub ex} ≫ Γ{sub 2}) the ratio of the apparent proton to carbon methyl PREs, ({sup 1}H{sub m}–Γ{sub 2}{sup app})/({sup 13}C{sub m}–Γ{sub 2}{sup app}), is equal to the square of the ratio of the gyromagnetic ratios of the two nuclei, (γ{sub Η}/γ{sub C}){sup 2}. However, outside the fast exchange regime, under intermediate exchange conditions (e.g. when Γ{sub 2} is comparable in magnitude to k{sub ex}) the ({sup 1}H{sub m}–Γ{sub 2}{sup app})/({sup 13}C{sub m}–Γ{sub 2}{sup app}) ratio provides a reliable measure of the ‘true’ methyl PREs.

Curie-type paramagnetic NMR relaxation in the aqueous solution of Ni(II).

Science.gov (United States)

Mareš, Jiří; Hanni, Matti; Lantto, Perttu; Lounila, Juhani; Vaara, Juha

2014-04-21

Ni(2+)(aq) has been used for many decades as a model system for paramagnetic nuclear magnetic resonance (pNMR) relaxation studies. More recently, its magnetic properties and also nuclear magnetic relaxation rates have been studied computationally. We have calculated electron paramagnetic resonance and NMR parameters using quantum-mechanical (QM) computation of molecular dynamics snapshots, obtained using a polarizable empirical force field. Statistical averages of hyperfine coupling, g- and zero-field splitting tensors, as well as the pNMR shielding terms, are compared to the available experimental and computational data. In accordance with our previous work, the isotropic hyperfine coupling as well as nuclear shielding values agree well with experimental measurements for the (17)O nuclei of water molecules in the first solvation shell of the nickel ion, whereas larger deviations are found for (1)H centers. We report, for the first time, the Curie-type contribution to the pNMR relaxation rate using QM calculations together with Redfield relaxation theory. The Curie relaxation mechanism is analogous to chemical shift anisotropy relaxation, well-known in diamagnetic NMR. Due to the predominance of other types of paramagnetic relaxation mechanisms for this system, it is possible to extract the Curie term only computationally. The Curie mechanism alone would result in around 16 and 20 s(-1) of relaxation rates (R1 and R2 respectively) for the (1)H nuclei of water molecules bonded to the Ni(2+) center, in a magnetic field of 11.7 T. The corresponding (17)O relaxation rates are around 33 and 38 s(-1). We also report the Curie contribution to the relaxation rate for molecules beyond the first solvation shell in a 1 M solution of Ni(2+) in water.

Paramagnetic hyperfine interactions of iron in solid ammonia from Moessbauer spectroscopy

International Nuclear Information System (INIS)

Litterst, F.J.; Saitovitch, E.M.B.; Terra, J.

1988-01-01

Moessbauer studies on highly dilute 57 Fe in solid ammonia are reported. The hyperfine parameters of the paramagnetic reaction product FeNH 3 point to a nearly atomic configuration of iron [Ar]3d 7 4s. The electronic spin relaxation slows down rapidly under application of an external magnetic field. The field dependence of the magnetic hyperfine patterns indicates a strong axial magnetic anisotropy. (author) [pt

Development of polarization magneto-optics of paramagnetic crystals

International Nuclear Information System (INIS)

Zapasskij, V.S.; Feofilov, P.P.

1975-01-01

The present status of the polarization magnetooptics of crystals containing paramagnetic ion impurities is reviewed. The paper discusses methods of measurement of circular magnetic anisotropy and results obtained in recent years in the field of conventional magnetooptical studies, e.g., magnetooptical activity in absorption spectra for intrinsic and impurity defects in crystals, luminescence magnetic circular polarization, anisotropy of magnetooptical activity in cubic crystals. The main emphasis is placed on new trends in polarization magnetooptics: studies of interactions of a spin system with a lattice, in particular, spin-lattice relaxation and spin memory effect, experiments in the double radiooptical resonance, studies of optical spin relaxation, nonlinear magnetooptical effects, etc

Molecular orbital calculations of the unpaired electron distribution and electric field gradients in divalent paramagnetic Ir complexes

International Nuclear Information System (INIS)

Nogueira, S.R.; Vugman, N.V.; Guenzburger, D.

1988-01-01

Semi-empirical Molecular Orbital calculations were performed for the paramagnetic complex ions [Ir(CN) 5 ] 3- , [Ir(CN) 5 Cl] 4- and [Ir(CN) 4 Cl 2 ] 4- . Energy levels schemes and Mulliken-type populations were obtained. The distribution of the unpaired spin over the atoms in the complexes was derived, and compared to data obtained from Electron Paramagnetic Resonance spectra with the aid of a Ligand Field model. The electric field gradients at the Ir nucleus were calculated and compared to experiment. The results are discussed in terms of the chemical bonds formed by Ir and the ligands. (author) [pt

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.

Study of the ferrimagnetic and paramagnetic phases of magnetite measured by multiple neutron diffraction

International Nuclear Information System (INIS)

Mazzocchi, V.L.

1992-01-01

Structural parameters of the ferrimagnetic and paramagnetic phases of magnetite have been refined from neutron multiple diffraction data. Experimental multiple diffraction patterns used in the refinement, were obtained by measuring the 111 primary reflection of a natural single crystal of this compound, at room temperature for the ferrimagnetic phase and 703 0 C for the paramagnetic phase. Corresponding theoretical patterns for both phases have been calculated by the program MULTI which uses the iterative method for the intensity calculations in neutron multiple diffraction. In this method intensities are calculated as Taylor series expansions summed up to a order sufficient for a good approximation. A step by step process has been used in the refinements according to the parameter-shift method. Both isotropic and anisotropic thermal parameters were used in the calculation of the temperature factor. (author)

Hysteresis loops of spin-dependent electronic current in a paramagnetic resonant tunnelling diode

International Nuclear Information System (INIS)

Wójcik, P; Spisak, B J; Wołoszyn, M; Adamowski, J

2012-01-01

Nonlinear properties of the spin-dependent electronic transport through a semiconductor resonant tunnelling diode with a paramagnetic quantum well are considered. The spin-dependent Wigner–Poisson model of the electronic transport and the two-current Mott’s formula for the independent spin channels are applied to determine the current–voltage curves of the nanodevice. Two types of the electronic current hysteresis loops are found in the current–voltage characteristics for both the spin components of the electronic current. The physical interpretation of these two types of the electronic current hysteresis loops is given based on the analysis of the spin-dependent electron densities and the potential energy profiles. The differences between the current–voltage characteristics for both the spin components of the electronic current allow us to explore the changes of the spin polarization of the current for different electric fields and determine the influence of the electronic current hysteresis on the spin polarization of the current flowing through the paramagnetic resonant tunnelling diode. (paper)

First-principles calculation of the magnetic properties of paramagnetic fcc iron

International Nuclear Information System (INIS)

Johnson, D.D.; Gyorffy, B.L.; Pinski, F.J.; Staunton, J.; Stocks, G.M.

1985-01-01

Using the disordered local moment picture of itinerant magnetism, we present calculations of the temperature and volume dependence of the magnetic moment and spin-spin correlations for fcc Fe in the paramagnetic state. These calculations are based on the parameter-free, first principles approach of local spin density functional theory and the coherent potential approximation is used to treat the disorder associated with the random orientation of the local moments

Mobility of TOAC spin-labelled peptides binding to the Src SH3 domain studied by paramagnetic NMR

Energy Technology Data Exchange (ETDEWEB)

Lindfors, Hanna E. [Leiden University, Leiden Institute of Chemistry, Gorlaeus Laboratories (Netherlands); Koning, Peter E. de; Wouter Drijfhout, Jan [Leiden University Medical Centre, Department of Immunohematology and Blood Transfusion (Netherlands); Venezia, Brigida; Ubbink, Marcellus [Leiden University, Leiden Institute of Chemistry, Gorlaeus Laboratories (Netherlands)], E-mail: m.ubbink@chem.leidenuniv.nl

2008-07-15

Paramagnetic relaxation enhancement provides a tool for studying the dynamics as well as the structure of macromolecular complexes. The application of side-chain coupled spin-labels is limited by the mobility of the free radical. The cyclic, rigid amino acid spin-label TOAC (2,2,6,6-Tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid), which can be incorporated straightforwardly by peptide synthesis, provides an attractive alternative. In this study, TOAC was incorporated into a peptide derived from focal adhesion kinase (FAK), and the interaction of the peptide with the Src homology 3 (SH3) domain of Src kinase was studied, using paramagnetic NMR. Placing TOAC within the binding motif of the peptide has a considerable effect on the peptide-protein binding, lowering the affinity substantially. When the TOAC is positioned just outside the binding motif, the binding constant remains nearly unaffected. Although the SH3 domain binds weakly and transiently to proline-rich peptides from FAK, the interaction is not very dynamic and the relative position of the spin-label to the protein is well-defined. It is concluded that TOAC can be used to generate reliable paramagnetic NMR restraints.

Mobility of TOAC spin-labelled peptides binding to the Src SH3 domain studied by paramagnetic NMR

International Nuclear Information System (INIS)

Lindfors, Hanna E.; Koning, Peter E. de; Wouter Drijfhout, Jan; Venezia, Brigida; Ubbink, Marcellus

2008-01-01

Paramagnetic relaxation enhancement provides a tool for studying the dynamics as well as the structure of macromolecular complexes. The application of side-chain coupled spin-labels is limited by the mobility of the free radical. The cyclic, rigid amino acid spin-label TOAC (2,2,6,6-Tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid), which can be incorporated straightforwardly by peptide synthesis, provides an attractive alternative. In this study, TOAC was incorporated into a peptide derived from focal adhesion kinase (FAK), and the interaction of the peptide with the Src homology 3 (SH3) domain of Src kinase was studied, using paramagnetic NMR. Placing TOAC within the binding motif of the peptide has a considerable effect on the peptide-protein binding, lowering the affinity substantially. When the TOAC is positioned just outside the binding motif, the binding constant remains nearly unaffected. Although the SH3 domain binds weakly and transiently to proline-rich peptides from FAK, the interaction is not very dynamic and the relative position of the spin-label to the protein is well-defined. It is concluded that TOAC can be used to generate reliable paramagnetic NMR restraints

Nuclear and solid state investigations for the non-cubic paramagnetic system europium in samarium

International Nuclear Information System (INIS)

Boehm, R.

1979-01-01

By means of the time-differential perturbed angular gamma distribution after a nuclear reaction (TDPAD) the g-values of the isomer 1 1/2 - states are measured in 145 Eu and 147 Eu in the host metal Sm. The results are g ( 145 Eu) = + 1.356 + 0.008 g ( 147 Eu) = + 1.28 +- 0.01. The temperature dependence of the paramagnetic correction β obeys a Curie-Weiss law β = 1 + C/CT-, with C = -(50 +- 2) K and THETA = -(29 +- 5) K between 90 K and 1000 K, for both systems, 145 EU Sm and 147 Eu Sm. For room temperature the quadrupole coupling constant νsub(Q) is determined for 145 Eu Sm for the 1 1/2 - state: νsub(Q) = (12.5 +- 0.5) MHz and the paramagnetic relaxation time tausub(p) >= 1 μs. The g values are investigated also theoretically. (BHO)

Intrinsic Paramagnetic Meissner Effect Due to s-Wave Odd-Frequency Superconductivity

Directory of Open Access Journals (Sweden)

A. Di Bernardo

2015-11-01

Full Text Available In 1933, Meissner and Ochsenfeld reported the expulsion of magnetic flux—the diamagnetic Meissner effect—from the interior of superconducting lead. This discovery was crucial in formulating the Bardeen-Cooper-Schrieffer (BCS theory of superconductivity. In exotic superconducting systems BCS theory does not strictly apply. A classical example is a superconductor-magnet hybrid system where magnetic ordering breaks time-reversal symmetry of the superconducting condensate and results in the stabilization of an odd-frequency superconducting state. It has been predicted that under appropriate conditions, odd-frequency superconductivity should manifest in the Meissner state as fluctuations in the sign of the magnetic susceptibility, meaning that the superconductivity can either repel (diamagnetic or attract (paramagnetic external magnetic flux. Here, we report local probe measurements of faint magnetic fields in a Au/Ho/Nb trilayer system using low-energy muons, where antiferromagnetic Ho (4.5 nm breaks time-reversal symmetry of the proximity-induced pair correlations in Au. From depth-resolved measurements below the superconducting transition of Nb, we observe a local enhancement of the magnetic field in Au that exceeds the externally applied field, thus proving the existence of an intrinsic paramagnetic Meissner effect arising from an odd-frequency superconducting state.

Thermodynamically consistent mesoscopic model of the ferro/paramagnetic transition

Czech Academy of Sciences Publication Activity Database

Benešová, Barbora; Kružík, Martin; Roubíček, Tomáš

2013-01-01

Roč. 64, Č. 1 (2013), s. 1-28 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GA106/09/1573; GA ČR GAP201/10/0357 Grant - others:GA ČR(CZ) GA106/08/1397; GA MŠk(CZ) LC06052 Program:GA; LC Institutional support: RVO:67985556 Keywords : ferro-para-magnetism * evolution * thermodynamics Subject RIV: BA - General Mathematics; BA - General Mathematics (UT-L) Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-thermodynamically consistent mesoscopic model of the ferro-paramagnetic transition.pdf

Electron paramagnetic resonance spectrum of fresh fruits processed by gamma-rays

International Nuclear Information System (INIS)

Jesus, E.F.O. de; Lopes, R.T.

1999-01-01

Pulp of irradiated kiwi fruits, after extraction by ethyl alcohol of part of the water and sugars, has been analyzed by electron paramagnetic resonance in order to study the possibility of identifying irradiated fruits. The results allow to confirm that for a period of approximately 12 weeks a triplet with a coupling isotropic constant of 3.05 mT, intensity ratio 1:2:1 and a factor g=2,0026 is visible in irradiated fruits

Redox-dependent conformational changes in eukaryotic cytochromes revealed by paramagnetic NMR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Volkov, Alexander N.; Vanwetswinkel, Sophie; Van de Water, Karen; Nuland, Nico A. J. van, E-mail: nvnuland@vub.ac.be [Vrije Universiteit Brussel, Jean Jeener NMR Centre, Structural Biology Brussels (Belgium)

2012-03-15

Cytochrome c (Cc) is a soluble electron carrier protein, transferring reducing equivalents between Cc reductase and Cc oxidase in eukaryotes. In this work, we assessed the structural differences between reduced and oxidized Cc in solution by paramagnetic NMR spectroscopy. First, we have obtained nearly-complete backbone NMR resonance assignments for iso-1-yeast Cc and horse Cc in both oxidation states. These were further used to derive pseudocontact shifts (PCSs) arising from the paramagnetic haem group. Then, an extensive dataset comprising over 450 measured PCSs and high-resolution X-ray and solution NMR structures of both proteins were used to define the anisotropic magnetic susceptibility tensor, {Delta}{chi}. For most nuclei, the PCSs back-calculated from the {Delta}{chi} tensor are in excellent agreement with the experimental PCS values. However, several contiguous stretches-clustered around G41, N52, and A81-exhibit large deviations both in yeast and horse Cc. This behaviour is indicative of redox-dependent structural changes, the extent of which is likely conserved in the protein family. We propose that the observed discrepancies arise from the changes in protein dynamics and discuss possible functional implications.

Redox-dependent conformational changes in eukaryotic cytochromes revealed by paramagnetic NMR spectroscopy

International Nuclear Information System (INIS)

Volkov, Alexander N.; Vanwetswinkel, Sophie; Van de Water, Karen; Nuland, Nico A. J. van

2012-01-01

Cytochrome c (Cc) is a soluble electron carrier protein, transferring reducing equivalents between Cc reductase and Cc oxidase in eukaryotes. In this work, we assessed the structural differences between reduced and oxidized Cc in solution by paramagnetic NMR spectroscopy. First, we have obtained nearly-complete backbone NMR resonance assignments for iso-1-yeast Cc and horse Cc in both oxidation states. These were further used to derive pseudocontact shifts (PCSs) arising from the paramagnetic haem group. Then, an extensive dataset comprising over 450 measured PCSs and high-resolution X-ray and solution NMR structures of both proteins were used to define the anisotropic magnetic susceptibility tensor, Δχ. For most nuclei, the PCSs back-calculated from the Δχ tensor are in excellent agreement with the experimental PCS values. However, several contiguous stretches—clustered around G41, N52, and A81—exhibit large deviations both in yeast and horse Cc. This behaviour is indicative of redox-dependent structural changes, the extent of which is likely conserved in the protein family. We propose that the observed discrepancies arise from the changes in protein dynamics and discuss possible functional implications.

Upper critical fields in Ba2Ti2Fe2As4O single crystals: Evidence for dominant Pauli paramagnetic effect

Science.gov (United States)

Abdel-Hafiez, M.; Brisbois, J.; Zhu, Z.; Adamski, A.; Hassen, A.; Vasiliev, A. N.; Silhanek, A. V.; Krellner, C.

2018-03-01

We report on magneto-optical imaging and the temperature dependency of the upper critical fields Hc2 c(T ) parallel to the c axis and Hc2 a b(T ) parallel to the a b plane in Ba2Ti2Fe2As4O single crystals. These data were inferred from the measurements of the temperature-dependent resistance in static magnetic fields up to 14 T and magnetoresistance in pulsed fields up to 60 T. Hc 2 values are found to be 52 and 50 T for H ∥a b and H ∥c , respectively. These values are 1.2-1.35 times larger than the weak-coupling Pauli paramagnetic limit (Hp˜1.84 Tc ), indicating that enhanced paramagnetic limiting is essential and this superconductor is unconventional. Our observations of strong bending in the Hc2 a b(T ) curves and a nearly isotropic maximum upper critical field Hc2 a b(0 ) ≈Hc2 c(0 ) support the presence of a strong Pauli paramagnetic effect. We show that the Werthamer-Helfand-Hohenberg (WHH) formula that includes the spin-orbit scattering can effectively describe the Hc2 a b(T ) curve, whereas Hc 2 deviates from the conventional WHH theoretical model without considering the spin paramagnetic effect for the H ∥c and H ∥a b directions. For H ∥c , a two-band model is required to fully reproduce the behavior of Hc 2, while for H ∥a b the spin paramagnetic effect is responsible for the behavior of Hc 2. The anisotropy of Hc 2 is close to 3 near Tc and decreases rapidly at lower temperatures.

Pauli paramagnetic effects on vortices in superconducting TmNi2B2C

DEFF Research Database (Denmark)

DeBeer-Schmitt, L.; Eskildsen, Morten Ring; Ichioka, M.

2007-01-01

The magnetic field distribution around the vortices in TmNi2B2C in the paramagnetic phase was studied experimentally as well as theoretically. The vortex form factor, measured by small-angle neutron scattering, is found to be field independent up to 0.6H(c2) followed by a sharp decrease at higher...

Contribution of electron paramagnetic resonance to the studies of hemoglobin: the nitrosylhemoglobin system

International Nuclear Information System (INIS)

Bemski, G.

1995-03-01

Since the initial work of Ingram Electron Paramagnetic Resonance contributed considerably to research in hemoglobins. Now, 40 years later some of the results of the application of EPR to nitrosyl hemoglobin (HbNO), are reviewed as an example of the diversity of information which this technique can provide are reviewed. (author). 34 refs, 7 figs

Electron Paramagnetic Resonance and X-ray Diffraction of Boron- and Phosphorus-Doped Nanodiamonds

Science.gov (United States)

Binh, Nguyen Thi Thanh; Dolmatov, V. Yu.; Lapchuk, N. M.; Shymanski, V. I.

2017-11-01

Powders of boron- and phosphorus-doped detonation nanodiamonds and sintered pellets of non-doped nanodiamond powders were studied using electron paramagnetic resonance and x-ray diffraction. Doping of detonation nanodiamond crystals with boron and phosphorus was demonstrated to be possible. These methods could be used to diagnose diamond nanocrystals doped during shock-wave synthesis.

Ferromagnetic and paramagnetic magnetization of implanted GaN:Ho,Tb,Sm,Tm films

Energy Technology Data Exchange (ETDEWEB)

Maryško, M., E-mail: marysko@fzu.cz; Hejtmánek, J.; Laguta, V. [Institute of Physics of ASCR v.v.i., Cukrovarnická 10, 162 00 Prague 6 (Czech Republic); Sofer, Z.; Sedmidubský, D.; Šimek, P.; Veselý, M. [Department of Inorganic Chemistry, Institute of Chemical Technology, 166 28 Prague 6 (Czech Republic); Mikulics, M. [Peter Grünberg Institut, PGI-9, Forschung Centrum, Jülich D-52425 (Germany); JARA, Fundamentals of Future Information Technology, D52425 Jülich (Germany); Buchal, C. [Peter Grünberg Institut, PGI-9, Forschung Centrum, Jülich D-52425 (Germany); Macková, A.; Malínský, P. [Nuclear Physics Institute of the ASCR v.v.i., 250 68 Řež (Czech Republic); Department of Physics, Faculty of Science, J.E.Purkinje University, České mládeže, 400 96 Ústí nad Labem (Czech Republic); Wilhelm, R. A. [Helmholtz-Zentrum Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, Dresden (Germany); Technische Universität Dresden, 01062 Dresden (Germany)

2015-05-07

The SQUID magnetic measurements were performed on the GaN films prepared by metal-organic vapour phase epitaxy and implanted by Tb{sup 3+}, Tm{sup 3+}, Sm{sup 3+}, and Ho{sup 3+} ions. The sapphire substrate was checked by the electron paramagnetic resonance method which showed a content of Cr{sup 3+} and Fe{sup 3+} impurities. The samples 5 × 5 mm{sup 2} were positioned in the classical straws and within an estimated accuracy of 10{sup −6 }emu, no ferromagnetic moment was detected in the temperature region of 2–300 K. The paramagnetic magnetization was studied for parallel and perpendicular orientation. In the case of GaN:Tb sample, at T = 2 K, a pronounced anisotropy with the easy axis perpendicular to the film was observed which can be explained by the lowest quasi-doublet state of the non-Kramers Tb{sup 3+} ion. The Weiss temperature deduced from the susceptibility data using the Curie-Weiss (C-W) law was found to depend substantially on the magnetic field.

Electron Paramagnetic Resonance of a Single NV Nanodiamond Attached to an Individual Biomolecule.

Science.gov (United States)

Teeling-Smith, Richelle M; Jung, Young Woo; Scozzaro, Nicolas; Cardellino, Jeremy; Rampersaud, Isaac; North, Justin A; Šimon, Marek; Bhallamudi, Vidya P; Rampersaud, Arfaan; Johnston-Halperin, Ezekiel; Poirier, Michael G; Hammel, P Chris

2016-05-10

Electron paramagnetic resonance (EPR), an established and powerful methodology for studying atomic-scale biomolecular structure and dynamics, typically requires in excess of 10(12) labeled biomolecules. Single-molecule measurements provide improved insights into heterogeneous behaviors that can be masked in ensemble measurements and are often essential for illuminating the molecular mechanisms behind the function of a biomolecule. Here, we report EPR measurements of a single labeled biomolecule. We selectively label an individual double-stranded DNA molecule with a single nanodiamond containing nitrogen-vacancy centers, and optically detect the paramagnetic resonance of nitrogen-vacancy spins in the nanodiamond probe. Analysis of the spectrum reveals that the nanodiamond probe has complete rotational freedom and that the characteristic timescale for reorientation of the nanodiamond probe is slow compared with the transverse spin relaxation time. This demonstration of EPR spectroscopy of a single nanodiamond-labeled DNA provides the foundation for the development of single-molecule magnetic resonance studies of complex biomolecular systems. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Initial deposition and electron paramagnetic resonance defects characterization of TiO2 films prepared using successive ionic layer adsorption and reaction method

International Nuclear Information System (INIS)

Wu Yiyong; Shi Yaping; Xu Xianbin; Sun Chengyue

2012-01-01

Successive ionic layer adsorption and reaction (SILAR) technique was considered promisingly to deposit ultra thin titanium dioxide (TiO 2 ) films under ambient condition. In this paper, the growth process, structures and paramagnetic defects of the films were characterized by complementary techniques of atomic force microscopy, X-ray photoelectron spectroscopy, Raman spectroscopy and electron paramagnetic resonance spectroscopy. The results indicate that on glass substrate the SILAR TiO 2 film nucleates in an island mode within the initial five deposition cycles but grows in a layer-by-layer mode afterwards. The growth rate was measured as 4.6 Å/cycle. In the as-deposited films, a kind of paramagnetic defects is detected at g (2.0029) and it can be attributed to oxygen vacancies. These as-received oxygen vacancies could be annealed out at 473 K. Ultraviolet irradiation on the as-deposited films can also decrease the density of the defects. The relative mechanisms on the phenomenon were discussed in this paper. - Highlights: ► TiO 2 films are deposited on glass at 25 °C by successive ionic layer adsorption and reaction method with a rate of 4.6 Å/cycle. ► The films nucleate in an island mode initially but grow in a layer mode afterwards. ► The SILAR TiO 2 films nucleation period is five cycles. ► Electron paramagnetic resonance spectroscopy shows that TiO 2 films paramagnetic defects are attributed to oxygen vacancies. ► They will decrease by anneal or ultraviolet radiation and form hydroxyl or superoxide radicals.

Paramagnetic properties of the low- and high-spin states of yeast cytochrome c peroxidase

International Nuclear Information System (INIS)

Vanwetswinkel, Sophie; Nuland, Nico A. J. van; Volkov, Alexander N.

2013-01-01

Here we describe paramagnetic NMR analysis of the low- and high-spin forms of yeast cytochrome c peroxidase (CcP), a 34 kDa heme enzyme involved in hydroperoxide reduction in mitochondria. Starting from the assigned NMR spectra of a low-spin CN-bound CcP and using a strategy based on paramagnetic pseudocontact shifts, we have obtained backbone resonance assignments for the diamagnetic, iron-free protein and the high-spin, resting-state enzyme. The derived chemical shifts were further used to determine low- and high-spin magnetic susceptibility tensors and the zero-field splitting constant (D) for the high-spin CcP. The D value indicates that the latter contains a hexacoordinate heme species with a weak field ligand, such as water, in the axial position. Being one of the very few high-spin heme proteins analyzed in this fashion, the resting state CcP expands our knowledge of the heme coordination chemistry in biological systems

Paramagnetic properties of the low- and high-spin states of yeast cytochrome c peroxidase

Energy Technology Data Exchange (ETDEWEB)

Vanwetswinkel, Sophie; Nuland, Nico A. J. van; Volkov, Alexander N., E-mail: ovolkov@vub.ac.be [Vrije Universiteit Brussel, Jean Jeener NMR Centre, Structural Biology Brussels (Belgium)

2013-09-15

Here we describe paramagnetic NMR analysis of the low- and high-spin forms of yeast cytochrome c peroxidase (CcP), a 34 kDa heme enzyme involved in hydroperoxide reduction in mitochondria. Starting from the assigned NMR spectra of a low-spin CN-bound CcP and using a strategy based on paramagnetic pseudocontact shifts, we have obtained backbone resonance assignments for the diamagnetic, iron-free protein and the high-spin, resting-state enzyme. The derived chemical shifts were further used to determine low- and high-spin magnetic susceptibility tensors and the zero-field splitting constant (D) for the high-spin CcP. The D value indicates that the latter contains a hexacoordinate heme species with a weak field ligand, such as water, in the axial position. Being one of the very few high-spin heme proteins analyzed in this fashion, the resting state CcP expands our knowledge of the heme coordination chemistry in biological systems.

Contribution to the study of electron paramagnetic resonance and relaxation

International Nuclear Information System (INIS)

Theobald, Jean-Gerard

1962-01-01

This research thesis reports an experimental work which comprises the development of a very practical and very sensitive electron paramagnetic resonance spectrometer, and the use of this equipment for the study of irradiated substances and carbons. By studying electronic resonance signals by fast modulation of the magnetic field, the author studied phenomena of quick passage in electronic resonance, and showed that the study of these phenomena requires observation systems with a particularly large bandwidth. He reports the measurement of the line width of packs of spins of inhomogeneous lines by two different methods [fr

Functional behavior of the anomalous magnetic relaxation observed in melt-textured YBa{sub 2}Cu{sub 3}O{sub 7-δ} samples showing the paramagnetic Meissner effect

Energy Technology Data Exchange (ETDEWEB)

Dias, F.T., E-mail: fabio.dias@ufpel.edu.br [Instituto de Física e Matemática, Universidade Federal de Pelotas, Caixa Postal 354, 96010-900, Pelotas, Rio Grande do Sul (Brazil); Vieira, V.N.; Garcia, E.L. [Instituto de Física e Matemática, Universidade Federal de Pelotas, Caixa Postal 354, 96010-900, Pelotas, Rio Grande do Sul (Brazil); Wolff-Fabris, F.; Kampert, E. [Dresden High Magnetic Field Laboratory, Helmholtz-Zentrum Dresden-Rossendorf, 01314, Dresden (Germany); Gouvêa, C.P. [National Institute of Metrology, Quality and Technology (Inmetro), Material Metrology Division, 25250-020, Duque de Caxias, Rio de Janeiro (Brazil); Schaf, J. [Instituto de Física, Universidade Federal do Rio Grande do Sul, 91501-970, Porto Alegre, Rio Grande do Sul (Brazil); Obradors, X.; Puig, T. [Institut de Ciència de Materials de Barcelona, CSIC, Universitat Autònoma de Barcelona, 08193, Bellaterra (Spain); Roa, J.J. [Departamento de Ciencia de Materiales e Ingeniería Metalúrgica, Universitat Politècnica de Catalunya, 08028, Barcelona (Spain)

2016-10-15

Highlights: • Paramagnetic Meissner effect observed up to 5T in FCC and FCW measurements. • Time effects evidenced by irreversibilities between FCC and FCW measurements. • Strong time effects causing an anomalous paramagnetic relaxation. • Paramagnetic relaxation governed by different flux dynamics in different intervals. • An interpretative analysis to identify the flux dynamics in the relaxation process. - Abstract: We have studied the functional behavior of the field-cooled (FC) magnetic relaxation observed in melt-textured YBa{sub 2}Cu{sub 3}O{sub 7-δ} (Y123) samples with 30 wt% of Y{sub 2}Ba{sub 1}Cu{sub 1}O{sub 5} (Y211) phase, in order to investigate anomalous paramagnetic moments observed during the experiments. FC magnetic relaxation experiments were performed under controlled conditions, such as cooling rate and temperature. Magnetic fields up to 5T were applied parallel to the ab plane and along the c-axis. Our results are associated with the paramagnetic Meissner effect (PME), characterized by positive moments during FC experiments, and related to the magnetic flux compression into the samples. After different attempts our experimental data could be adequately fitted by an exponential decay function with different relaxation times. We discuss our results suggesting the existence of different and preferential flux dynamics governing the anomalous FC paramagnetic relaxation in different time intervals. This work is one of the first attempts to interpret this controversial effect in a simple analysis of the pinning mechanisms and flux dynamics acting during the time evolution of the magnetic moment. However, the results may be useful to develop models to explain this interesting and still misunderstood feature of the paramagnetic Meissner effect.

Redox-mediated dissolution of paramagnetic nanolids to achieve a smart theranostic system

Science.gov (United States)

Wang, Aifei; Guo, Mingyi; Wang, Nan; Zhao, Jianyun; Qi, Wenxiu; Muhammad, Faheem; Chen, Liang; Guo, Yingjie; Nguyen, Nam-Trung; Zhu, Guangshan

2014-04-01

Manganese oxide (Mn3O4) nanoparticles have recently emerged as a promising T1 contrast agent. In this study, for the first time, we demonstrated an interaction of Mn3O4 with a biological system, and found redox sensitive behavior of these paramagnetic nanoparticles in intracellular reducing environment. Inspired by these findings, we for the first time used this interaction for some therapeutic advantages and designed a versatile mesoporous silica based nanotheranostic system to realize redox-activated enhanced magnetic resonance imaging and responsive anticancer drug delivery. Contrary to previous reports, we firstly prepared high quality amine terminated hydrophilic Mn3O4 nanolids, without using multistep ligand exchange strategies. The resulting water stable and small-sized Mn3O4 nanolids were subsequently used as nanolids to cap drug loaded nanochannels of a porous carrier. Exposure to highly prevalent intracellular reducing environment resulted in the steady-state dissolution of these nanolids and attained an intelligent drug release. Furthermore, the redox receptive dissolution of paramagnetic Mn3O4 nanolids into Mn2+ in turn increases the T1 signal to twofold, providing an added opportunity to even track the feedback of therapy. This study, in addition to simultaneously realizing drug delivery and imaging, also provides a new insight into the fate and interaction of manganese oxide nanoparticles with components of biological systems.Manganese oxide (Mn3O4) nanoparticles have recently emerged as a promising T1 contrast agent. In this study, for the first time, we demonstrated an interaction of Mn3O4 with a biological system, and found redox sensitive behavior of these paramagnetic nanoparticles in intracellular reducing environment. Inspired by these findings, we for the first time used this interaction for some therapeutic advantages and designed a versatile mesoporous silica based nanotheranostic system to realize redox-activated enhanced magnetic resonance

Sensitivity and Resolution Enhanced Solid-State NMR for Paramagnetic Systems and Biomolecules under Very Fast Magic Angle Spinning

KAUST Repository

Parthasarathy, Sudhakar

2013-09-17

Recent research in fast magic angle spinning (MAS) methods has drastically improved the resolution and sensitivity of NMR spectroscopy of biomolecules and materials in solids. In this Account, we summarize recent and ongoing developments in this area by presenting (13)C and (1)H solid-state NMR (SSNMR) studies on paramagnetic systems and biomolecules under fast MAS from our laboratories. First, we describe how very fast MAS (VFMAS) at the spinning speed of at least 20 kHz allows us to overcome major difficulties in (1)H and (13)C high-resolution SSNMR of paramagnetic systems. As a result, we can enhance both sensitivity and resolution by up to a few orders of magnitude. Using fast recycling (∼ms/scan) with short (1)H T1 values, we can perform (1)H SSNMR microanalysis of paramagnetic systems on the microgram scale with greatly improved sensitivity over that observed for diamagnetic systems. Second, we discuss how VFMAS at a spinning speed greater than ∼40 kHz can enhance the sensitivity and resolution of (13)C biomolecular SSNMR measurements. Low-power (1)H decoupling schemes under VFMAS offer excellent spectral resolution for (13)C SSNMR by nominal (1)H RF irradiation at ∼10 kHz. By combining the VFMAS approach with enhanced (1)H T1 relaxation by paramagnetic doping, we can achieve extremely fast recycling in modern biomolecular SSNMR experiments. Experiments with (13)C-labeled ubiquitin doped with 10 mM Cu-EDTA demonstrate how effectively this new approach, called paramagnetic assisted condensed data collection (PACC), enhances the sensitivity. Lastly, we examine (13)C SSNMR measurements for biomolecules under faster MAS at a higher field. Our preliminary (13)C SSNMR data of Aβ amyloid fibrils and GB1 microcrystals acquired at (1)H NMR frequencies of 750-800 MHz suggest that the combined use of the PACC approach and ultrahigh fields could allow for routine multidimensional SSNMR analyses of proteins at the 50-200 nmol level. Also, we briefly discuss the

Optical and paramagnetic properties of Ti in LiF

International Nuclear Information System (INIS)

Krystek, M.

1982-01-01

Titanium replaces substitutionally Li + at its lattice site in LiF. The resulting deep impurity must be understood as TiF 6 -cluster. The symmetry of this cluster is octahedral in the case of the unoccupied impurity. If the impurity will be occupied by an electron, a trigonal distortion of the cluster results, whereby the orbital degeneracy of the ground state will be liftet. Since the occupied impurity is paramagnetic, the symmetry reduction could be proved by ENDOR measurements. Using a calculated term diagram of the impurity inside the crystal a model is offered to explain the photoluminescence and the thermoluminescence of LiF:Ti. (orig./HP) [de

Multi-photon Rabi oscillations in high spin paramagnetic impurity

International Nuclear Information System (INIS)

Bertaina, S; Groll, N; Chen, L; Chiorescu, I

2011-01-01

We report on multiple photon monochromatic quantum oscillations (Rabi oscillations) observed by pulsed EPR (Electron Paramagnetic Resonance) of Mn 2+ (S = 5/2) impurities in MgO. We find that when the microwave magnetic field is similar or large than the anisotropy splitting, the Rabi oscillations have a spectrum made of many frequencies not predicted by the S = l/2 Rabi model. We show that these new frequencies come from multiple photon coherent manipulation of the multi-level spin impurity. We develop a model based on the crystal field theory and the rotating frame approximation, describing the observed phenomenon with a very good agreement.

Magnon Spin Hall Magnetoresistance of a Gapped Quantum Paramagnet

Science.gov (United States)

Ulloa, Camilo; Duine, R. A.

2018-04-01

Motivated by recent experimental work, we consider spin transport between a normal metal and a gapped quantum paramagnet. We model the latter as the magnonic Mott-insulating phase of an easy-plane ferromagnetic insulator. We evaluate the spin current mediated by the interface exchange coupling between the ferromagnet and the adjacent normal metal. For the strongly interacting magnons that we consider, this spin current gives rise to a spin Hall magnetoresistance that strongly depends on the magnitude of the magnetic field, rather than its direction. This Letter may motivate electrical detection of the phases of quantum magnets and the incorporation of such materials into spintronic devices.

Electron paramagnetic resonance investigation of polycrystalline CaCu{sub 3}Ti{sub 4}O{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Mozzati, Maria Cristina [INFM-Dipartimento di Fisica ' Alessandro Volta' , Universita di Pavia, via Bassi 6, I-27100 Pavia (Italy); Azzoni, Carlo Bruno [INFM-Dipartimento di Fisica ' Alessandro Volta' , Universita di Pavia, via Bassi 6, I-27100 Pavia (Italy); Capsoni, Doretta [Dipartimento di Chimica Fisica ' Mario Rolla' , Universita di Pavia and IENI-CNR, Sezione di Pavia, viale Taramelli 16, I-27100 Pavia (Italy); Bini, Marcella [Dipartimento di Chimica Fisica ' Mario Rolla' , Universita di Pavia and IENI-CNR, Sezione di Pavia, viale Taramelli 16, I-27100 Pavia (Italy); Massarotti, Vincenzo [Dipartimento di Chimica Fisica ' Mario Rolla' , Universita di Pavia and IENI-CNR, Sezione di Pavia, viale Taramelli 16, I-27100 Pavia (Italy)

2003-11-05

Electron paramagnetic resonance (EPR) measurements on pure polycrystalline CaCu{sub 3}Ti{sub 4}O{sub 12} have been performed and are discussed within a crystal-field approach. A symmetric signal centred at g = 2.15 is observed for T>25 K, with no evidence of hyperfine structure. At this temperature an antiferromagnetic transition is observed as confirmed by static magnetization data. Cu defective and 2% doped (V, Cr, Mn, La) samples were also prepared and considered, mainly to understand the nature of the observed paramagnetic centre. Substitutions in the octahedral sites, causing variations of the configuration in CuO{sub 4}-TiO{sub 6}-CuO{sub 4} complexes, change the magnetic and EPR features. To justify the EPR response a strong copper-hole delocalization is suggested.

Clean bulk YBaCuO superconductors doped by paramagnetic ions of Sm and Yb

Czech Academy of Sciences Publication Activity Database

Jirsa, Miloš; Volochová, D.; Kováč, J.; Diko, P.

2017-01-01

Roč. 131, č. 4 (2017), s. 1027-1029 ISSN 0587-4246 Institutional support: RVO:68378271 Keywords : YBaCuO * bulk superconductors * paramagnetic ions * microstructure * vortex pinning Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 0.469, year: 2016

Paramagnetic centers in AlQ3

International Nuclear Information System (INIS)

Grecu, M. N.; Mirea, A.; Schwoerer, M.; Grecu, V. V.

2004-01-01

Since the discovery in 1987 of its electroluminescent properties, Alq 3 (tris(8-hydroxyquinoline)aluminum(III)) has become one of the most used material in OLEDs (organic light-emitting diodes). Many researches have been carried out for improving its quantum efficiency of light emission. In spite of these, rather many fundamental questions concerning its properties, their dependence on thermal and annealing treatments and crystalline structure remained unanswered. Recently, a significant blue shift of luminescent spectrum of a specially treated fraction (so called δ-phase) has been reported, increasing even more the interest in such a material. In this contribution we shall report on the existence of paramagnetic centers in different Alq 3 fractions formed by using the train sublimation method, as well as in those which have undergone various thermal treatments. Several centers have been observed by cw X- and Q-band EPR spectroscopy, corresponding to spin 1/2 and even spin 3/2. The spin Hamiltonian parameters are given, the temperature dependencies are reported and proposals for model structures are made. (author)

Viscosity of bound water and model of proton relaxation in fine-dispersed substances at the presence of adsorbed paramagnetic ions

International Nuclear Information System (INIS)

Fedodeev, V.I.

1975-01-01

A microviscosity model of proton relaxation in pure liquids and in solutions of paramagnetic ions is examined. It is shown that the influence of adsorbed paramagnetic centers on proton relaxation in finely dispersed substances is significantly weaker than in solutions. A 'two-phase' relaxation model is used in determining the parameters of the bound liquid (water) using nuclear magnetic resonance data. The relations obtained with the model are used to compute the viscosity of water in clay. The value is of the same order of magnitude as that obtained by other methods

Viscosity of bound water and model of proton relaxation in fine-dispersed substances at the presence of adsorbed paramagnetic ions

Energy Technology Data Exchange (ETDEWEB)

Fedodeev, V I

1975-09-01

A microviscosity model of proton relaxation in pure liquids and in solutions of paramagnetic ions is examined. It is shown that the influence of adsorbed paramagnetic centers on proton relaxation in finely dispersed substances is significantly weaker than in solutions. A 'two-phase' relaxation model is used in determining the parameters of the bound liquid (water) using nuclear magnetic resonance data. The relations obtained with the model are used to compute the viscosity of water in clay. The value is of the same order of magnitude as that obtained by other methods.

Paramagnetic susceptibility of the Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} metallic glass subjected to high-pressure torsion deformation

Energy Technology Data Exchange (ETDEWEB)

Korolev, A.V., E-mail: korolyov@imp.uran.ru [Institute of Metal Physics of the Ural Branch RAS, Ekaterinburg (Russian Federation); Ural Federal University, Ekaterinburg (Russian Federation); Kourov, N.I. [Institute of Metal Physics of the Ural Branch RAS, Ekaterinburg (Russian Federation); Pushin, V.G. [Institute of Metal Physics of the Ural Branch RAS, Ekaterinburg (Russian Federation); Ural Federal University, Ekaterinburg (Russian Federation); Gunderov, D.V. [Saint-Petersburg State University, Saint-Petersburg (Russian Federation); Ufa State Aviation Technical University, Ufa (Russian Federation); Boltynjuk, E.V.; Ubyivovk, E.V. [Saint-Petersburg State University, Saint-Petersburg (Russian Federation); Valiev, R.Z. [Saint-Petersburg State University, Saint-Petersburg (Russian Federation); Ufa State Aviation Technical University, Ufa (Russian Federation)

2017-09-01

Highlights: • Zr-based BMG was subjected to HPT at temperatures of 20 °C and 150 °C. • Magnetic measurements reveal well recordable changes in paramagnetic susceptibility. • Paramagnetic susceptibility may be an indicator of a change in the structural state. - Abstract: The Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} bulk metallic glass is studied in the as-cast state and in the state after processing by high-pressure torsion at temperatures of 20 °C and 150 °C. According to the data from X-ray diffraction and transmission electron microscopy, the structural state of the samples depends weakly on the conducted processing. At the same time, magnetic measurements reveal well recordable changes in paramagnetic susceptibility induced by the processing of the samples. It is assumed that, because of high-pressure torsion deformation, there occurs a noticeable change in the material electronic structure, which leads to a change in the full susceptibility of the samples. The performed studies demonstrate that paramagnetic susceptibility may be an indicator of a change in the structural state of paramagnetic amorphous metallic substances.

Solid-state NMR paramagnetic relaxation enhancement immersion depth studies in phospholipid bilayers

KAUST Repository

Chu, Shidong

2010-11-01

A new approach for determining the membrane immersion depth of a spin-labeled probe has been developed using paramagnetic relaxation enhancement (PRE) in solid-state NMR spectroscopy. A DOXYL spin label was placed at different sites of 1-palmitoyl-2-stearoyl-sn-glycero-3-phosphocholine (PSPC) phospholipid bilayers as paramagnetic moieties and the resulting enhancements of the longitudinal relaxation (T1) times of 31P nuclei on the surface of the bilayers were measured by a standard inversion recovery pulse sequence. The 31P NMR spin-lattice relaxation times decrease steadily as the DOXYL spin label moves closer to the surface as well as the concentration of the spin-labeled lipids increase. The enhanced relaxation vs. the position and concentration of spin-labels indicate that PRE induced by the DOXYL spin label are significant to determine longer distances over the whole range of the membrane depths. When these data were combined with estimated correlation times τc, the r-6-weighted, time-averaged distances between the spin-labels and the 31P nuclei on the membrane surface were estimated. The application of using this solid-state NMR PRE approach coupled with site-directed spin labeling (SDSL) may be a powerful method for measuring membrane protein immersion depth. © 2010 Elsevier Inc. All rights reserved.

Magnetic refrigeration apparatus with belt of ferro or paramagnetic material

Science.gov (United States)

Barclay, John A.; Stewart, Walter F.; Henke, Michael D.; Kalash, Kenneth E.

1987-01-01

A magnetic refrigerator operating in the 12 to 77K range utilizes a belt which carries ferromagnetic or paramagnetic material and which is disposed in a loop which passes through the center of a solenoidal magnet to achieve cooling. The magnetic material carried by the belt, which can be blocks in frames of a linked belt, can be a mixture of substances with different Curie temperatures arranged such that the Curie temperatures progressively increase from one edge of the belt to the other. This magnetic refrigerator can be used to cool and liquefy hydrogen or other fluids.

Moessbauer effect and electron paramagnetic resonance studies on yeast aconitase

International Nuclear Information System (INIS)

Suzuki, Takashi; Maeda, Yutaka; Sakai, Hiroshi; Fujimoto, Shigeru; Morita, Yuhei.

1975-01-01

The Moessbauer effect and electron paramagnetic resonance (EPR) of yeast aconitase [EC 4.2.1.3] purified from the cells of Candida lipolytica (ATCC 20114) were measured. Moessbauer spectra suggested that yeast acontitase mostly contained two high-spin Fe(III) ions in an antiferromagnetically coupled binuclear complex that resembled oxidized 2 Fe ferredoxins, together with a small amount of high-spin Fe(II). EPR spectra recorded no signal at 77 0 K, but showed a slightly asymmetric signal centered at g=2.0 at 4.2 0 K, presumably due to the small amount of Fe(II) Fe(III) pairs. (auth.)

On the dose-rate effect of ionizing radiations on the initial radiation-chemical yield of paramagnetic centers upon low-temperature radiolysis of n-heptane

International Nuclear Information System (INIS)

Mozhaev, P.S.; Kiryukhin, D.P.; Kuzina, S.I.

1995-01-01

In this work the authors report on an experimental study of the initial regions of dose dependence of paramagnetic centers in n-heptane upon varying the dose rate from 0.035 to 2.3 x 10 3 Gy/s. The buildup at 77 K of paramagnetic centers in n-heptane was studied in outgassed samples placed in Luch-2 glass cells

Electron paramagnetic resonance study of copper impurity charge-states in PbWO.sub.4./sub. scintillator

Czech Academy of Sciences Publication Activity Database

Hofstaetter, A.; Laguta, V. V.; Meyer, B.K.; Nikl, Martin; Rosa, Jan; Zhu, R.Y.

2004-01-01

Roč. 38, - (2004), s. 703-706 ISSN 1350-4487 R&D Projects: GA AV ČR(CZ) KSK1010104 Keywords : electron paramagnetic resonance * tungstates * defects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.664, year: 2004

Electron paramagnetic resonance investigations of Fe3+ doped layered TiInS2 and TiGaSe2 single crystals

International Nuclear Information System (INIS)

Faik, Mikailov; Bulat, Rameev; Sinan, Kazan; Bekir, Aktash; Faik, Mikailov; Bulat, Rameev

2005-01-01

Full text : TiInS 2 and TiGaSe 2 single crystals doped by paramagnetic Fe ions have been studied at room temperature by Electron Paramagnetic Resonance (EPR) technique. A fine structure of EPR spectra of paramagnetic Fe 3 + ions was observed. The spectra were interpreted to correspond to the transitions among spin multiplet which are splitted by the local ligand crystal field (CF) of orthorhombic symmetry. Four equivalent Fe 3 + centers have been observed in the EPR spectra and the local symmetry of crystal field at the Fe 3 + site and CF parameters were determined. It was established that symmetry axis of the axial component in the CF is making an angle of about 48 and 43 degree with the plane of layers of TiInS 2 and TiGaSe 2 crystals respectively. Experimental results indicate that the Fe ions substitute In (GA) at the center of InS 4 (GaSe 4 ) tetrahedrons, and the rhombic distortion of the CF is caused by the TI ions located in the trigonal cavities between the tethedral complexes

Moessbauer studies on the paramagnetic porton of alkidirat meteorite

International Nuclear Information System (INIS)

Kamal, Huda Mohamed

1995-11-01

This work was performed on a sample from alkidirat meteorite which fell west of Sudan by means of Moessbauer effect spectrometer. results showed the absence of transition temperature from the paramagnetic state to the magnetic state in the temperature range from 300K down to 16K. Also, it was found that olivine and ortho pyroxene exist together in site M 1 , while clinothyroxene exists alone in site M 2 . Formula for the composition of ortho pyroxene in the sample were also obtained and they were in good agreement with previous studies. The disorder parameter was also calculated and it showed that the pyroxene present in the sample is well-ordered.(Author)

Isolation of EPR spectra and estimation of spin-states in two-component mixtures of paramagnets.

Science.gov (United States)

Chabbra, Sonia; Smith, David M; Bode, Bela E

2018-04-26

The presence of multiple paramagnetic species can lead to overlapping electron paramagnetic resonance (EPR) signals. This complication can be a critical obstacle for the use of EPR to unravel mechanisms and aid the understanding of earth abundant metal catalysis. Furthermore, redox or spin-crossover processes can result in the simultaneous presence of metal centres in different oxidation or spin states. In this contribution, pulse EPR experiments on model systems containing discrete mixtures of Cr(i) and Cr(iii) or Cu(ii) and Mn(ii) complexes demonstrate the feasibility of the separation of the EPR spectra of these species by inversion recovery filters and the identification of the relevant spin states by transient nutation experiments. We demonstrate the isolation of component spectra and identification of spin states in a mixture of catalyst precursors. The usefulness of the approach is emphasised by monitoring the fate of the chromium species upon activation of an industrially used precatalyst system.

Four-component relativistic density functional theory calculations of NMR shielding tensors for paramagnetic systems.

Science.gov (United States)

Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth; Malkina, Olga L; Malkin, Vladimir G

2013-12-27

A four-component relativistic method for the calculation of NMR shielding constants of paramagnetic doublet systems has been developed and implemented in the ReSpect program package. The method uses a Kramer unrestricted noncollinear formulation of density functional theory (DFT), providing the best DFT framework for property calculations of open-shell species. The evaluation of paramagnetic nuclear magnetic resonance (pNMR) tensors reduces to the calculation of electronic g tensors, hyperfine coupling tensors, and NMR shielding tensors. For all properties, modern four-component formulations were adopted. The use of both restricted kinetically and magnetically balanced basis sets along with gauge-including atomic orbitals ensures rapid basis-set convergence. These approaches are exact in the framework of the Dirac-Coulomb Hamiltonian, thus providing useful reference data for more approximate methods. Benchmark calculations on Ru(III) complexes demonstrate good performance of the method in reproducing experimental data and also its applicability to chemically relevant medium-sized systems. Decomposition of the temperature-dependent part of the pNMR tensor into the traditional contact and pseudocontact terms is proposed.

Ferromagnetic and paramagnetic magnetization of implanted GaN:Ho,Tb,Sm,Tm films

Czech Academy of Sciences Publication Activity Database

Maryško, Miroslav; Hejtmánek, Jiří; Laguta, Valentyn; Sofer, Z.; Sedmidubský, D.; Šimek, P.; Veselý, M.; Mikulics, M.; Buchal, C.; Macková, Anna; Malinský, Petr; Wilhelm, R. A.

2015-01-01

Roč. 117, č. 17 (2015), "17B907-1"-"17B907-4" ISSN 0021-8979 R&D Projects: GA ČR GA13-20507S; GA ČR(CZ) GBP108/12/G108; GA MŠk LM2011019 Institutional support: RVO:68378271 ; RVO:61389005 Keywords : magnetic field, * ferromagnetic and paramagnetic magnetization Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.101, year: 2015

Initial deposition and electron paramagnetic resonance defects characterization of TiO{sub 2} films prepared using successive ionic layer adsorption and reaction method

Energy Technology Data Exchange (ETDEWEB)

Wu Yiyong, E-mail: wuyiyong2001@yahoo.com.cn [National Key Laboratory of Materials Behaviors and Evaluation Technology in Space Environments, Harbin Institute of Technology, P.O. 432, Nan gang District, Harbin, 150080 (China); Shi Yaping [National Key Laboratory of Materials Behaviors and Evaluation Technology in Space Environments, Harbin Institute of Technology, P.O. 432, Nan gang District, Harbin, 150080 (China); Harbin University of Commerce, P.O. 493, Song bei District, Harbin, 150028 (China); Xu Xianbin; Sun Chengyue [National Key Laboratory of Materials Behaviors and Evaluation Technology in Space Environments, Harbin Institute of Technology, P.O. 432, Nan gang District, Harbin, 150080 (China)

2012-06-01

Successive ionic layer adsorption and reaction (SILAR) technique was considered promisingly to deposit ultra thin titanium dioxide (TiO{sub 2}) films under ambient condition. In this paper, the growth process, structures and paramagnetic defects of the films were characterized by complementary techniques of atomic force microscopy, X-ray photoelectron spectroscopy, Raman spectroscopy and electron paramagnetic resonance spectroscopy. The results indicate that on glass substrate the SILAR TiO{sub 2} film nucleates in an island mode within the initial five deposition cycles but grows in a layer-by-layer mode afterwards. The growth rate was measured as 4.6 A/cycle. In the as-deposited films, a kind of paramagnetic defects is detected at g (2.0029) and it can be attributed to oxygen vacancies. These as-received oxygen vacancies could be annealed out at 473 K. Ultraviolet irradiation on the as-deposited films can also decrease the density of the defects. The relative mechanisms on the phenomenon were discussed in this paper. - Highlights: Black-Right-Pointing-Pointer TiO{sub 2} films are deposited on glass at 25 Degree-Sign C by successive ionic layer adsorption and reaction method with a rate of 4.6 A/cycle. Black-Right-Pointing-Pointer The films nucleate in an island mode initially but grow in a layer mode afterwards. Black-Right-Pointing-Pointer The SILAR TiO{sub 2} films nucleation period is five cycles. Black-Right-Pointing-Pointer Electron paramagnetic resonance spectroscopy shows that TiO{sub 2} films paramagnetic defects are attributed to oxygen vacancies. Black-Right-Pointing-Pointer They will decrease by anneal or ultraviolet radiation and form hydroxyl or superoxide radicals.

Paramagnetic behavior of Co doped TiO{sub 2} nanocrystals controlled by self-purification mechanism

Energy Technology Data Exchange (ETDEWEB)

Anitha, B. [Centre for Nanoscience and Nanotechnology, University of Kerala, Kariavattom, Thiruvananthapuram 695 581 (India); Khadar, M. Abdul, E-mail: mabdulkhadar@rediffmail.com [Centre for Nanoscience and Nanotechnology, University of Kerala, Kariavattom, Thiruvananthapuram 695 581 (India); Banerjee, Alok [UGC-DAE Consortium for Scientific Research (CSR), Khandwa Road, Indore 452 001 (India)

2016-07-15

Doping in nanocrystals is a challenging process because of the self- purification mechanism which tends to segregate out the dopants resulting in a greater dopant concentration near the surface than at the interior of nanocrystals. In the present work nanocrystals of TiO{sub 2} doped with different atom % of Co were synthesized by peroxide gel method. XRD analysis confirmed the tetragonal anatase structure and HRTEM images showed the rod-like morphology of the samples. Raman modes of anatase phase of TiO{sub 2} along with weak intensity peaks of Co{sub 3}O{sub 4} for higher Co dopant concentrations were observed for the samples. EPR measurements revealed the presence of cobalt in +2 oxidation state in the TiO{sub 2} matrix. SQUID measurements indicated paramagnetic behavior of the Co doped TiO{sub 2} nanocrystals. The paramagnetic behavior is attributed to an increased concentration of Co{sup 2+} ions and an increased presence of Co{sub 3}O{sub 4} phase near the surface of the TiO{sub 2} nanocrystals due to self-purification mechanism. - Graphical abstract: Variation of the intensity ratios of XRD peaks as a function of atomic ratio of Co. Inset: variation of structure factor for (101) reflection as a function of atomic ratio of Co. Display Omitted - Highlights: • Co doped TiO{sub 2} nanocrystals were synthesized by peroxide gel method. • HRTEM images showed Co doped TiO{sub 2} nanocrystals to be rod-like. • EPR spectra showed +2 oxidation states for Co in the samples. • Co doped TiO{sub 2} nanocrystals showed paramagnetic behavior.

Fano-type coupling of a bound paramagnetic state with 2D continuum

International Nuclear Information System (INIS)

Rozhansky, I. V.; Averkiev, N. S.; Lähderanta, E.

2013-01-01

We analyze an effect of a bound impurity state located at a tunnel distance from a quantum well (QW). The study is focused on the resonance case when the bound state energy lies within the continuum of the QW states. Using the developed theory we calculate spin polarization of 2D holes induced by paramagnetic (Mn) delta-layer in the vicinity of the QW and indirect exchange interaction between two impurities located at a tunnel distance from electron gas

Influence of cell-internalization on relaxometric, optical and compositional properties of targeted paramagnetic quantum dot micelles

NARCIS (Netherlands)

Starmans, L. W. E.; Kok, M. B.; Sanders, H. M. H. F.; Zhao, Y.; Donegá, C. de Mello; Meijerink, A.; Mulder, W. J. M.; Grüll, H.; Strijkers, G. J.; Nicolay, K.

2011-01-01

Quantum dot micelles (pQDs) with a paramagnetic coating are promising nanoparticles for bimodal molecular imaging. Their bright fluorescence allows for optical detection, while their Gd payload enables visualization with contrast-enhanced MRI. A popular approach in molecular MRI is the targeting of

The Paramagnetism of Dissolved Mn in {alpha} and {beta} Brasses

Energy Technology Data Exchange (ETDEWEB)

Myers, H P; Westin, R

1962-12-15

Paramagnetic susceptibility measurements have been made on {alpha} and {beta} brasses containing {approx} 1 w/o Mn. The susceptibility varied with temperature according to the Curie Weiss law and the Curie constant and thereby the Bohr magneton number per Mn atom were determined. Interpreted in terms of valency, Mn monovalent in copper has a valency in {alpha} brass which decreases progressively with zinc content attaining the value 0.58 at the limiting of composition. Mn in {beta} brass exhibits a valency 0.8. These results are not in keeping with previous values for the valency of manganese as determined from phase boundary relationships and electron to atom ratios.

Moessbauer studies on the paramagnetic porton of alkidirat meteorite

Energy Technology Data Exchange (ETDEWEB)

Kamal, Huda Mohamed [Department of Physics, Faculty of Science, University of Khartoum, Khartoum (Sudan)

1995-11-01

This work was performed on a sample from alkidirat meteorite which fell west of Sudan by means of Moessbauer effect spectrometer. results showed the absence of transition temperature from the paramagnetic state to the magnetic state in the temperature range from 300K down to 16K. Also, it was found that olivine and ortho pyroxene exist together in site M{sup 1}, while clinothyroxene exists alone in site M{sup 2}. Formula for the composition of ortho pyroxene in the sample were also obtained and they were in good agreement with previous studies. The disorder parameter was also calculated and it showed that the pyroxene present in the sample is well-ordered.(Author) 37 refs. , 2 tabs. , 19 figs.

Theoretical studies of the local structure and electron paramagnetic resonance parameters for tetragonal VO{sup 2+} in C{sub 6}H{sub 7}KO{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Zhou, Ping [Chongqing Jiaotong Univ. (China). School of Science; Li, Ling [Sichuan University of Arts and Science, Dazhou (China). Dept. of Maths and Finance-Economics

2015-07-01

The optical spectra, electron paramagnetic resonance parameters (i.e., the spin Hamiltonian parameters, including paramagnetic g factors and the hyperfine structure constants A{sub i}) and the local distortion structure for the tetragonal VO{sup 2+} in C{sub 6}H{sub 7}KO{sub 7} are theoretically studied based on the crystal-field theory and three-order perturbation formulas of a 3d{sup 1} centre in tetragonal site. The magnitude of orbital reduction factor, core polarisation constant κ, and local structure parameters are obtained by fitting the calculated optical spectra and electron paramagnetic resonance parameters to the experimental values. The theoretical results are in reasonable agreement with the experimental values.

Concentration of paramagnetic centres at low-temperature thermal destruction of asphaltenes of heavy petroleum distillates

Directory of Open Access Journals (Sweden)

Dolomatov M.U., Rodionov A.A., Gafurov M.R., Petrov A.V., Biktagirov T.B., Bakhtizin R.Z., Makarchikov S.O., Khairudinov I.Z., Orlinskii S.B.

2016-11-01

Full Text Available Changes of paramagnetic centers (PC concentration in dispersed petroleum systems were studied in the process of low-temperature thermolysis. The kinetic model of PC concentration dynamics based on the processes of unpaired electrons formation during singlet-triplet transitions, weak chemical bonds dissociation and recombination of free radicals is proposed.

Investigation of the paramagnetic phase of bcc iron using polarized neutron scattering

International Nuclear Information System (INIS)

Wicksted, J.P.; Shirane, G.; Steinsvoll, O.

1983-01-01

Recent neutron scattering experiments on Ni and Fe (4%-Si) above T/sub c/ have demonstrated that a simple paramagnetic scattering function S(Qω) proportional to 1/(kappa 1 2 + q 2 ).GAMMA/(GAMMA 2 + ω 2 ) can explain the persistent spin wave ridges previously reported by Lynn and Mook. We present our new polarized beam results on pure Fe and describe in some detail the special problems associated with the unpolarized beam studies of magnetic cross sections at high temperatures

Oligomerization of Paramagnetic Substrates Result in Signal Amplification and Can be Used for MR Imaging of Molecular Targets

Directory of Open Access Journals (Sweden)

Alexei Bogdanov

2002-01-01

Full Text Available Magnetic resonance imaging (MRI has evolved into a sophisticated, noninvasive imaging modality capable of high-resolution anatomical and functional characterization of transgenic animals. To expand the capabilities MRI, we have developed a novel MR signal amplification (MRamp strategy based on enzyme-mediated polymerization of paramagnetic substrates into oligomers of higher magnetic relaxivity. The substrates consist of chelated gadolinium covalently bound to phenols, which then serve as electron donors during enzymatic hydrogen peroxide reduction by peroxidase. The converted monomers undergo rapid condensation into paramagnetic oligomers leading to a threefold increase in atomic relaxivity (R1/Gd. The observed relaxivity changes are largely due to an increase in the rotational correlation time τr of the lanthanide. Three applications of the developed system are demonstrated: (1 imaging of nanomolar amounts of an oxidoreductase (peroxidase; (2 detection of a model ligand using an enzyme-linked immunoadsorbent assay format; and (3 imaging of E-selectin on the surface of endothelial cells probed for with an anti-E-selectin – peroxidase conjugate. The development of “enzyme sensing” probes is expected to have utility for a number of applications including in vivo detection of specific molecular targets. One particular advantage of the MRamp technique is that the same paramagnetic substrate can be potentially used to identify different molecular targets by attaching enzymes to various antibodies or other target-seeking molecules.

Measurement of pO2 in a Pre-clinical Model of Rabbit Tumor Using OxyChip, a Paramagnetic Oxygen Sensor.

Science.gov (United States)

Hou, H; Khan, N; Kuppusamy, P

2017-01-01

The objective of this work was to establish a novel and robust technology, based on electron paramagnetic resonance (EPR) oximetry, as a practical tool for measurement of tumor oxygen. Previously, we have reported on the development of oxygen-sensing paramagnetic crystals (LiNc-BuO) encapsulated in a biocompatible polymer, called OxyChip. In this report we present our recent data on the use of OxyChip for pO 2 measurements in the tumor of a pre-clinical, large-animal rabbit model. The results establish that OxyChip is capable of noninvasive and repeated measurement of pO 2 in a large animal model.

Study and identification of paramagnetic centers by EPR technique in K3Cu(CN)4 crystals irradiated with X-rays

International Nuclear Information System (INIS)

Tancredo, A.

1984-01-01

Paramagnetic centers created in K 3 Cu(CN) 4 crystals by X-ray irradiation, using EPR technique are studied. The crystals are irradiated in following conditions: a) liquid nitrogen temperatures, b) room temperatures. Crystals field models of the paramagnetic centers which determine the following local symmetric in order to satisfy experimental results: a) Cu ++ in C sub(3v) symmetric and b) K 0 in distorted octahedral symmetry are proposed. The decay of these centers and the observation that Cu ++ ions are very much instable and disappear at T = 148K are studied. The K 0 atom remain up to T approximatelly 300K. (E.G.) [pt

Multi-frequency EDMR studies of light-activated paramagnetic centers in μc-Si:H thin-film solar cells

International Nuclear Information System (INIS)

Meier, Christoph

2014-01-01

This thesis presents a comprehensive study of paramagnetic centers in fully-processed microcrystalline silicon (μc-Si:H) thin-film solar cells. The heterogeneous material gives rise to a complex band structure with deep defects in the middle of the energy band gap as well as localized states close to the energy band edges. They can act as recombination centers and traps and, thereby, influence the charge transport of photogenerated charge carriers. Thus, they diminish the performance of the cell. To reduce the disadvantageous influence of the defect states on the cell efficiency, a detailed understanding of the charge transport processes via these states is necessary. In this work, light-activated paramagnetic centers are studied with electrically detected magnetic resonance (EDMR) at various microwave frequencies. This technique combines electron paramagnetic resonance spectroscopy (EPR) with the photocurrent measurement in the solar cell, thus, delivering information about the transport processes and magnetic parameters of the involved defect states. Multi-frequency EDMR at low temperatures reveals four paramagnetic states in μc-Si:H. Dangling bond (db) defects and holes in valence band tail (h) states are located in the disordered phase, whereas so-called CE and V states originate from the crystalline phase. The multi-frequency approach allows for a separation of field-dependent and -independent line widths. All EDMR signals are affected by line broadening due to spin-spin interaction, which could be used to estimate mean inter-spin distances of around ∼ 0.5 nm for the V center and of ∼ 1-2 nm for the remaining centers. Based on the strong spin-spin coupling and on transient nutation experiments the V signal could be correlated with a vacancy site in its excited triplet state. From the particular properties of the CE line it was concluded that the corresponding states are located in inversion layers and potential wells close to the conduction band of

α-, β-, and δ-Hydrogen Abstraction in the Thermolysis of Paramagnetic Vanadium(III) Dialkyl Complexes

NARCIS (Netherlands)

Hessen, Bart; Buijink, Jan-Karel F.; Meetsma, Auke; Teuben, Jan H.; Helgesson, Göran; Håkansson, Mikael; Jagner, Susan; Spek, Anthony L.

1993-01-01

Electron deficient paramagnetic vanadium(III) diakyls CpV(CH2CMe2R)2(PMe3) (14 electron, R = Me (2), Ph (3)) and CpV[CH(SiMe3)2]2 (12 electron, 4) have been synthesized. At ambient temperature 2 decomposes through α-hydrogen abstraction to produce, in the presence of dmpe

A new ion-exchange adsorbent with paramagnetic properties for the separation of genomic DNA.

Science.gov (United States)

Feng, Guodong; Jiang, Luan; Wen, Puhong; Cui, Yali; Li, Hong; Hu, Daodao

2011-11-21

A new ion-exchange adsorbent (IEA) derived from Fe(3)O(4)/SiO(2)-GPTMS-DEAE with paramagnetic properties was prepared. Fe(3)O(4) nanoparticles were firstly prepared in water-in-oil microemulsion. The magnetic Fe(3)O(4) particles were modified in situ by hydrolysis and condensation reactions with tetraethoxysilane (TEOS) to form the core-shell Fe(3)O(4)/SiO(2). The modified particles were further treated by 3-glycidoxypropyltrimethoxysilane (GPTMS) to form Fe(3)O(4)/SiO(2)-GPTMS nanoparticles. Fe(3)O(4)/SiO(2)-GPTMS-DEAE nanoparticles (IEA) were finally obtained through the condensation reaction between the Cl of diethylaminoethyl chloride-HCl (DEAE) and the epoxy groups of GPTMS in the Fe(3)O(4)/SiO(2)-GPTMS. The obtained IEA has features of paramagnetic and ion exchange properties because of the Fe(3)O(4) nanoparticles and protonated organic amine in the sample. The intermediates and final product obtained in the synthesis process were characterized. The separation result of genomic DNA from blood indicated that Fe(3)O(4)/SiO(2)-GPTMS-DEAE nanoparticles have outstanding advantages in operation, selectivity, and capacity.

Characterisation of β-tricalcium phosphate-based bone substitute materials by electron paramagnetic resonance spectroscopy

Science.gov (United States)

Matković, Ivo; Maltar-Strmečki, Nadica; Babić-Ivančić, Vesna; Dutour Sikirić, Maja; Noethig-Laslo, Vesna

2012-10-01

β-TCP based materials are frequently used as dental implants. Due to their resorption in the body and direct contact with tissues, in order to inactivate bacteria, fungal spores and viruses, they are usually sterilized by γ-irradiation. However, the current literature provides little information about effects of the γ-irradiation on the formation and stability of the free radicals in the bone graft materials during and after sterilization procedure. In this work five different bone graft substitution materials, composed of synthetic beta tricalcium phosphate (β-TCP) and hydroxyapatite (HAP) present in the market were characterized by electron paramagnetic resonance (EPR) spectroscopy, X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA). Paramagnetic species Mn2+, Fe3+, trapped H-atoms and CO2- radicals were detected in the biphasic material (60% HAP, 40% β-TCP), while in β-TCP materials only Mn2+ andor trapped hydrogen atoms were detected. EPR analysis revealed the details of the structure of these materials at the atomic level. The results have shown that EPR spectroscopy is a method which can be used to improve the quality control of bone graft materials after syntering, processing and sterilization procedure.

Paramagnetic relaxation effects in perturbed angular correlations for arbitrary electronic relaxation time

International Nuclear Information System (INIS)

Chopin, C.; Spanjaard, D.; Hartmann-Boutron, F.

1975-01-01

Previous perturbation treatments of paramagnetic relaxation effects in γγ PAC were limited to the case of very short electronic relaxation times. This limitation is circumvented by invoking a new perturbation theory recently elaborated by Hirst and others for handling relaxation effects in Moessbauer spectra. Under the assumption of spherical electronic relaxation the perturbation factors are computed as functions of certain relaxation parameters which are directly related to the microscopic relaxation Hamiltonian. The results are compared to those of the stochastic theory of Scherer and Blume [fr

Electron spin resonance study of the demagnetization fields of the ferromagnetic and paramagnetic films

Directory of Open Access Journals (Sweden)

I.I. Gimazov, Yu.I. Talanov

2015-12-01

Full Text Available The results of the electron spin resonance study of the La1-xCaxMnO3 manganite and the diphenyl-picrylhydrazyl thin films for the magnetic field parallel and perpendicular to plane of the films are presented. The temperature dependence of the demagnetizing field is obtained. The parameters of the Curie-Weiss law are estimated for the paramagnetic thin film.

Study of the arrangement of crystallites in γ-irradiated human enamel by electron paramagnetic resonance

International Nuclear Information System (INIS)

Cevc, P.; Schara, M.; Ravnik, C.; Skaleric, U.

1976-01-01

The arrangement of tooth enamel microcrystals has been studied on CO 3 3- bound electrons by paramagnetic resonance. It was found that noncarious human maxillary central incisors have a greater degree of alignment of tooth enamel microcrystals than the carious ones. The outermost surface layer of enamel showed a greater crystallite degree of alignment than other parts

Electron paramagnetic resonance dosimetry using synthetic hydroxyapatite

Energy Technology Data Exchange (ETDEWEB)

Choi, Kwon; Kim, Hwi Young; Ye, Sung Joon [Seoul National University, Seoul (Korea, Republic of); Hirata, Hiroshi [Hokkaido University, Sapporo (Japan); Park, Jong Min [Seoul National University Hospital, Seoul (Korea, Republic of)

2014-11-15

The victims exposed doses under 3.5-4.0 Gy have chance to survive if treated urgently. To determine the priority of treatment among a large number of victims, the triage – distinguishing patients who need an urgent treatment from who may not be urgent – is necessary based on radiation biodosimetry. A current gold standard for radiation biodosimetry is the chromosomal assay using human lymphocytes. But this method requires too much time and skilled labors to cover the mass victims in radiation emergencies. Electron paramagnetic resonance (EPR) has been known for its capability of quantifying radicals in matters. EPR dosimetry is based on the measurement of stable radiation-induced radicals in tooth enamel. Hydroxyapatite (HAP) (Ca10(PO4)6(OH)2) contained in tooth enamel is a major probe for radiation dose reconstruction. This HAP dosimetry study was performed using a novel EPR spectrometer in Hokkaido University, Japan. The EPR dose-response curve was made using HAP samples. The blind test using 250 cGy samples showed the feasibility of EPR dosimetry for the triage purpose.

Probing defect driven tunable spontaneous magnetization in paramagnetic Zn{sub 0.95}Co{sub 0.05}O epitaxial films by X-ray absorption investigations

Energy Technology Data Exchange (ETDEWEB)

Satyarthi, P.; Ghosh, S. [Nanostech Laboratory, Department of Physics, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016 (India); Wang, Y.T.; Zhou, S. [Helmholtz-Zentrum Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, Bautzner Landstr. 400, 01328 Dresden (Germany); Kumar, P.; Kanjilal, D. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Olivi, L. [Elettra-Sincrotrone Trieste S.C.p.A., s.s. 14 km 163.5, 34194 Basovizza Trieste (Italy); Bürger, D.; Skorupa, I.; Schmidt, H. [Department of Materials for Nanoelectronics, Chemnitz University of Technology, 09126 Chemnitz (Germany); Srivastava, P., E-mail: pankajs@physics.iitd.ac.in [Nanostech Laboratory, Department of Physics, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016 (India)

2015-11-15

In order to address existing unresolved issues related to intrinsic and extrinsic origins of ferromagnetism in Zn{sub 1−x}Co{sub x}O based diluted magnetic semiconductors for varying x, the present work aims to investigate the tunable ferromagnetism triggered in paramagnetic Zn{sub 0.95}Co{sub 0.05}O films using 500 KeV inert xenon ion irradiation of different fluences. The origin of ferromagnetism in post irradiated Zn{sub 0.95}Co{sub 0.05}O films is understood from different densities of bound magnetic polarons (BMPs) formation through correlated spins of tetrahedrally substituted Co{sup 2+} ions and anionic vacancies. The alteration in crystallographic positions of Zn, Co cations, and O anions in the tetrahedral environment as analyzed from Zn and Co K-edgeX-ray absorption and O 1s photoemission is a crucial factor for the stabilization of different density of BMPs. Magnetic field and temperature dependence of X-ray magnetic circular dichroism at the Co L{sub 2,3} edge provide experimental evidence of purely paramagnetic contribution from well localized Co{sup 2+} ions of Co sublattice for paramagnetic Zn{sub 0.95}Co{sub 0.05}O film. The paramagnetic Co{sup 2+} ions of Co sublattice persist in irradiated films, which reveal BMPs formation as the origin of ferromagnetism. - Highlights: • Ferromagnetism is triggered and tuned in Zn{sub 1−x}Co{sub x}O films by inert ion irradiation. • Ferromagnetism is stabilized from different degree of bound magnetic polarons. • The alteration in crystallographic positions of Zn, Co and O atoms tunes BMPs. • Paramagnetic contribution of the Co sublattice persists in Zn{sub 1−x}Co{sub x}O films.

Paramagnetic decoration of DNA origami nanostructures by Eu³⁺ coordination.

Science.gov (United States)

Opherden, Lars; Oertel, Jana; Barkleit, Astrid; Fahmy, Karim; Keller, Adrian

2014-07-15

The folding of DNA into arbitrary two- and three-dimensional shapes, called DNA origami, represents a powerful tool for the synthesis of functional nanostructures. Here, we present the first approach toward the paramagnetic functionalization of DNA origami nanostructures by utilizing postassembly coordination with Eu(3+) ions. In contrast to the usual formation of toroidal dsDNA condensates in the presence of trivalent cations, planar as well as rod-like DNA origami maintain their shape and monomeric state even under high loading with the trivalent lanthanide. Europium coordination was demonstrated by the change in Eu(3+) luminescence upon binding to the two DNA origami. Their natural circular dichroism in the Mg(2+)- and Eu(3+)-bound state was found to be very similar to that of genomic DNA, evidencing little influence of the DNA origami superstructure on the local chirality of the stacked base pairs. In contrast, the magnetic circular dichroism of the Mg(2+)-bound DNA origami deviates from that of genomic DNA. Furthermore, the lanthanide affects the magnetic properties of DNA in a superstructure-dependent fashion, indicative of the existence of superstructure-specific geometry of Eu(3+) binding sites in the DNA origami that are not formed in genomic DNA. This simple approach lays the foundation for the generation of magneto-responsive DNA origami nanostructures. Such systems do not require covalent modifications and can be used for the magnetic manipulation of DNA nanostructures or for the paramagnetic alignment of molecules in NMR spectroscopy.

Observations of Confinement of a Paramagnetic Liquid in Model Propellant Tanks in Microgravity by the Kelvin Force

Science.gov (United States)

Kuhlman, John; Gray, Donald D.; Barnard, Austin; Hazelton, Jennifer; Lechliter, Matthew; Starn, Andrew; Battleson, Charles; Glaspell, Shannon; Kreitzer, Paul; Leichliter, Michelle

2002-11-01

The magnetic Kelvin force has been proposed as an artificial gravity to control the orientation of paramagnetic liquid propellants such as liquid oxygen in a microgravity environment. This paper reports experiments performed in the NASA "Weightless Wonder" KC-135 aircraft, through the Reduced Gravity Student Flight Opportunities Program. The aircraft flies through a series of parabolic arcs providing about 25 s of microgravity in each arc. The experiment was conceived, designed, constructed, and performed by the undergraduate student team and their two faculty advisors. Two types of tanks were tested: square-base prismatic tanks 5 cm x 5 cm x 8.6 cm and circular cylinders 5 cm in diameter and 8.6 cm tall. The paramagnetic liquid was a 3.3 molar solution of MnCl2 in water. Tests were performed with each type of tank filled to depths of 1 cm and 4 cm. Each test compared a pair of tanks that were identical except that the base of one was a pole face of a 0.6 Tesla permanent magnet. The Kelvin force attracts paramagnetic materials toward regions of higher magnetic field. It was hypothesized that the Kelvin force would hold the liquid in the bottom of the tanks during the periods of microgravity. The tanks were installed in a housing that could slide on rails transverse to the flight direction. By manually shoving the housing, an identical impulse could be provided to each tank at the beginning of each period of microgravity. The resulting fluid motions were videotaped for later analysis.

Interplay of paramagnetic signal with superconductive environment in a (Nd,Eu,Gd)BaCuO single crystal

Czech Academy of Sciences Publication Activity Database

Jirsa, Miloš; Rameš, Jiří; Wolf, T.

2012-01-01

Roč. 400, Part 2 (2012), 1-4 ISSN 1742-6588 R&D Projects: GA MŠk(CZ) ME10069 Institutional research plan: CEZ:AV0Z10100520 Keywords : paramagnetic rare earth ions * ternary cuprates * NEG-123 Subject RIV: BM - Solid Matter Physics ; Magnetism

Er3+ impurities in KTiOPO4 studied by electron paramagnetic resonance

International Nuclear Information System (INIS)

Bravo, D; MartIn, A; Carvajal, J J; Aguilo, M; DIaz, F; Lopez, F J

2006-01-01

An electron paramagnetic resonance (EPR) study of Er 3+ ions in single crystals of KTiOPO 4 (KTP) is presented. The EPR spectra show the existence of eight different Er 3+ centres. The g-matrix has been determined for all eight centres from the analysis of the angular dependences of the spectrum in three planes of the crystal. This study provides strong evidence about incorporation of erbium in the low-symmetry K + sites of KTP. Possible reasons for the appearance of such a large number of Er 3+ centres are discussed

Electron paramagnetic resonance of radicals and metal complexes. 2. international conference of the Polish EPR Association. Warsaw 9-13 September 1996

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-12-31

The conference of Electron Paramagnetic Resonance of Radicals and Metal Complexes has been held in Warsaw from 9 to 13 September 1996. It was the Second International Conference of the Polish EPR Association. The very extensive group of systems containing paramagnetic species has been studied by means of ESR or other magnetic techniques like ENDOR, Spin Echo etc. By radiation or photochemically generated radicals have been stabilized in low temperatures or being detected by means of very fast pulsed techniques. The chemical reactions, reaction kinetics of radicals as well as spin interaction with matrices have been studied and discussed. Over 100 lectures and posters have been presented.

Electron paramagnetic resonance of radicals and metal complexes. 2. international conference of the Polish EPR Association. Warsaw 9-13 September 1996

International Nuclear Information System (INIS)

1996-01-01

The conference of Electron Paramagnetic Resonance of Radicals and Metal Complexes has been held in Warsaw from 9 to 13 September 1996. It was the Second International Conference of the Polish EPR Association. The very extensive group of systems containing paramagnetic species has been studied by means of ESR or other magnetic techniques like ENDOR, Spin Echo etc. By radiation or photochemically generated radicals have been stabilized in low temperatures or being detected by means of very fast pulsed techniques. The chemical reactions, reaction kinetics of radicals as well as spin interaction with matrices have been studied and discussed. Over 100 lectures and posters have been presented

Electron paramagnetic resonance of radicals and metal complexes. 2. international conference of the Polish EPR Association. Warsaw 9-13 September 1996

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-31

The conference of Electron Paramagnetic Resonance of Radicals and Metal Complexes has been held in Warsaw from 9 to 13 September 1996. It was the Second International Conference of the Polish EPR Association. The very extensive group of systems containing paramagnetic species has been studied by means of ESR or other magnetic techniques like ENDOR, Spin Echo etc. By radiation or photochemically generated radicals have been stabilized in low temperatures or being detected by means of very fast pulsed techniques. The chemical reactions, reaction kinetics of radicals as well as spin interaction with matrices have been studied and discussed. Over 100 lectures and posters have been presented.

Enhanced Wireless Power Transmission Using Strong Paramagnetic Response.

Science.gov (United States)

Ahn, Dukju; Kiani, Mehdi; Ghovanloo, Maysam

2014-03-01

A method of quasi-static magnetic resonant coupling has been presented for improving the power transmission efficiency (PTE) in near-field wireless power transmission, which improves upon the state of the art. The traditional source resonator on the transmitter side is equipped with an additional resonator with a resonance frequency that is tuned substantially higher than the magnetic field excitation frequency. This additional resonator enhances the magnetic dipole moment and the effective permeability of the power transmitter, owing to a phenomenon known as the strong paramagnetic response. Both theoretical calculations and experimental results show increased PTE due to amplification of the effective permeability. In measurements, the PTE was improved from 57.8% to 64.2% at the nominal distance of 15 cm when the effective permeability was 2.6. The power delivered to load was also improved significantly, with the same 10 V excitation voltage, from 0.38 to 5.26 W.

Modified Mason number for charged paramagnetic colloidal suspensions

Science.gov (United States)

Du, Di; Hilou, Elaa; Biswal, Sibani Lisa

2016-06-01

The dynamics of magnetorheological fluids have typically been described by the Mason number, a governing parameter defined as the ratio between viscous and magnetic forces in the fluid. For most experimental suspensions of magnetic particles, surface forces, such as steric and electrostatic interactions, can significantly influence the dynamics. Here we propose a theory of a modified Mason number that accounts for surface forces and show that this modified Mason number is a function of interparticle distance. We demonstrate that this modified Mason number is accurate in describing the dynamics of a rotating pair of paramagnetic colloids of identical or mismatched sizes in either high or low salt solutions. The modified Mason number is confirmed to be pseudoconstant for particle pairs and particle chains undergoing a stable-metastable transition during rotation. The interparticle distance term can be calculated using theory or can be measured experimentally. This modified Mason number is more applicable to magnetorheological systems where surface forces are not negligible.

Specific features of magnetoresistance during the antiferromagnet—paramagnet transition in Tm1−xYbxB12

International Nuclear Information System (INIS)

Sluchanko, N. E.; Azarevich, A. N.; Bogach, A. V.; Glushkov, V. V.; Demishev, S. V.; Levchenko, A. V.; Filippov, V. B.; Shitsevalova, N. Yu.

2013-01-01

The transverse magnetoresistance Δρ/ρ(H, T) of Tm 1−x Yb x B 12 single crystals is studied in the ytterbium concentration range corresponding to the antiferromagnet-paramagnet transition in a magnetic field up to 80 kOe at low temperatures. A magnetic H-T phase diagram is constructed for the antiferromagnetic state of substitutional Tm 1−x Yb x B 12 solid solutions with x ≤ 0.1. The contributions to the magnetoresistance in the antiferromagnetic and paramagnetic phases of the dodecaborides under study are separated. Along with negative quadratic magnetoresistance -Δρ/ρ ∝ H 2 , the magnetically ordered phase of these compounds is found to have component Δρ/ρ ∝ H that linearly changes in a magnetic field. The negative contribution to the magnetoresistance of Tm 1−x Yb x B 12 is analyzed in terms of the Yosida model for a local magnetic susceptibility.

Chondroitin sulfate-capped super-paramagnetic iron oxide nanoparticles as potential carriers of doxorubicin hydrochloride.

Science.gov (United States)

Mallick, Neha; Anwar, Mohammed; Asfer, Mohammed; Mehdi, Syed Hassan; Rizvi, Mohammed Moshahid Alam; Panda, Amulya Kumar; Talegaonkar, Sushama; Ahmad, Farhan Jalees

2016-10-20

Chondroitin-4-sulfate (CS), a glycosaminoglycan, was used to prepare CS-capped super-paramagnetic iron oxide nanoparticles, which were further employed for loading a water-soluble chemotherapeutic agent (doxorubicin hydrochloride, DOX). CS-capped SPIONs have potential biomedical application in cancer targeting. The optimized formulation had a hydrodynamic size of 91.2±0.8nm (PDI; 0.228±0.004) and zeta potential of -49.1±1.66mV. DOX was loaded onto the formulation up to 2% (w/w) by physical interaction with CS. TEM showed nano-sized particles having a core-shell structure. XRD confirmed crystal phase of iron oxide. FT-IR conceived the interaction of iron oxide with CS as bidentate chelation and also confirmed DOX loading. Vibration sample magnetometry confirmed super-paramagnetic nature of nanoparticles, with saturation magnetization of 0.238emug(-1). In vitro release profile at pH 7.4 showed that 96.67% of DOX was released within 24h (first order kinetics). MTT assay in MCF7 cells showed significantly higher (p<0.0001) cytotoxicity for DOX in SPIONs than DOX solution (IC50 values 6.294±0.4169 and 11.316±0.1102μgmL(-1), respectively). Copyright © 2016 Elsevier Ltd. All rights reserved.

Role of paramagnetic polyconjugated clusters in lignin antioxidant activity (in vitro)

International Nuclear Information System (INIS)

Dizhbite, T; Ponomarenko, J; Andersone, A; Dobele, G; Lauberts, M; Krasilnikova, J; Telysheva, G; Mironova-Ulmane, N

2012-01-01

Using physico-chemical methods (EPR, SEC, Py-GC/MS and UV/VIS spectroscopy) and wet chemical analysis, the characteristics of 6 hardwood lignins in terms of functionality, molecular weight and composition of lignin substructures were determined and considered together with the results of DPPH., ABTS. + and O 2 . − antioxidant assays with the aim to understand the relationships governing antioxidant properties of lignin. The strong positive linear correlation between lignin antioxidant capacity in the three assays used and the extent of conjugation of paramagnetic polyconjugated clusters in lignin macromolecules was found. The biological activity of the most active alkaline lignins was assessed by in vitro experiment with human blood.

Biophysical dosimetry using electron paramagnetic resonance in human tooth

International Nuclear Information System (INIS)

Khan, R.F.H.; Boreham, D.R.; Rink, W.J.

2002-01-01

Accidental dosimetry utilizing radiation induced paramagnetic species in biophysical tissues like teeth is a technique; that can measure the amount of radiation exposure to an individual. The major problem in implementing this technique at low doses is the presence of native organic signal, and various other artifacts produced as a result of sample processing. After a series of experimental trials, we developed an optimum set of rules, which uses high temperature ultrasonic treatment of enamel in KOH, multiple sample rotation during in-cavity measurement of natural and calibrated added irradiations, and dose construction using a backward extrapolation method. By using this we report the successful dose reconstruction in a few of our laboratory samples in 100 mGy range (76.29 ± 30.14) mGy with reasonably low uncertainty. Keywords: biophysical dosimetry, human tooth enamel, low dose measurements, accidental dosimetry (author)

Radiation silver paramagnetic centers in a beta-alumina crystal

International Nuclear Information System (INIS)

Badalyan, A.G.; Zhitnikov, R.A.

1985-01-01

Silver paramagnetic centers in a β-alumina crystal, formed after X-ray radiation at 77 K, are investigated by the EPR method. Silver enters the β-alumina crystal, substituting sodium and potassium ions in a mirror plane. Crystals with substitution from 0.1 to 100% of alkali metal ions by Ag + ions are investigated. Silver atomic centers (Ag 0 -centers), formed by electron capture with the Ag + ion, are firstly detected and investigated in the β-alumina. Hole Ag 2+ -centers are investigated and detected in crystals with high concentration of Ag + . By studying the orientation dependence of a g-factor it is established that hole capture by the Ag + ion is accompanied by Ag 2+ ion displacement from the position, Ag + being primarity taken up (Beavers-Roth or anti- Beavers-Roth) to the position between two oxygen ions in the mirror plane

Electron paramagnetic resonance of the ns1 centers in crystals

International Nuclear Information System (INIS)

Nistor, S.V.; Ursu, I.

1993-05-01

The results of the EPR studies concerning the paramagnetic centers with ns 1 (N=n>2) outer electronic configuration contained in crystals are reviewed. Such centers, with 2 S 1/2 ground state, are produced by electron trapping at impurities of the IB and IIB group or by hole trapping at impurities of the IIIB and IV group of elements. The production and structural properties of such centers consisting of ns 1 ions (atoms) at various sites in the crystal lattice with different configurations of neighbouring defects are discussed in connection with their EPR characteristics. Tables containing the spin Hamiltonian parameters of all ns 1 centers reported in the literature until the end of year 1992 are given. (author). 146 refs, 14 tabs

Study of Paramagnetic Monohydrates MeSO4.1H2O (Me = Mn2+, Co2+, Fe2+, Ni2+, Cu2+

Directory of Open Access Journals (Sweden)

Jelšovská Kamila

2000-09-01

Full Text Available Nuclear magnetic resonance (NMR of protons of crystrallization water in isomorphous paramagnetic monohydrates MeSO4.1H2O with Me = Mn2+ , Co2+ , Fe2+ , Ni2+ , Cu2+ is studied in the present paper. Several physically important parameters characterizing the studied substances were derived from the NMR spectra. In this paper we analysed the dependences of the NMR second moment M2 on the magnitude of the external magnetic field induction Br and the temperature. The proton NMR spectra in paramagnetic hydrates have an asymmetric form caused by the anisotropy of the local magnetic field acting on resonating nuclei and their second moments, M2, depend linearly on the square of the external magnetic field Br. The parameters M20 (the part of the second moment M2 which corresponds to the nuclear dipole-dipole interactions and á which characterize nuclear dipole-dipole interactions of protons and paramagnetic ions, respectively, are derived from experimentally obtained dependences of M2 vs Br2. The measurements were performed at the room temperature. Calculations were realized using the approximation where two nearest neighbour ions Me2+ to each water molecule are considered. The temperature dependence of the second moment, which was realised in the temperature range 123-313 K, was more informative than the field one. Besides the individual dependences M2(T measured at fr1 and fr2 we analysed the temperature dependence of the difference ∆M2(T. Beside the second moment M20 the Curie-Weiss constant è and the magnetic moment µi of paramagnetic ions were determined from the temperature dependences. The parameters è and M20 were determined directly from the experimental data. Some knowledge on the crystalline structure for the studied substance was required for the calculation of the magnetic moment µi. By means of the classification of substances according to the Curie-Weiss parameter, the negative value of the temperature parameter è for all studied

A sextupole-magnet as variable velocity selector for paramagnetic atomic beams in the thermal range

International Nuclear Information System (INIS)

Spindler, G.; Ebinghaus, H.; Steffens, E.

1974-01-01

The possibility of employing a sextupole-magnet as a velocity selector on account of its velocity dependent focusing properties for paramagnetic atomic beams is investigated. In comparison with a traditional velocity selector with rotating disks, a sextupole-magnet as velocity selector has the advantage of additional focusing and polarizing the atomic beam. Moreover it suppresses polymer molecules without an effective magnetic momentum of the electronic shell

Microstrip resonators for electron paramagnetic resonance experiments

Science.gov (United States)

Torrezan, A. C.; Mayer Alegre, T. P.; Medeiros-Ribeiro, G.

2009-07-01

In this article we evaluate the performance of an electron paramagnetic resonance (EPR) setup using a microstrip resonator (MR). The design and characterization of the resonator are described and parameters of importance to EPR and spin manipulation are examined, including cavity quality factor, filling factor, and microwave magnetic field in the sample region. Simulated microwave electric and magnetic field distributions in the resonator are also presented and compared with qualitative measurements of the field distribution obtained by a perturbation technique. Based on EPR experiments carried out with a standard marker at room temperature and a MR resonating at 8.17 GHz, the minimum detectable number of spins was found to be 5×1010 spins/GHz1/2 despite the low MR unloaded quality factor Q0=60. The functionality of the EPR setup was further evaluated at low temperature, where the spin resonance of Cr dopants present in a GaAs wafer was detected at 2.3 K. The design and characterization of a more versatile MR targeting an improved EPR sensitivity and featuring an integrated biasing circuit for the study of samples that require an electrical contact are also discussed.

Microstrip resonators for electron paramagnetic resonance experiments.

Science.gov (United States)

Torrezan, A C; Mayer Alegre, T P; Medeiros-Ribeiro, G

2009-07-01

In this article we evaluate the performance of an electron paramagnetic resonance (EPR) setup using a microstrip resonator (MR). The design and characterization of the resonator are described and parameters of importance to EPR and spin manipulation are examined, including cavity quality factor, filling factor, and microwave magnetic field in the sample region. Simulated microwave electric and magnetic field distributions in the resonator are also presented and compared with qualitative measurements of the field distribution obtained by a perturbation technique. Based on EPR experiments carried out with a standard marker at room temperature and a MR resonating at 8.17 GHz, the minimum detectable number of spins was found to be 5 x 10(10) spins/GHz(1/2) despite the low MR unloaded quality factor Q0=60. The functionality of the EPR setup was further evaluated at low temperature, where the spin resonance of Cr dopants present in a GaAs wafer was detected at 2.3 K. The design and characterization of a more versatile MR targeting an improved EPR sensitivity and featuring an integrated biasing circuit for the study of samples that require an electrical contact are also discussed.

Assignment of solid-state 13C and 1H NMR spectra of paramagnetic Ni(II) acetylacetonate complexes aided by first-principles computations

DEFF Research Database (Denmark)

Rouf, Syed Awais; Jakobsen, Vibe Boel; Mareš, Jiří

2017-01-01

Recent advances in computational methodology allowed for first-principles calculations of the nuclear shielding tensor for a series of paramagnetic nickel(II) acetylacetonate complexes, [Ni(acac)2L2] with L = H2O, D2O, NH3, ND3, and PMe2Ph have provided detailed insight into the origin of the par......Recent advances in computational methodology allowed for first-principles calculations of the nuclear shielding tensor for a series of paramagnetic nickel(II) acetylacetonate complexes, [Ni(acac)2L2] with L = H2O, D2O, NH3, ND3, and PMe2Ph have provided detailed insight into the origin...

Characterizing the paramagnetic behavior of Cu{sup 2+} doped nickel(II) dipicolinato by using theoretical and experimental EPR and UV–vis studies

Energy Technology Data Exchange (ETDEWEB)

Yıldırım, İlkay [Department of Radiotherapy, Vocational School of Health Services, Biruni University, Topkapı, 34010 Istanbul (Turkey); Çelik, Yunus [Department of Physics, Faculty of Arts and Science, Ondokuz Mayıs University, Atakum, 55139 Samsun (Turkey); Karabulut, Bünyamin, E-mail: bbulut@omu.edu.tr [Department of Computer Engineering, Faculty of Engineering, Ondokuz Mayıs University, Atakum, 55139 Samsun (Turkey)

2016-02-15

In this study, the paramagnetism in bis(hydrogeno pyridine-2,6-dicarboxylato) nickel(II) trihydrate, [Ni(Hdpc){sub 2}]·3H{sub 2}O, has been investigated after doping the sample with Cu{sup 2+} ions. The g and hyperfine parameters were obtained by electron paramagnetic resonance (EPR) experiments performed at ambient temperature. The study shows that Cu{sup 2+} ion defects the structure and exists interstitially in the lattice having a distorted local environment. It also shows the existence of two magnetically inequivalent Cu{sup 2+} sites. Experimental values for both EPR and optical spectrum studies were verified by using the appropriate theoretical approaches.

Powderspec, a program for the efficient simulation of spectra of electron paramagnetic resonance of powders with orthorhombic symmetry

International Nuclear Information System (INIS)

Gonzalez T, L.; Beltran L, V.

1991-09-01

In this report a FORTRAN source program which simulates the second order powder pattern and spectrum of electron paramagnetic resonance (EPR) in crystal fields with orthorhombic symmetry using Gauss-Legendre quadratures is given. Also the commentaries which describe each step in detail are presented. (Author)

Low-temperature specific heat of YMn sub 2 in the paramagnetic and antiferromagnetic phases

Energy Technology Data Exchange (ETDEWEB)

Fisher, R.A.; Emerson, J.P.; Phillips, N.E. (Lawrence Berkeley Lab., CA (United States)); Ballou, R.; Lelievre-Berna, E. (Centre National de la Recherche Scientifique (CNRS), 38 - Grenoble (France). Lab. Louis Neel)

1992-07-01

The low-temperature specific heat of YMn{sub 2} has been measured at applied pressures of 0 to 7.7 kbar. A paramagnetic state is stabilized for moderate values of the applied pressure (of the order of 1.6 kbar). A large linear term in the specific heat, which decreases regularly with increasing pressure, is observed in this phase. It is ascribed to giant spin fluctuations associated with a magnetic-non magnetic instability and a strong geometrical spin frustration.

High gradient magnetic separation of upconverting lanthanide nanophosphors based on their intrinsic paramagnetism

Energy Technology Data Exchange (ETDEWEB)

Arppe, Riikka, E-mail: riikka.arppe@utu.fi; Salovaara, Oskari; Mattsson, Leena; Lahtinen, Satu; Valta, Timo; Riuttamaeki, Terhi; Soukka, Tero [University of Turku, Department of Biotechnology (Finland)

2013-09-15

Photon upconverting nanophosphors (UCNPs) have the unique luminescent property of converting low-energy infrared light into visible emission which can be widely utilized in nanoreporter and imaging applications. For the use as reporters in these applications, the UCNPs must undergo a series of surface modification and bioconjugation reactions. Efficient purification methods are required to remove the excess reagents and biomolecules from the nanophosphor solution after each step to yield highly responsive reporters for sensitive bioanalytical assays. However, as the particle size of the UCNPs approaches the size of biomolecules, the handling of these reporters becomes cumbersome with traditional purification methods such as centrifugation. Here we introduce a novel approach for purification of bioconjugated 32-nm NaYF{sub 4}: Yb{sup 3+}, Er{sup 3+}-nanophosphors from excess unbound biomolecules utilizing high gradient magnetic separation (HGMS)-system constructed from permanent super magnets which produce magnetic gradients in a magnetizable steel wool matrix amplifying the magnetic field. The non-magnetic biomolecules flowed straight through the magnetized HGMS-column while the UCNPs were eluted only after the magnetic field was removed. In the UCNPs the luminescent centers, i.e., lanthanide-ion dopants are responsible for the strong upconversion luminescence, but in addition they are also paramagnetic. In this study we have shown that the presence of these weakly paramagnetic luminescent lanthanides actually also enables the use of HGMS to capture the UCNPs without incorporating additional optically inactive magnetic core into them.

High gradient magnetic separation of upconverting lanthanide nanophosphors based on their intrinsic paramagnetism

International Nuclear Information System (INIS)

Arppe, Riikka; Salovaara, Oskari; Mattsson, Leena; Lahtinen, Satu; Valta, Timo; Riuttamäki, Terhi; Soukka, Tero

2013-01-01

Photon upconverting nanophosphors (UCNPs) have the unique luminescent property of converting low-energy infrared light into visible emission which can be widely utilized in nanoreporter and imaging applications. For the use as reporters in these applications, the UCNPs must undergo a series of surface modification and bioconjugation reactions. Efficient purification methods are required to remove the excess reagents and biomolecules from the nanophosphor solution after each step to yield highly responsive reporters for sensitive bioanalytical assays. However, as the particle size of the UCNPs approaches the size of biomolecules, the handling of these reporters becomes cumbersome with traditional purification methods such as centrifugation. Here we introduce a novel approach for purification of bioconjugated 32-nm NaYF 4 : Yb 3+ , Er 3+ -nanophosphors from excess unbound biomolecules utilizing high gradient magnetic separation (HGMS)-system constructed from permanent super magnets which produce magnetic gradients in a magnetizable steel wool matrix amplifying the magnetic field. The non-magnetic biomolecules flowed straight through the magnetized HGMS-column while the UCNPs were eluted only after the magnetic field was removed. In the UCNPs the luminescent centers, i.e., lanthanide-ion dopants are responsible for the strong upconversion luminescence, but in addition they are also paramagnetic. In this study we have shown that the presence of these weakly paramagnetic luminescent lanthanides actually also enables the use of HGMS to capture the UCNPs without incorporating additional optically inactive magnetic core into them

The paramagnetic properties of ferromagnetic mixed-spin chain system

International Nuclear Information System (INIS)

Hu, Ai-Yuan; Wu, Zhi-Min; Cui, Yu-Ting; Qin, Guo-Ping

2015-01-01

The double-time Green's function method is used to investigate the paramagnetic properties of ferromagnetic mixed-spin chain system within the random-phase approximation and Anderson–Callen's decoupling approximation. The analytic expressions of the transverse susceptibility, longitudinal susceptibility and correlation length are obtained under transverse and longitudinal magnetic field. Using the analytic expressions of the transverse and longitudinal susceptibility to fit the experimental results, our results well agree with experimental data and the results from the high temperature series expansion within a simple Padé approximation. - Highlights: • We investigate the magnetic properties of a ferromagnetic mixed-spin chain system. • We use the double-time temperature-dependent Green's function technique. • Different single-ion anisotropy values for different spin values are considered. • Our results agree with experimental data and the results from the other theoretical methods

Comparative study between different nitrosyls hemoproteins using electron paramagnetic resonance; Estudo comparativo entre diferentes nitrosil hemoproteinas por ressonancia paramagnetica eletronica

Energy Technology Data Exchange (ETDEWEB)

Caracelli, Ignez

1988-12-31

Using the Electron Paramagnetic Resonance (EPR) technique, the properties of several nitrosyl hemoproteins were investigated as a function of temperature, pH and nitric oxide (NO) concentration. (author). 59 refs., 53 figs., 6 tabs.

Theoretical model of intravascular paramagnetic tracers effect on tissue relaxation

DEFF Research Database (Denmark)

Kjølby, Birgitte Fuglsang; Østergaard, Leif; Kiselev, Valerij G

2006-01-01

The concentration of MRI tracers cannot be measured directly by MRI and is commonly evaluated indirectly using their relaxation effect. This study develops a comprehensive theoretical model to describe the transverse relaxation in perfused tissue caused by intravascular tracers. The model takes...... into account a number of individual compartments. The signal dephasing is simulated in a semianalytical way by embedding Monte Carlo simulations in the framework of analytical theory. This approach yields a tool for fast, realistic simulation of the change in the transverse relaxation. The results indicate...... with bulk blood. The enhancement of relaxation in tissue is due to the contrast in magnetic susceptibility between blood vessels and parenchyma induced by the presence of paramagnetic tracer. Beyond the perfusion measurements, the results can be applied to quantitation of functional MRI and to vessel size...

Application of hot neutron scattering to the problem of 3d metallic paramagnetism

International Nuclear Information System (INIS)

Brown, P.J.; Capellmann, H.; Deportes, J.; Givord, D.; Johnson, S.M.; Ziebeck, K.R.A.

1984-01-01

The authors report in this paper on experiments performed in Fe and Ni in their paramagnetic state. Scattering of polarized neutrons with polarization analysis has been used to separate out the magnetic scattering from other sources of scattering. Large quasi-elastic scattering is observed which characterizes ferromagnetic correlations over several inter-atomic distances. The large-Q component of the scattering is fairly small as expected for itinerant electrons in which the energy of magnetic excitations may be of the order of the bandwidth. These should help discriminate between the itinerant and localized models

Evidence for non-coaxiality of ferrimagnetic and paramagnetic fabrics, developed during magma flow and cooling in a thick mafic dyke

Czech Academy of Sciences Publication Activity Database

Silva, P. F.; Marques, F. O.; Machek, Matěj; Henry, B.; Hirt, A. M.; Roxerová, Zuzana; Madureira, P.; Vratislav, S.

2014-01-01

Roč. 629, August (2014), s. 155-164 ISSN 0040-1951 Institutional support: RVO:67985530 Keywords : paramagnetic * ferrimagnetic * fabrics * microstructures * dyke emplacement * stress field Subject RIV: DB - Geology ; Mineralogy Impact factor: 2.872, year: 2014

Signatures of field induced spin polarization of neutron star matter in seismic vibrations of paramagnetic neutron star

International Nuclear Information System (INIS)

Bastrukov, S I; Yang, J; Podgainy, D V; Weber, F

2003-01-01

A macroscopic model of the dissipative magneto-elastic dynamics of viscous spin polarized nuclear matter is discussed in the context of seismic activity of a paramagnetic neutron star. The source of the magnetic field of such a star is attributed to Pauli paramagnetism of baryon matter promoted by a seed magnetic field frozen into the star in the process of gravitational collapse of a massive progenitor. Particular attention is given to the effect of shear viscosity of incompressible stellar material on the timing of non-radial torsional magneto-elastic pulsations of the star triggered by starquakes. By accentuating the fact that this kind of vibration is unique to the seismology of a paramagnetic neutron star we show that the high-frequency modes decay faster than the low-frequency modes. The obtained analytic expressions for the period and relaxation time of this mode, in which the magnetic susceptibility and viscosity enter as input parameters, are then quantified by numerical estimates for these parameters taken from early and current works on transport coefficients of dense matter. It is found that the effect of viscosity is crucial for the lifetime of magneto-torsion vibrations but it does not appreciably affect the periods of this seismic mode which fall in the realm of periods of pulsed emission of soft gamma-ray repeaters and anomalous x-ray pulsars - young super-magnetized neutron stars, radiating, according to the magnetar model, at the expense of the magnetic energy release. Finally, we present arguments that the long periodic pulsed emission of these stars in a quiescent regime of radiation can be interpreted as a manifestation of weakly damped seismic magneto-torsion vibrations exhibiting the field induced spin polarization of baryon matter

Comparison of neutron and gamma irradiation effects on KU1 fused silica monitored by electron paramagnetic resonance

Energy Technology Data Exchange (ETDEWEB)

Bravo, D. [Department Fisica de Materiales, Universidad Autonoma de Madrid, E-28049 Madrid (Spain)], E-mail: david.bravo@uam.es; Lagomacini, J.C. [Department Fisica de Materiales, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Leon, M.; Martin, P. [Materiales para Fusion, CIEMAT, Avda. Complutense 22, E-28040 Madrid (Spain); Martin, A. [Department Fisica e Instalaciones, ETS Arquitectura UPM, E-28040 Madrid (Spain); Lopez, F.J. [Department Fisica de Materiales, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Ibarra, A. [Materiales para Fusion, CIEMAT, Avda. Complutense 22, E-28040 Madrid (Spain)

2009-06-15

Electron paramagnetic resonance (EPR) studies have been carried out on KU1 fused silica irradiated with neutrons at fluences 10{sup 21} and 10{sup 22} n/m{sup 2}, and gamma-ray doses up to 12 MGy. The effects of post-irradiation thermal annealing treatments, up to 850 deg. C, have also been investigated. Paramagnetic oxygen-related defects (POR and NBOHC) and E'-type defects have been identified and their concentration has been measured as a function of neutron fluence, gamma dose and post-irradiation annealing temperature. It is found that neutrons at the highest fluence generate a much higher concentration of defects (mainly E' and POR, both at concentrations about 5 x 10{sup 18} spins/cm{sup 3}) than gamma irradiations at the highest dose (mainly E' at a concentration about 4 x 10{sup 17} spins/cm{sup 3}). Moreover, for gamma-irradiated samples a lower treatment temperature (about 400 deg. C) is required to annihilate most of the observed defects than for neutron-irradiated ones (about 600 deg. C)

Nonlinear magnetoelectric effect and magnetostriction in piezoelectric CsCuCl{sub 3} in paramagnetic and antiferromagnetic states

Energy Technology Data Exchange (ETDEWEB)

Kharkovskiy, A. I., E-mail: akharkovskiy@inbox.ru [International Laboratory of High Magnetic Fields and Low Temperatures, Gajowicka 95, 53-421 Wrocław (Poland); L.F. Vereshchagin Institute for High Pressure Physics RAS, 142190 Troitsk, Moscow (Russian Federation); Shaldin, Yu. V. [International Laboratory of High Magnetic Fields and Low Temperatures, Gajowicka 95, 53-421 Wrocław (Poland); Institute for Crystallography RAS, Lenin' s Avenue 59, 119333 Moscow (Russian Federation); Nizhankovskii, V. I. [International Laboratory of High Magnetic Fields and Low Temperatures, Gajowicka 95, 53-421 Wrocław (Poland)

2016-01-07

The direct nonlinear magnetoelectric (ME) effect and the magnetostriction of piezoelectric CsCuCl{sub 3} single crystals were comprehensively studied over a wide temperature range in stationary magnetic fields of up to 14 T. The direct nonlinear ME effect measurements were also performed in pulsed magnetic fields up to 31 T, at liquid helium temperature in the antiferromagnetic (AF) state for the crystallographic direction in which effect has the maximum value. The nonlinear ME effect was quadratic in the paramagnetic state for the whole range of magnetic fields. In the AF state the phase transition between different configurations of spins manifested itself as plateau-like peculiarity on the nonlinear ME effect. The nonlinear ME effect was saturated by the phase transition to the spin-saturated paramagnetic state. Two contributions to the nonlinear ME effects in CsCuCl{sub 3} were extracted from the experimental data: the intrinsic ME effect originated from the magnetoelectric interactions, and the extrinsic one, which resulted from a magnetostriction-induced piezoelectric effect.

Magnetic resonance imaging using paramagnetic contrast agents in the clinical evaluation of myocardial infarction. Chapter 15

International Nuclear Information System (INIS)

Dijkman, P.R.M. van; Wall, E.E. van der

1992-01-01

MRI is noninvasive and specific method for production of high resolution tomographic images in blocks of 3D information. Apart from scintigraphic techniques and computed tomography for evaluation of myocardial ischemia and infarcts, MRI has emerged as a new diagnostic technique to study the extent of anatomical and functional abnormalities in patients with coronary artery disease. Conventional noncontrast MRI can identify acute-infarcted myocardial areas, although the difficulty in identifying myocardial ischemia and infarct with noncontrast MRI suggests a potential role for contrast enhanced MRI. Use of the paramagnetic contrast agent gadolinium diethylene triamine pentaacetic acid (Gd-DTPA) improves depiction of infarcted myocardium on T1-weighted spin -echo MR images that are obtained soon after acute myocardial infarction. This is of particular interest for the estimation of myocardial infarct size. Furthermore, ultrafast subsecond imaging, in combination with Gd-DTPA, offers the potential to analyze cardiac first pass and myocardial perfusion. The development of nontoxic paramagnetic contrast agents which are selectively taken up by viable myocardium would be helpful in assessing the presence of ischemic/infarcted myocardium salvage by MRI following reperfusion. (author). 58 refs., 6 figs

Through-Space Paramagnetic NMR Effects in Host-Guest Complexes: Potential Ruthenium(III) Metallodrugs with Macrocyclic Carriers.

Science.gov (United States)

Chyba, Jan; Novák, Martin; Munzarová, Petra; Novotný, Jan; Marek, Radek

2018-04-05

The potential of paramagnetic ruthenium(III) compounds for use as anticancer metallodrugs has been investigated extensively during the past several decades. However, the means by which these ruthenium compounds are transported and distributed in living bodies remain relatively unexplored. In this work, we prepared several novel ruthenium(III) compounds with the general structure Na + [ trans-Ru III Cl 4 (DMSO)(L)] - (DMSO = dimethyl sulfoxide), where L stands for pyridine or imidazole linked with adamantane, a hydrophobic chemophore. The supramolecular interactions of these compounds with macrocyclic carriers of the cyclodextrin (CD) and cucurbit[ n]uril (CB) families were investigated by NMR spectroscopy, X-ray diffraction analysis, isothermal titration calorimetry, and relativistic DFT methods. The long-range hyperfine NMR effects of the paramagnetic guest on the host macrocycle are related to the distance between them and their relative orientation in the host-guest complex. The CD and CB macrocyclic carriers being studied in this account can be attached to a vector that attracts the drug-carrier system to a specific biological target and our investigation thus introduces a new possibility in the field of targeted delivery of anticancer metallodrugs based on ruthenium(III) compounds.

Paramagnetic limiting of the upper critical field of the layered organic superconductor κ-(BEDT-TTF)2Cu(SCN)2

International Nuclear Information System (INIS)

Zuo, F.; Brooks, J.S.; McKenzie, R.H.; Schlueter, J.A.; Williams, J.M.

2000-01-01

We report detailed measurements of the interlayer magnetoresistance of the layered organic superconductor κ-(BEDT-TTF) 2 Cu(SCN) 2 for temperatures down to 0.5 K and fields up to 30 T. The upper critical field is determined from the resistive transition for a wide range of temperatures and field directions. For magnetic fields parallel to the layers, the upper critical field increases approximately linearly with decreasing temperature. The upper critical field at low temperatures is compared to the Pauli paramagnetic limit, at which singlet superconductivity should be destroyed by the Zeeman splitting of the electron spins. The measured value is comparable to a value for the paramagnetic limit calculated from thermodynamic quantities but exceeds the limit calculated from BCS theory. The angular dependence of the upper critical field shows a cusplike feature for fields close to the layers, consistent with decoupled layers.

Gigantic magnetoelectric effect caused by magnetic-field-induced canted antiferromagnetic-paramagnetic transition in quasi-two-dimensional Ca2CoSi2O7 crystal

Science.gov (United States)

Akaki, M.; Tozawa, J.; Akahoshi, D.; Kuwahara, H.

2009-05-01

We have investigated the magnetic and dielectric properties of Ca2CoSi2O7 crystal. The dielectricity and magnetism of Ca2CoSi2O7 are strongly coupled below a canted antiferromagnetic transition temperature (TN). Magnetic fields induce electric polarization below TN. Interestingly, the magnetic-field-induced electric polarization is detected even without poling electric fields. Below TN, a canted antiferromagnetic-paramagnetic transition is induced by magnetic fields. The large magnetocapacitance is observed around TN. The origin of the large magnetocapacitance is due to the magnetic-field-induced the canted antiferromagnetic-paramagnetic transition.

Evaluation by electronic paramagnetic resonance of the number of free radicals produced in irradiated rat bone

International Nuclear Information System (INIS)

Marble, G.; Valderas, R.

1966-01-01

The number of long half-life free radicals created by gamma irradiation in the bones of the rat has been determined from the electrons paramagnetic resonance spectrum. This number decreases slowly with time (calculated half life: 24 days). It is proportional to the dose of gamma radiation given to the rat. The method could find interesting applications in the field of biological dosimetry. (authors) [fr

THz Electron Paramagnetic Resonance / THz Spectroscopy at BESSY II

Directory of Open Access Journals (Sweden)

Karsten Holldack

2016-02-01

Full Text Available The THz beamline at BESSY II employs high power broadband femto- to picosecond long THz pulses for magneto-optical THz and FIR studies. A newly designed set-up exploits the unique properties of ultrashort THz pulses generated by laser-energy modulation of electron bunches in the storage ring or alternatively from compressed electron bunches. Experiments from 0.15 to 5 THz (~ 5 – 150 cm-1 may be conducted at a user station equipped with a fully evacuated high resolution FTIR spectrometer (0.0063 cm-1, lHe cooled bolometer detectors, a THz TDS set-up and different sample environments, including a superconducting high field magnet (+11 T - 11T with variable temperature insert (1.5 K – 300 K, a sample cryostat and a THz attenuated total reflection chamber.  Main applications are Frequency Domain Fourier transform THz-Electron Paramagnetic Resonance (FD-FT THz-EPR, THz-FTIR spectroscopy and optical pump - THz probe time domain spectroscopy (TDS, with sub-ps time resolution.

A magnetic trap for living cells suspended in a paramagnetic buffer

Science.gov (United States)

Winkleman, Adam; Gudiksen, Katherine L.; Ryan, Declan; Whitesides, George M.; Greenfield, Derek; Prentiss, Mara

2004-09-01

This manuscript describes the fabrication and use of a three-dimensional magnetic trap for diamagnetic objects in an aqueous solution of paramagnetic ions; this trap uses permanent magnets. It demonstrates trapping of polystyrene spheres, and of various types of living cells: mouse fibroblast (NIH-3T3), yeast (Saccharomyces cerevisiae), and algae (Chlamydomonas reinhardtii). For a 40mM solution of gadolinium (III) diethylenetriaminepentaacetic acid (Gd .DTPA) in aqueous buffer, the smallest cell (particle) that could be trapped had a radius of ˜2.5μm. The trapped particle and location of the magnetic trap can be translated in three dimensions by independent manipulation of the permanent magnets. This letter a1so characterizes the biocompatibility of the trapping solution.

Chemistry of paramagnetic and diamagnetic contrast agents for Magnetic Resonance Imaging and Spectroscopy

International Nuclear Information System (INIS)

Perez-Mayoral, Elena; Negri, Viviana; Soler-Padros, Jordi; Cerdan, Sebastian; Ballesteros, Paloma

2008-01-01

We provide a brief overview of the chemistry and most relevant properties of paramagnetic and diamagnetic contrast agents (CAs) for Magnetic Resonance Imaging and Magnetic Resonance Spectroscopic Imaging. Paramagnetic CAs for MRI consist mainly of Gd(III) complexes from linear or macrocyclic polyaminopolycarboxylates. These agents reduce, the relaxation times T 1 and T 2 of the water protons in a concentration dependent manner, increasing selectively MRI contrast in those regions in which they accumulate. In most instances they provide anatomical information on the localization of lesions and in some specific cases they may allow to estimate some physiological properties of tissues including mainly vascular performance. Because of its ability to discriminate easily between normal and diseased tissue, extracellular pH (pH e ) has been added recently, to the battery of variables amenable to MRI investigation. A variety of Gd(III) containing macrocycles sensitive to pH, endogenous or exogenous polypeptides or even liposomes have been investigated for this purpose, using the pH dependence of their relaxivity or magnetization transfer rate constant (chemical exchange saturation transfer, CEST). Many environmental circumstances in addition to pH affect, however, relaxivity or magnetization transfer rate constants of these agents, making the results of pH measurements by MRI difficult to interpret. To overcome these limitations, our laboratory synthesized and developed a novel series of diamagnetic CAs for Magnetic Resonance Spectroscopic Imaging, a new family of monomeric and dimeric imidazolic derivatives able to provide unambiguous measurements of pH e , independent of water relaxivity, diffusion or exchange

Chemistry of paramagnetic and diamagnetic contrast agents for Magnetic Resonance Imaging and Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Perez-Mayoral, Elena [Laboratorio de Sintesis Organica e Imagen Molecular por Resonancia Magnetica, Facultad de Ciencias, UNED, Paseo Senda del Rey 9, E-28040 Madrid (Spain); Departamento de Quimica Inorganica y Quimica Tecnica, Facultad de Ciencias, UNED, Paseo Senda del Rey 9, E-28040 Madrid (Spain); Negri, Viviana; Soler-Padros, Jordi [Laboratorio de Sintesis Organica e Imagen Molecular por Resonancia Magnetica, Facultad de Ciencias, UNED, Paseo Senda del Rey 9, E-28040 Madrid (Spain); Cerdan, Sebastian [Laboratorio de Imagen Espectroscopica por Resonancia Magnetica (LIERM), Instituto de Investigaciones Biomedicas ' Alberto Sols' , CSIC/UAM, c/Arturo Duperier 4, E-28029 Madrid (Spain); Ballesteros, Paloma [Laboratorio de Sintesis Organica e Imagen Molecular por Resonancia Magnetica, Facultad de Ciencias, UNED, Paseo Senda del Rey 9, E-28040 Madrid (Spain)], E-mail: pballesteros@ccia.uned.es

2008-09-15

We provide a brief overview of the chemistry and most relevant properties of paramagnetic and diamagnetic contrast agents (CAs) for Magnetic Resonance Imaging and Magnetic Resonance Spectroscopic Imaging. Paramagnetic CAs for MRI consist mainly of Gd(III) complexes from linear or macrocyclic polyaminopolycarboxylates. These agents reduce, the relaxation times T{sub 1} and T{sub 2} of the water protons in a concentration dependent manner, increasing selectively MRI contrast in those regions in which they accumulate. In most instances they provide anatomical information on the localization of lesions and in some specific cases they may allow to estimate some physiological properties of tissues including mainly vascular performance. Because of its ability to discriminate easily between normal and diseased tissue, extracellular pH (pH{sub e}) has been added recently, to the battery of variables amenable to MRI investigation. A variety of Gd(III) containing macrocycles sensitive to pH, endogenous or exogenous polypeptides or even liposomes have been investigated for this purpose, using the pH dependence of their relaxivity or magnetization transfer rate constant (chemical exchange saturation transfer, CEST). Many environmental circumstances in addition to pH affect, however, relaxivity or magnetization transfer rate constants of these agents, making the results of pH measurements by MRI difficult to interpret. To overcome these limitations, our laboratory synthesized and developed a novel series of diamagnetic CAs for Magnetic Resonance Spectroscopic Imaging, a new family of monomeric and dimeric imidazolic derivatives able to provide unambiguous measurements of pH{sub e}, independent of water relaxivity, diffusion or exchange.

Investigations of a new nanostructured Si-material by spectral response and electron paramagnetic resonance

Energy Technology Data Exchange (ETDEWEB)

Kuznicki, Z.T.; Ley, M. [Laboratoire PHASE, CNRS UPR 292, 23 rue du Loess, F-67037 Strasbourg cedex 2 (France); Turek, P.; Bernard, M. [Institut Charles Sadron, CNRS UPR 22, 6 rue Boussingault, F-67083 Strasbourg cedex (France)

2002-08-01

Electron spin resonance (or electron paramagnetic resonance) was applied to analyze multi-interface solar cells with an active amorphized substructure inserted in the emitter. The nanostructure was realized by P ion implantation followed by an adequate thermal treatment to yield very sharp a-Si/c-Si heterointerfaces. The authors have investigated especially the substructure and the transition zones between the two Si phases, which is particularly interesting because of the stress induced by the density difference of the two Si phases. (Abstract Copyright[2002], Wiley Periodicals, Inc.)

Transforming from paramagnetism to room temperature ferromagnetism in CuO by ball milling

Directory of Open Access Journals (Sweden)

Daqiang Gao

2011-12-01

Full Text Available In this work, we experimentally demonstrate that it is possible to induce ferromagnetism in CuO by ball milling without any ferromagnetic dopant. The magnetic measurements indicate that paramagnetic CuO is driven to the ferromagnetic state at room temperature by ball milling gradually. The saturation magnetization of the milled powders is found to increase with expanding the milling time and then decrease by annealing under atmosphere. The fitted X-ray photoelectron spectroscopy results indicate that the observed induction and weaken of the ferromagnetism shows close relationship with the valence charged oxygen vacancies (Cu1+-VO in CuO.

Novel Synthesis of Slightly Fluorinated Graphene Quantum Dots with Luminescent and Paramagnetic Properties through Thermal Cutting of Fluorinated Graphene

Science.gov (United States)

Feng, Qian; Xiao, Wenqing; Zheng, Yongping; Lin, Yuda; Li, Jiaxin; Ye, Qingying; Huang, Zhigao

2018-01-01

A novel approach has been developed to synthesize slightly fluorinated graphene quantum dots (GQDs-F) through thermal cutting of highly fluorinated graphene. The fluorinated graphene with substantial structure defects is fragile and is readily attacked. The direct evaporation of abundant CFn (n = 2, 3) groups near structure defects lead to the loss of adjacent skelton C atoms, and the fluorinated graphene can be thermally cut into GQDs-F with a relatively uniform nanosize in pyrolysis at 810 K. The GQDs-F with a low F/C atomic ratio of ca. 0.03 exhibit excitation wavelength-dependent properties with multicolor photoluminescence (PL) from blue to green. At the same time, F adatoms that are most likely located at the edges of GQDs-F have a high efficiency of introducing paramagnetic centres, and GQDs-F show a strong paramagnetism because of sp3-type defects and magnetic zigzag edges. The graphene quantum dots with such multimodal capabilities should have great applied value in material science. PMID:29316730

Magnetic Circular X-ray Dichroism Study of Paramagnetic and Anti-Ferromagnetic States in SrFeO3 Using a 10-T Superconducting Magnet

International Nuclear Information System (INIS)

Okamoto, J.; Mamiya, K.; Fujimori, S.-I.; Okane, T.; Saitoh, Y.; Muramatsu, Y.; Fujimori, A.; Ishiwata, S.; Takano, M.

2004-01-01

Magnetic circular x-ray dichroism (MCXD) measurements in Fe 2p absorption have been done on SrFeO3, which shows a spiral anti-ferromagnetism, by using a 10-T superconducting magnet. Finite MCXD structures have been observed under magnetic field of 8 T even in the paramagnetic and anti-ferromagnetic states. The intensity of the MCXD structure at hv ∼ 710 eV increases linearly as magnetic field increases linearly and the total magnetic moments estimated by MCXD sum rules roughly corresponds to the magnetization measured by SQUID measurements. MCXD study of paramagnetic and/or anti-ferromagnetic samples can be done by using a superconducting magnet that generates a strong magnetic field enough to induce finite magnetization

High-resolution mapping of 1D and 2D dose distributions using X-band electron paramagnetic resonance imaging

International Nuclear Information System (INIS)

Kolbun, N.; Lund, E.; Adolfsson, E.; Gustafsson, H.

2014-01-01

Electron paramagnetic resonance imaging (EPRI) was performed to visualise 2D dose distributions of homogeneously irradiated potassium dithionate tablets and to demonstrate determination of 1D dose profiles along the height of the tablets. Mathematical correction was applied for each relative dose profile in order to take into account the inhomogeneous response of the resonator using X-band EPRI. The dose profiles are presented with the spatial resolution of 0.6 mm from the acquired 2D images; this value is limited by pixel size, and 1D dose profiles from 1D imaging with spatial resolution of 0.3 mm limited by the intrinsic line-width of potassium dithionate. In this paper, dose profiles from 2D reconstructed electron paramagnetic resonance (EPR) images using the Xepr software package by Bruker are focussed. The conclusion is that using potassium dithionate, the resolution 0.3 mm is sufficient for mapping steep dose gradients if the dosemeters are covering only ±2 mm around the centre of the resonator. (authors)

Electron paramagnetic resonance of atomic hydrogen (H0) centers in pink tourmaline from Brazil

International Nuclear Information System (INIS)

Camargo, M.B.

1985-01-01

A model for explaining the atom of hydrogen (H 0 ) in pink tourmaline irradiated with gamma rays is presented. The concentration of H 0 was evaluated and the H 0 lines using the electron paramagnetic resonance were analysed. The g factor and the hyperfine interaction constant were measured with accuracy and determined by matrix diagonalization of spin hamiltonian in vetor space of four dimensions, followed by an iterative calculation with quick convergence the local electric field produced by charges in the lattice was calculated and compared with the value obtained experimentally. (M.C.K.) [pt

Al-doped MgB_2 materials studied using electron paramagnetic resonance and Raman spectroscopy

International Nuclear Information System (INIS)

Bateni, Ali; Somer, Mehmet; Erdem, Emre; Repp, Sergej; Weber, Stefan

2016-01-01

Undoped and aluminum (Al) doped magnesium diboride (MgB_2) samples were synthesized using a high-temperature solid-state synthesis method. The microscopic defect structures of Al-doped MgB_2 samples were systematically investigated using X-ray powder diffraction, Raman spectroscopy, and electron paramagnetic resonance. It was found that Mg-vacancies are responsible for defect-induced peculiarities in MgB_2. Above a certain level of Al doping, enhanced conductive properties of MgB_2 disappear due to filling of vacancies or trapping of Al in Mg-related vacancy sites.

Improving the calculation of electron paramagnetic resonance hyperfine coupling tensors for d-block metals

DEFF Research Database (Denmark)

Hedegård, Erik Donovan; Kongsted, Jacob; Sauer, Stephan P. A.

2012-01-01

Calculation of hyperfine coupling constants (HFCs) of Electron Paramagnetic Resonance from first principles can be a beneficial compliment to experimental data in cases where the molecular structure is unknown. We have recently investigated basis set convergence of HFCs in d-block complexes...... and obtained a set of basis functions for the elements Sc–Zn, which were saturated with respect to both the Fermi contact and spin-dipolar components of the hyperfine coupling tensor [Hedeg°ard et al., J. Chem. Theory Comput., 2011, 7, pp. 4077-4087]. Furthermore, a contraction scheme was proposed leading...

Theory of ortho-para conversion in hydrogen adsorbed on metal and paramagnetic surfaces at low temperatures

International Nuclear Information System (INIS)

Yucel, S.

1989-01-01

In order to explain the experimental results on Cu(100), Ag(111), Ag thin films, graphite, and H 2 bubbles in Cu, the ortho-para conversion rates of H 2 and D 2 adsorbed on metal and paramagnetic surfaces at low temperatures have been considered. The conversion rates due to magnetic dipole-dipole, Fermi contact, and spin-orbit interaction between the conduction electrons, and nuclear spins of H 2 (D 2 ) are calculated to elucidate the role of the metal surface. Although the rates on clean metal surfaces are found to be too slow to account for the observed rates on Ag, they may explain the catalytic conversion on H 2 bubble surfaces at 1.3 K. Additionally, effects of impurities and defects on the surface are investigated by calculating the conversion rate in two-dimensional solid D 2 (H 2 ) by emission of one (two) phonon(s). Fast conversion rates observed on Ag and graphite surfaces as well as on the surfaces of H 2 bubbles may be accounted for by paramagnetic impurities or defects. On Grafoil, both in (√3 x √3)R30 0 commensurate and incommensurate solid phase, a temperature-independent conversion rate is predicted if the mobility of the molecules is high enough to prevent concentration gradients

Multiplex immunoassay for persistent organic pollutants in tilapia: comparison of imaging- and flow cytometry-based platforms using spectrally encoded paramagnetic microspheres

NARCIS (Netherlands)

Meimaridou, A.; Haasnoot, W.; Shelver, W.L.; Franek, M.; Nielen, M.W.F.

2013-01-01

Recent developments in spectrally encoded microspheres (SEMs)-based technologies provide high multiplexing possibilities. Most SEMs-based assays require a flow cytometer with sophisticated fluidics and optics. A new imaging super-paramagnetic SEMs-based alternative platform transports SEMs with

Magnetic nanoparticle imaging using multiple electron paramagnetic resonance activation sequences

International Nuclear Information System (INIS)

Coene, A.; Dupré, L.; Crevecoeur, G.

2015-01-01

Magnetic nanoparticles play an important role in several biomedical applications such as hyperthermia, drug targeting, and disease detection. To realize an effective working of these applications, the spatial distribution of the particles needs to be accurately known, in a non-invasive way. Electron Paramagnetic Resonance (EPR) is a promising and sensitive measurement technique for recovering these distributions. In the conventional approach, EPR is applied with a homogeneous magnetic field. In this paper, we employ different heterogeneous magnetic fields that allow to stabilize the solution of the associated inverse problem and to obtain localized spatial information. A comparison is made between the two approaches and our novel adaptation shows an average increase in reconstruction quality by 5% and is 12 times more robust towards noise. Furthermore, our approach allows to speed up the EPR measurements while still obtaining reconstructions with an improved accuracy and noise robustness compared to homogeneous EPR

Magnetic resonance tomography of the orbit: First experiences with the paramagnetic contrast medium gadolinium-DTPA

International Nuclear Information System (INIS)

Markl, A.; Vogl, T.; Scheidhauer, K.; Riedel, K.G.; Oeckler, R.

1986-01-01

In 21 patients with orbital mass lesions MRI was performed before and after administration of paramagnetic contrast medium, gadolinium-DPTA. In comparison to the plain scan the differentiation of the tumorous tissue against the surrounding structures was improved after application of contrast medium despite a partially moderate increase in signal intensity. Especially highly vascular tumors and vessel diseases show a significant contrast enhancement. With increasing experience in larger number of patients a tissue differentiation seems to be possible. (orig.) [de

Electron paramagnetic resonance and neutron activation study of lanthanide ions behaviour in fluorite. Application to the geochemical study of Montroc and Burc veins (Tarn)

International Nuclear Information System (INIS)

Meary, Alain

1983-01-01

In order to obtain a better understanding of fluorite deposits, rare earth impurities have been analyzed for a large number of samples taken from cross-sections of several low temperature hydrothermal veins; two types of measurements have been used: Electron Paramagnetic Resonance (EPR) and Neutron Activation Analysis (NAA). This enabled us to measure a 'deficit of spins' relative to the total lanthanide concentration, this deficit reveals that the paramagnetic center observed by EPR is not the only mode of incorporation. For Gd no marked deficit is observed; that is the ratio of spin concentrations to total concentration [Gd 3+ ]/[Gd total ] is close to 1 in all the samples; on the other hand, the ratios [Eu 2+ ]/[Eu total ], [Ce 3- F i - ]/[Ce total ], and [Yb 3+ ]/ [Yb total ] exhibit large variations. The first result suggests that the major part of the lanthanides in the samples is incorporated in the crystal lattice and that clustering of lanthanides ions is not important. Deficit of spins observed for Ce and Nd are probably due to the dissociation of paramagnetic complexes Ce 3+ -F i - and Nd 3+ -F i - ; for Eu, it may be attributed to the oxidized state Eu 3+ . Moreover, the sign and the amplitude of the anomaly exhibited by Eu in the normalized lanthanides spectra may be correlated with the majority valence state of Eu in the crystal: a marked positive anomaly belongs to a deficit of paramagnetic divalent Eu and, inversely, if divalent Eu is the majority valence state, the Eu anomaly appears to be negative. The results obtained for the Montroc vein are consistent with a model involving discontinuous injections of hydrothermal solutions. They may be connected to variations of oxygen fugacity arising from cooling of these solutions and from precipitation of sulfides during fluorite precipitation. (author) [fr

Theoretical description of the properties of magnetization fluctuations in the vicinity of phase transition from paramagnetic phase to ferromagnetic phase with domain structure

International Nuclear Information System (INIS)

Wasilewski, W.

1983-08-01

This paper presents a theoretical description of the phase transition from a paramagnetic phase P to the homogeneous and domain structure ferromagnetic phases within the phenomenological theory of phase transitions

The dependence of magnetic ordering temperature in amorphous semiconductors on paramagnetic centre concentration

International Nuclear Information System (INIS)

Khokhlov, A.F.; Mashin, A.I.; Satanin, A.M.

1981-01-01

In silicon amorphized by ion implantation (a-Si) the dependence of magnetic ordering temperature (theta) on localized spin concentration (Nsub(s)) is studied by EPR method. Nsub(s) changes by varying the Ne + ion dose from 6x10 14 to 2x10 17 cm -2 and sample annealing. From the comparison of the data obtained with literature ones conclusions are made about the existence of two critical values of Nsub(s) in a-Si (approximately 10 19 and approximately 2x10 20 cm -3 ), when a transition occurs from paramagnetism to antiferromagnetism (at T < theta) and from antiferromagnetism to ferromagnetism, respectively. (author)

Detection and characterisation of radicals using electron paramagnetic resonance (EPR) spin trapping and related methods

DEFF Research Database (Denmark)

Davies, Michael Jonathan

2016-01-01

Electron paramagnetic resonance (EPR) spectroscopy (also known as electron spin resonance, ESR, or electron magnetic resonance, EMR, spectroscopy) is often described as the “gold standard” for the detection and characterisation of radicals in chemical, biological and medical systems. The article...... reviews aspects of EPR spectroscopy and discusses how this methodology and related techniques can be used to obtain useful information from biological systems. Consideration is given to the direct detection of radicals, the use of spin traps and the detection of nitric oxide, and the advantages...

Time-dependent broken-symmetry density functional theory simulation of the optical response of entangled paramagnetic defects: Color centers in lithium fluoride

Science.gov (United States)

Janesko, Benjamin G.

2018-02-01

Parameter-free atomistic simulations of entangled solid-state paramagnetic defects may aid in the rational design of devices for quantum information science. This work applies time-dependent density functional theory (TDDFT) embedded-cluster simulations to a prototype entangled-defect system, namely two adjacent singlet-coupled F color centers in lithium fluoride. TDDFT calculations accurately reproduce the experimental visible absorption of both isolated and coupled F centers. The most accurate results are obtained by combining spin symmetry breaking to simulate strong correlation, a large fraction of exact (Hartree-Fock-like) exchange to minimize the defect electrons' self-interaction error, and a standard semilocal approximation for dynamical correlations between the defect electrons and the surrounding ionic lattice. These results motivate application of two-reference correlated ab initio approximations to the M-center, and application of TDDFT in parameter-free simulations of more complex entangled paramagnetic defect architectures.

Tunable interactions between paramagnetic colloidal particles driven in a modulated ratchet potential.

Science.gov (United States)

Straube, Arthur V; Tierno, Pietro

2014-06-14

We study experimentally and theoretically the interactions between paramagnetic particles dispersed in water and driven above the surface of a stripe patterned magnetic garnet film. An external rotating magnetic field modulates the stray field of the garnet film and generates a translating potential landscape which induces directed particle motion. By varying the ellipticity of the rotating field, we tune the inter-particle interactions from net repulsive to net attractive. For attractive interactions, we show that pairs of particles can approach each other and form stable doublets which afterwards travel along the modulated landscape at a constant mean speed. We measure the strength of the attractive force between the moving particles and propose an analytically tractable model that explains the observations and is in quantitative agreement with experiment.

Effects of thermal annealing on the radiation produced electron paramagnetic resonance spectra of bovine and equine tooth enamel: Fossil and modern

International Nuclear Information System (INIS)

Weeks, Robert A.; Bogard, James S.; Elam, J. Michael; Weinand, Daniel C.; Kramer, Andrew

2003-01-01

The concentration of stable radiation-induced paramagnetic states in fossil teeth can be used as a measure of sample age. Temperature excursions >100 deg. C, however, can cause the paramagnetic state clock to differ from the actual postmortem time. We have heated irradiated enamel from both fossilized bovid and modern equine (MEQ) teeth for 30 min in 50 deg. C increments from 100 to 300 deg. C, measuring the electron paramagnetic resonance (EPR) spectrum after each anneal, to investigate such effects. Samples were irradiated again after the last anneal, with doses of 300-1200 Gy from 60 Co photons, and measured. Two unirradiated MEQ samples were also annealed for 30 min at 300 deg. C, one in an evacuated EPR tube and the other in a tube open to the atmosphere, and subsequently irradiated. The data showed that hyperfine components attributed to the alanine radical were not detected in the irradiated MEQ sample until after the anneals. The spectrum of the MEQ sample heated in air and then irradiated was similar to that of the heat treated fossil sample. We conclude that the hyperfine components are due to sample heating to temperatures/times >100 deg. C/30 min and that similarities between fossil and MEQ spectra after the 300 deg. C/30 min MEQ anneal are also due to sample heating. We conclude that the presence of the hyperfine components in spectra of fossil tooth enamel indicate that such thermal events occurred either at the time of death, or during the postmortem history

Effects of thermal annealing on the radiation produced electron paramagnetic resonance spectra of bovine and equine tooth enamel: Fossil and modern

Science.gov (United States)

Weeks, Robert A.; Bogard, James S.; Elam, J. Michael; Weinand, Daniel C.; Kramer, Andrew

2003-06-01

The concentration of stable radiation-induced paramagnetic states in fossil teeth can be used as a measure of sample age. Temperature excursions >100 °C, however, can cause the paramagnetic state clock to differ from the actual postmortem time. We have heated irradiated enamel from both fossilized bovid and modern equine (MEQ) teeth for 30 min in 50 °C increments from 100 to 300 °C, measuring the electron paramagnetic resonance (EPR) spectrum after each anneal, to investigate such effects. Samples were irradiated again after the last anneal, with doses of 300-1200 Gy from 60Co photons, and measured. Two unirradiated MEQ samples were also annealed for 30 min at 300 °C, one in an evacuated EPR tube and the other in a tube open to the atmosphere, and subsequently irradiated. The data showed that hyperfine components attributed to the alanine radical were not detected in the irradiated MEQ sample until after the anneals. The spectrum of the MEQ sample heated in air and then irradiated was similar to that of the heat treated fossil sample. We conclude that the hyperfine components are due to sample heating to temperatures/times >100 °C/30 min and that similarities between fossil and MEQ spectra after the 300 °C/30 min MEQ anneal are also due to sample heating. We conclude that the presence of the hyperfine components in spectra of fossil tooth enamel indicate that such thermal events occurred either at the time of death, or during the postmortem history.

NATO Advanced Research Workshop on Nuclear Magnetic Resonance of Paramagnetic Macromolecules

CERN Document Server

1995-01-01

Since A. Kowalsky's first report of the spectrum of cytochrome c in 1965, interest in the detection, assignment and interpretation of paramagnetic molecules has surged, especially in the last decade. Two classes of systems have played a key role in the development of the field: heme proteins and iron-sulfur proteins. These two systems are unique in many respects, one of which is that they contain well-defined chromophores, each of which can be studied in detail outside the protein matrix. They are the most successfully studied macromolecules, and the first eight and last six of the seventeen contributions to this book deal with heme and/or iron-sulfur proteins. The middle three chapters survey the progress on, and significant promise of, more difficult systems which do not possess a chromophore, but which have nevertheless yielded remarkable insights into their structure.

Retrospective radiation dosimetry using electron paramagnetic resonance in canine dental enamel

International Nuclear Information System (INIS)

Khan, Rao F.H.; Pekar, J.; Rink, W.J.; Boreham, D.R.

2005-01-01

Electron paramagnetic resonance (EPR) biodosimetry of human tooth enamel has been widely used for measuring radiation doses in various scenarios. We have now developed EPR dosimetry in tooth enamel extracted from canines. Molars and incisors from canines were cleaned by processing in supersaturated aqueous potassium hydroxide solution. The dosimetric signal in canine tooth enamel was found to increase linearly as a function of laboratory added dose from 0.44±0.02 to 4.42±0.22 Gy. The gamma radiation sensitivity of the canine molar enamel was found to be comparable to that of human tooth enamel. The dosimetric signal in canine enamel has been found to be stable up to at least 6 weeks after in vitro irradiation. A dosimetric signal variation of 10-25% was observed for canines ranging from in age 3 years to 16 year old

Lanthanide paramagnetic probes for NMR spectroscopic studies of fast molecular conformational dynamics and temperature control. Effective six-site proton exchange in 18-crown-6 by exchange spectroscopy.

Science.gov (United States)

Babailov, Sergey P

2012-02-06

(1)H and (13)C NMR measurements are reported for the CDCl(3) and CD(2)Cl(2) solutions of [La(18-crown-6)(NO(3))(3)] (I), [Pr(18-crown-6) (NO(3))(3)] (II), [Ce(18-crown-6)(NO(3))(3)] (III), and [Nd(18-crown-6)(NO(3))(3)] (IV) complexes. Temperature dependencies of the (1)H NMR spectra of paramagnetic II-IV have been analyzed using the dynamic NMR (DNMR) methods for six-site exchange. Two types of conformational dynamic processes were identified (the first one is conditioned by interconversion of complex enantiomeric forms and pseudorotation of a macrocycle molecule upon the C(2) symmetry axis; the second one is conditioned by macrocycle molecule inversion). Application of exchange spectroscopy (2D-EXSY) of DNMR for investigation of this dynamic system (II-IV) simplifies the assignment of the NMR signals and represents the first experimental study of multisite exchange. In the present work, the methodology of paramagnetic 4f (Ce, Pr, and Nd) probe applications for the study of free-energy, enthalpy, and entropy changes in chemical exchange processes, as well as the advantages of this method in a comparison with DNMR studies of diamagnetic substances, is discussed. In particular, as a result of paramagnetic chemical shifts in 4f complexes, the range of measurable rate constants expands considerably compared to the analogous range in diamagnetic compounds. Coordination compounds investigated in the paper represent new types of thermometric NMR sensors and lanthanide paramagnetic probes for in situ temperature control in solution.

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.

Spectral analysis of paramagnetic centers induced in human tooth enamel by x-rays and gamma radiation

Science.gov (United States)

Kirillov, V. A.; Kuchuro, I. I.

2010-03-01

Based on study of spectral and relaxation characteristics, we have established that paramagnetic centers induced in tooth enamel by x-rays and gamma radiation are identical in nature. We show that for the same exposure dose, the intensity of the electron paramagnetic resonance (EPR) signal induced by x-radiation with effective energy 34 keV is about an order of magnitude higher than the amplitude of the signal induced by gamma radiation. We have identified a three-fold attenuation of the EPR signal along the path of the x-radiation from the buccal to the lingual side of a tooth, which is evidence that the individual had undergone diagnostic x-ray examination of the dentition or skull. We have shown that the x-ray exposure doses reconstructed from the EPR spectra are an order of magnitude higher than the applied doses, while the dose loads due to gamma radiation are equal to the applied doses. The data obtained indicate that for adequate reconstruction of individual absorbed doses from EPR spectra of tooth enamel in the population subjected to the combined effect of x-radiation and accidental external gamma radiation as a result of the disaster at the Chernobyl nuclear power plant, we need to take into account the contribution to the dose load from diagnostic x-rays in examination of the teeth, jaw, or skull.

Offline combination of pressurized fluid extraction and electron paramagnetic resonance spectroscopy for antioxidant activity of grape skin extracts assessment

Czech Academy of Sciences Publication Activity Database

Polovka, M.; Šťavíková, Lenka; Hohnová, Barbora; Karásek, Pavel; Roth, Michal

2010-01-01

Roč. 1217, č. 51 (2010), s. 7990-8000 ISSN 0021-9673 R&D Projects: GA ČR GA203/08/1536; GA MŠk LC06023 Institutional research plan: CEZ:AV0Z40310501 Keywords : pressurized fluid extraction * electron paramagnetic resonance spectroscopy * antioxidant activity Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 4.194, year: 2010

Subnanodimensional thermometrical NMR-sensors on the basis of lanthanide(III) paramagnetic complexes with EDTA for temperature control in aqueous media and magnetoresonance tomography

International Nuclear Information System (INIS)

Babajlov, S.P.

2008-01-01

It is proposed that temperature dependence of paramagnetic lanthanide-induced shifts (LIS) in NMR spectra on nuclei of EDTA type synthetic organic complexes in kinetically unstable compounds with paramagnetic lanthanide(III) cations is used for ascertaining the temperature of samples placed directly into a NMR spectrometer and formed on the basis of aqueous solutions of diverse chemical substances. It was revealed that complex [Ho III (EDTA)] can be used as an internal or an external thermometric NMR-sensor. For identification and control of temperature in a sample one can make use of LIS for individual signals from CH 2 groups (taken in relation to water or inner DCC standard signals). A higher temperature measurement accuracy (≤0.08 K) is attained by using LIS difference corresponding to the relevant nonequivalent CH 2 groups [ru

Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group

Science.gov (United States)

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

2018-05-01

We present a state interaction spin-orbit coupling method to calculate electron paramagnetic resonance g-tensors from density matrix renormalization group wavefunctions. We apply the technique to compute g-tensors for the TiF3 and CuCl42 - complexes, a [2Fe-2S] model of the active center of ferredoxins, and a Mn4CaO5 model of the S2 state of the oxygen evolving complex. These calculations raise the prospects of determining g-tensors in multireference calculations with a large number of open shells.

Al-doped MgB{sub 2} materials studied using electron paramagnetic resonance and Raman spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Bateni, Ali; Somer, Mehmet, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr [Department of Chemistry, Koç University, Rumelifeneri Yolu, Sariyer, Istanbul (Turkey); Erdem, Emre, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr; Repp, Sergej [Institut für Physikalische Chemie, Universität Freiburg, Albertstr. 21, Freiburg (Germany); Weber, Stefan [Institut für Physikalische Chemie, Universität Freiburg, Albertstr. 21, Freiburg (Germany); Freiburg Institute for Advanced Studies (FRIAS), Universität Freiburg, Albertstr. 19, Freiburg (Germany)

2016-05-16

Undoped and aluminum (Al) doped magnesium diboride (MgB{sub 2}) samples were synthesized using a high-temperature solid-state synthesis method. The microscopic defect structures of Al-doped MgB{sub 2} samples were systematically investigated using X-ray powder diffraction, Raman spectroscopy, and electron paramagnetic resonance. It was found that Mg-vacancies are responsible for defect-induced peculiarities in MgB{sub 2}. Above a certain level of Al doping, enhanced conductive properties of MgB{sub 2} disappear due to filling of vacancies or trapping of Al in Mg-related vacancy sites.

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

Magnetic resonance force microscopy of paramagnetic electron spins at millikelvin temperatures.

Science.gov (United States)

Vinante, A; Wijts, G; Usenko, O; Schinkelshoek, L; Oosterkamp, T H

2011-12-06

Magnetic resonance force microscopy (MRFM) is a powerful technique to detect a small number of spins that relies on force detection by an ultrasoft magnetically tipped cantilever and selective magnetic resonance manipulation of the spins. MRFM would greatly benefit from ultralow temperature operation, because of lower thermomechanical noise and increased thermal spin polarization. Here we demonstrate MRFM operation at temperatures as low as 30 mK, thanks to a recently developed superconducting quantum interference device (SQUID)-based cantilever detection technique, which avoids cantilever overheating. In our experiment, we detect dangling bond paramagnetic centres on a silicon surface down to millikelvin temperatures. Fluctuations of such defects are supposedly linked to 1/f magnetic noise and decoherence in SQUIDs, as well as in several superconducting and single spin qubits. We find evidence that spin diffusion has a key role in the low-temperature spin dynamics.

Evaluation of adriamycin nephropathy by an in vivo electron paramagnetic resonance

International Nuclear Information System (INIS)

Oteki, Takaaki; Nagase, Sohji; Yokoyama, Hidekatsu; Ohya, Hiroaki; Akatsuka, Takao; Tada, Mika; Ueda, Atsushi; Hirayama, Aki; koyama, Akio

2005-01-01

A rat model for human minimal change nephropathy was obtained by the intravenous injection of adriamycin (ADR) at 5 mg/kg. By using an in vivo electron paramagnetic resonance (EPR) spectrometer operating at 700 MHz, the temporal changes in signal intensities of a nitroxide radical, 4-hydroxyl-2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPOL), in the kidneys of rats with ADR nephropathy were investigated. The decay rate of the EPR signal intensity obtained in the kidney is indicative of the renal reducing ability. It was found that the reducing ability in the kidney declined on the 7th day after ADR administration and recovered after the 14th day. Impairment of the reducing ability occurred before the appearance of continuous urinary protein. The in vitro EPR study showed that this impairment of in vivo renal reducing ability is related to impairment of the reducing ability in the mitochondria

Monovacancy paramagnetism in neutron-irradiated graphite probed by 13C NMR.

Science.gov (United States)

Zhang, Z T; Xu, C; Dmytriieva, D; Molatta, S; Wosnitza, J; Wang, Y T; Helm, M; Zhou, Shengqiang; Kühne, H

2017-10-20

We report on the magnetic properties of monovacancy defects in neutron-irradiated graphite, probed by 13 C nuclear magnetic resonance spectroscopy. The bulk paramagnetism of the defect moments is revealed by the temperature dependence of the NMR frequency shift and spectral linewidth, both of which follow a Curie behavior, in agreement with measurements of the macroscopic magnetization. Compared to pristine graphite, the fluctuating hyperfine fields generated by the defect moments lead to an enhancement of the 13 C nuclear spin-lattice relaxation rate [Formula: see text] by about two orders of magnitude. With an applied magnetic field of 7.1 T, the temperature dependence of [Formula: see text] below about 10 K can well be described by a thermally activated form, [Formula: see text], yielding a singular Zeeman energy of ([Formula: see text]) meV, in excellent agreement with the sole presence of polarized, non-interacting defect moments.

Spin dynamics of EuS in the paramagnetic phase

International Nuclear Information System (INIS)

Chaudhury, R.; Shastry, B.S.

1988-07-01

The spin dynamics of the semiclassical Heisenberg model on the fcc lattice, with ferromagnetic interaction in the first neighbour shell, anti-ferromagnetic interaction in the second neighbour shell and which undergoes a ferromagnetic transition, is studied in the paramagnetic phase at the temperature 1.1 T c using the Monte-Carlo molecular dynamics technique. The important quantities calculated are the dynamic structure function S(q-vector,ω) and the spin auto-correlation function i (O)·S-vector i (t)>. Our results for S(q-vector,ω) show the existence of purely diffusive modes in the low q regime. For q-vector close to the zone boundary, our calculated S(q-vector,ω) shows multi-peaked structure, signifying damped propagating modes. This result disagrees with the theoretical predictions of Young and Shastry and also of Lindgard. Our results for S(q-vector,ω) in the entire q-vector-space are in good qualitative and quantitative agreement with the recent neutron scattering experiments of Boni et al. and also Bohn et al. Our calculated auto-correlation function shows a diffusive behaviour temporally. (author). 15 refs, 5 figs

Pulse-electron paramagnetic resonance of Cr.sup.3+./sup. centers in SrTiO.sub.3./sub..

Czech Academy of Sciences Publication Activity Database

Azamat, Dmitry; Dejneka, Alexandr; Lančok, Ján; Trepakov, Vladimír; Jastrabík, Lubomír; Badalyan, A. G.

2013-01-01

Roč. 113, č. 17 (2013), "174106-1"-"174106-6" ISSN 0021-8979 R&D Projects: GA MŠk(CZ) LM2011029; GA TA ČR TA01010517; GA ČR GAP108/12/1941 Grant - others:SAFMAT(XE) CZ.2.16/3.1.00/22132 Institutional support: RVO:68378271 Keywords : pulse-electron paramagnetic resonance * Cr3+ centers in SrTiO 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.185, year: 2013

Evidence of emerging Griffiths singularity in La{sub 0.5} Sr{sub 0.5} MnO{sub 3} nanocrystalline probed by magnetization and electron paramagnetic resonance

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiyuan [Department of Applied Physics, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Fan, Jiyu, E-mail: jiyufan@nuaa.edu.cn [Department of Applied Physics, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Xu, Lisa [Department of Applied Physics, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Tong, Wei [High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 (China); Hu, Dazhi [Department of Applied Physics, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); He, Xun [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Zhang, Lei; Pi, Li; Zhang, Yuheng [High Magnetic Field Laboratory, Chinese Academy of Sciences, Hefei 230031 (China)

2016-06-01

We present an investigation of Griffiths singularity in La{sub 0.5} Sr{sub 0.5} MnO{sub 3} nanocrystalline by means of magnetic susceptibility and electron paramagnetic resonance (EPR). An unusual platform was found in paramagnetic region. Based on the analysis of EPR spectrum and magnetization variation across the whole temperature range of phase transition, we confirm it is due to the presence of Griffiths singularity rather than a superparamagnetic state in the nanocrystalline system. Such a singularity phase is constituted with some correlated ferromagnetic clusters which embed in paramagnetic matrix. Although they form ferromagnetic spin correlation, the system do not yield any spontaneous magnetization. According to core–shell model, the emergence of Griffiths singularity can be considered due to the presence of local ferromagnetic fluctuations originated from surface spin disorder as the sample size is confined to nanoscale. - Highlights: • Griffiths singularity rather than superparamagnetism occurs in La{sub 0.5}Sr{sub 0.5}MnO{sub 3} nanoparticals. • The sample’s size reduced to nanoscale results in the short-range ferromagnetic interaction. • The core-shell model is used to understand the formation of Griffiths phase in nanometer La{sub 0.5}Sr{sub 0.5}MnO{sub 3}.

Detection of helium-containing paramagnetic complex at decay of tritium incorporated in HTO and DTO

International Nuclear Information System (INIS)

Legasov, V.A.; Usatyj, A.F.; Ibragimov, R.A.; Myasoedov, N.F.

1979-01-01

EPR technique was used to study the paramagnetic centers appearing during long-term storage of frozen (77 K) non-deoxygenated light (H 2 O) and heavy (D 2 O) water containing 3.5% vol. highly active HTO (29 ci/cm 3 ), so that the resulting activity of the sample (0.1 ml) was about 100 mci. For comparison, the same samples containing no HTO but irradiated by Co-60 rays were studied under identical conditions. A schematic of the processes involved in tritium decay in DTO (or HTO) in the aqueous matrix frozen at low temperatures was suggested

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.

A superheterodyne spectrometer for electronic paramagnetic. Resonance; Spectrometre superheterodyne de resonance paramagnetique electronique

Energy Technology Data Exchange (ETDEWEB)

Laffon, J L [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1963-12-15

After a few generalities about electron paramagnetic resonance, a consideration of different experimental techniques authorises the choice of a particular type of apparatus. An EPR superheterodyne spectrometer built in the laboratory and having a novel circuit is described in detail. With this apparatus, many experimental results have been obtained and some of these are described as example. (author) [French] Apres quelques generalites sur le phenomene de resonance paramagnetique electronique, une synthese des differentes techniques experimentales, permet de fixer le choix d'un type d'appareillage. Un spectrometre de RPE superheterodyne realise en laboratoire et comportant un circuit original est expose dans le detail. Cet appareil a permis de nombreux resultats experimentaux dont quelques-uns sont decrits a titre d'exemple. (auteur)

Strongly driven electron spins using a Ku band stripline electron paramagnetic resonance resonator

Science.gov (United States)

Yap, Yung Szen; Yamamoto, Hiroshi; Tabuchi, Yutaka; Negoro, Makoto; Kagawa, Akinori; Kitagawa, Masahiro

2013-07-01

This article details our work to obtain strong excitation for electron paramagnetic resonance (EPR) experiments by improving the resonator's efficiency. The advantages and application of strong excitation are discussed. Two 17 GHz transmission-type, stripline resonators were designed, simulated and fabricated. Scattering parameter measurements were carried out and quality factor were measured to be around 160 and 85. Simulation results of the microwave's magnetic field distribution are also presented. To determine the excitation field at the sample, nutation experiments were carried out and power dependence were measured using two organic samples at room temperature. The highest recorded Rabi frequency was rated at 210 MHz with an input power of about 1 W, which corresponds to a π/2 pulse of about 1.2 ns.

Electronic Paramagnetic Resonance of irradiated nails: challenges for a dosimetry in radiation accidents

International Nuclear Information System (INIS)

Giannoni, Ricardo A.; Rodrigues Junior, Orlando

2014-01-01

The purpose of this work is to characterize samples of human nails exposed to high doses of radiation, applying the technique of Electron Paramagnetic Resonance (EPR). The objective is to establish a dose response study that allow determine the absorbed dose by exposed individuals in situations of radiological accidents, in a retrospective form. Samples of human nails were collected and afterward irradiated with gamma radiation, and received dose of 20 Gy. The EPR measurement performed on the samples, before irradiation, permitted the signal identification of the components associated with effects caused by the mechanical stress during the fingernail cutting, the so-called mechanically induced signal (MIS). After the irradiation, different species of free radicals were identified, the so-called radiation induced signal (RIS). (author)

Thermophysical properties of paramagnetic Fe from first principles

Science.gov (United States)

Ehteshami, Hossein; Korzhavyi, Pavel A.

2017-12-01

A computationally efficient, yet general, free-energy modeling scheme is developed based on first-principles calculations. Finite-temperature disorder associated with the fast (electronic and magnetic) degrees of freedom is directly included in the electronic structure calculations, whereas the vibrational free energy is evaluated by a proposed model that uses elastic constants to calculate average sound velocity of the quasiharmonic Debye model. The proposed scheme is tested by calculating the lattice parameter, heat capacity, and single-crystal elastic constants of α -, γ -, and δ -iron as functions of temperature in the range 1000-1800 K. The calculations accurately reproduce the well-established experimental data on thermal expansion and heat capacity of γ - and δ -iron. Electronic and magnetic excitations are shown to account for about 20% of the heat capacity for the two phases. Nonphonon contributions to thermal expansion are 12% and 10% for α - and δ -Fe and about 30% for γ -Fe. The elastic properties predicted by the model are in good agreement with those obtained in previous theoretical treatments of paramagnetic phases of iron, as well as with the bulk moduli derived from isothermal compressibility measurements [N. Tsujino et al., Earth Planet. Sci. Lett. 375, 244 (2013), 10.1016/j.epsl.2013.05.040]. Less agreement is found between theoretically calculated and experimentally derived single-crystal elastic constants of γ - and δ -iron.

Electron paramagnetic resonance study on the ionizing radiation induced defects of the tooth enamel hydroxyapatite; Estudo por ressonancia paramagnetica eletronica de defeitos induzidos pelas radiacoes ionizantes na hidroxiapatita do esmalte dentario

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Liana Macedo de

1995-01-01

Hydroxyapatite is the main constituent of calcified tissues. Defects induced by ionizing radiations in this biomineral can present high stability and then, these are used as biological markers in radiological accidents, irradiated food identifying and geological and archaeological dating. In this work, paramagnetic centers induced on the enamel of the teeth by environmental ionizing radiation, are investigated by electron paramagnetic resonance (EPR). Decay thermal kinetic presents high complexity and shows the formation of different electron ligation energy centers and structures 65 refs., 40 figs., 5 tabs.

Paramagnetism and antiferromagnetic interactions in single-phase Fe-implanted ZnO

CERN Document Server

Pereira, Lino Miguel da Costa; Correia, João Guilherme; Van Bael, M J; Temst, Kristiaan; Vantomme, André; Araújo, João Pedro

2013-01-01

As the intrinsic origin of the high temperature ferromagnetism often observed in wide-gap dilute magnetic semiconductors becomes increasingly debated, there is a growing need for comprehensive studies on the single-phase region of the phase diagram of these materials. Here we report on the magnetic and structural properties of Fe-doped ZnO prepared by ion implantation of ZnO single crystals. A detailed structural characterization shows that the Fe impurities substitute for Zn in ZnO in a wurtzite Zn$_{1−x}$Fe$_{x}$O phase which is coherent with the ZnO host. In addition, the density of beam-induced defects is progressively decreased by thermal annealing up to 900$^{\\circ}$C, from highly disordered after implantation to highly crystalline upon subsequent annealing. Based on a detailed analysis of the magnetometry data, we demonstrate that isolated Fe impurities occupying Zn substitutional sites behave as localized paramagnetic moments down to 2$^{\\circ}$K, irrespective of the Fe concentration and the density...

Gamma-Irradiated seafoods: identification and dosimetry by electron paramagnetic resonance spectroscopy

International Nuclear Information System (INIS)

Desrosiers, M.F.

1989-01-01

Electron paramagnetic resonance (EPR) spectroscopy was used to measure the production of free radicals induced by 60Co γ-rays in shrimp exoskeleton, mussel shells, and fish bones. The EPR spectrum for irradiated shrimp shell was dose dependent and appeared to be derived from more than one radical. The major component of the radiation-induced spectrum resulted from radical formation in chitin, assigned by comparison with irradiated N-acetyl-D-glucosamine. Other measurements include the total yield of radicals formed as a function of dose and the longevity of the radiation-induced EPR signal. Similar measurements were made for mussel shells and fish bones, and the results are compared and discussed. It was concluded that irradiated shrimp (with shell attached) could definitely be identified by this technique; however, precise determination of absorbed dose was less straightforward. Positive identification of irradiated fish bones was also clearly distinguishable, and dosimetry by EPR appeared to be feasible. (author)

Monovacancy paramagnetism in neutron-irradiated graphite probed by 13C NMR.

Science.gov (United States)

Zhang, Zhi Tao; Xu, C; Dmytriieva, Daryna; Molatta, Sebastian; Wosnitza, J; Wang, Y T; Helm, Manfred; Zhou, Shengqiang; Kuehne, Hannes

2017-09-18

We report on the magnetic properties of monovacancy defects in neutron-irradiated graphite, probed by $^{13}$C nuclear magnetic resonance spectroscopy. The bulk paramagnetism of the defect moments is revealed by the temperature dependence of the NMR frequency shift and spectral linewidth, both of which follow a Curie behavior, in agreement with measurements of the macroscopic magnetization. Compared to pristine graphite, the fluctuating hyperfine fields generated by the defect moments lead to an enhancement of the $^{13}$C nuclear spin-lattice relaxation rate $1/T_{1}$ by about two orders of magnitude. With an applied magnetic field of 7.1 T, the temperature dependence of $1/T_{1}$ below about 10 K can well be described by a thermally activated form, $1/T_{1}\\propto\\exp(-\\Delta/k_{B}T)$, yielding a singular Zeeman energy of ($0.41\\pm0.01$) meV, in excellent agreement with the sole presence of polarized, non-interacting defect moments. © 2017 IOP Publishing Ltd.

Prospects for quantum computing with an array of ultracold polar paramagnetic molecules.

Science.gov (United States)

Karra, Mallikarjun; Sharma, Ketan; Friedrich, Bretislav; Kais, Sabre; Herschbach, Dudley

2016-03-07

Arrays of trapped ultracold molecules represent a promising platform for implementing a universal quantum computer. DeMille [Phys. Rev. Lett. 88, 067901 (2002)] has detailed a prototype design based on Stark states of polar (1)Σ molecules as qubits. Herein, we consider an array of polar (2)Σ molecules which are, in addition, inherently paramagnetic and whose Hund's case (b) free-rotor pair-eigenstates are Bell states. We show that by subjecting the array to combinations of concurrent homogeneous and inhomogeneous electric and magnetic fields, the entanglement of the array's Stark and Zeeman states can be tuned and the qubit sites addressed. Two schemes for implementing an optically controlled CNOT gate are proposed and their feasibility discussed in the face of the broadening of spectral lines due to dipole-dipole coupling and the inhomogeneity of the electric and magnetic fields.

Paramagnetic Nanocrystals: Remarkable Lanthanide-Doped Nanoparticles with Varied Shape, Size, and Composition.

Science.gov (United States)

Holmberg, Rebecca J; Aharen, Tomoko; Murugesu, Muralee

2012-12-20

Magnetic nanoparticles have been developed in recent years with applications in unique and crucial areas such as biomedicine, data storage, environmental remediation, catalysis, and so forth. NaYF4 nanoparticles were synthesized and isolated with lanthanide dopant percentages, confirmed by ICP-OES measurements, of Er, Yb, Tb, Gd, and Dy that were in agreement with the targeted ratios. SEM images showed a distinct variation in particle size and shape with dopant type and percentage. HRTEM and XRD studies confirmed the particles to be crystalline, possessing both α and β phases. Magnetic measurements determined that all of the nanoparticles were paramagnetic and did not exhibit a blocking temperature from 2 to 300 K. The multifunctional properties of these nanoparticles make them suitable for many applications, such as multimodal imaging probes, up-conversion fluorescent markers, as well as MRI contrast agents.

Investigation of the biochemical state of paramagnetic ions in vivo using the magnetic field dependence of 1/T1 of tissue protons (NMRD profile): applications to contrast agents for magnetic resonance imaging

International Nuclear Information System (INIS)

Koenig, S.H.; Brown, R.D. III; Spiller, M.; Wolf, G.L.

1988-01-01

Nuclear magnetic relaxation dispersion (NMRD) profiles of protons are obtained in homogenous aqueous solutions of the paramagnetic ions, Mn 2+ and Gd 3+ and their chelate and macromolecular complexes in vitro, giving information regarding the biochemical state of these ions. Similarly NMRD profiles of protons of excised rabbit tissues containing Mn 2+ and Gd 3+ complexes are obtained. These NMRD profiles are shown to be very useful for determining the fate of potentially useful paramagnetic NMR imaging contrast agents in vivo. (U.K.)

Electron-accepting surface properties of ceria-(praseodymia)-zirconia solids modified by Y 3+ or La 3+ studied by paramagnetic probe method

Science.gov (United States)

Ikryannikova, Larisa N.; Markaryan, Goar L.; Kharlanov, Andrey N.; Lunina, Elena V.

2003-02-01

EPR paramagnetic probe method with 2,2,6,6-tetramethylpiperidin- N-oxyl (TEMPO) as a probe has been applied to study of electron-accepting properties of the surface of (Y, La 0.1)Ce xZr 1- xO 2- y ( x=0.1-0.7), Y 0.1Pr 0.3Zr 0.6O 2- y and Y 0.1Pr 0.15Ce 0.15Zr 0.7O 2- y mixed oxides. Two types of acceptor sites—coordinatively unsaturated (cus) cations Zr 4+ and Ce 4+—have been revealed on the CeO 2-ZrO 2 surface after thermovacuum treatment (820 K). The relative amounts and "strength" of these centers were evaluated on the basis of EPR spectra analysis. An introduction of trivalent Y 3+ or La 3+ cations reduces the amount of electron-acceptor sites belonging to cerium cations, stabilizing ones as Ce 3+. A formation of very strong electron-accepting sites (Pr 4+ cus cations) able to form charge transfer complexes with adsorbed TEMPO on the surface of praseodymia-containing samples after thermovacuum treatment was found out. At the same time electron-accepting ability of Zr 4+ cationic sites on Y 0.1Pr 0.3Zr 0.6O 2- y and Y 0.1Pr 0.15Ce 0.15Zr 0.7O 2- y surfaces decreases in comparison with ceria-zirconia one. The generally used IR spectroscopy technique with CO as a probe molecule appeared to be considerably less informative for such systems characterization, due to their high catalytic activity to carbon monoxide. A formation of paramagnetic Zr 3+ ions in ceria-zirconia mixed oxides has been investigated by EPR spectroscopy technique. The different states of this paramagnetic ion are realized in the complex oxides depending on Ce/Zr ratio.

Paramagnetic behavior at room temperature of Zn{sub 1−x}Mn{sub x}Te nanocrystals grown in a phosphate glass matrix by the fusion method

Energy Technology Data Exchange (ETDEWEB)

Silva, Alessandra S., E-mail: alessandra@mestrado.ufu.br [Universidade Federal de Uberlândia, Instituto de Física, Laboratório de Novos Materiais Isolantes e Semicondutores (LNMIS), Uberlândia CEP: 38400-902 (Brazil); Franco, Adolfo; Pelegrini, Fernando [Instituto de Física, Universidade Federal de Goiás, C. P. 131, 74001-970 Goiânia, GO (Brazil); Dantas, Noelio O. [Universidade Federal de Uberlândia, Instituto de Física, Laboratório de Novos Materiais Isolantes e Semicondutores (LNMIS), Uberlândia CEP: 38400-902 (Brazil)

2015-10-25

This work reports on the synthesis and characterization of Zn{sub 1−x}Mn{sub x}Te nanocrystals (NCs) with Mn doping concentration x varying from 0.000 to 0.800. Physical properties of samples were studied by transmission electron microscopy, magnetic force microscopy, vibrating sample magnetometry and electron paramagnetic resonance spectroscopy. Room temperature experiments revealed the size of NCs, the growth of magnetization and non-linear dependence of magnetic susceptibility on the concentration of Mn{sup 2+} ions; samples with low concentrations revealed the presence of ions in the interior and near the surface of the NCs. The results obtained confirm the paramagnetic behavior of Zn{sub 1−x}Mn{sub x}Te NCs at room temperature.

Electron paramagnetic resonance and dynamic nuclear polarization of char suspensions: surface science and oximetry

International Nuclear Information System (INIS)

Clarkson, R.B.; Odintsov, B.M.; Ceroke, P.J.; Ardenkjaer-Larsen, J.H.; Fruianu, M.; Belford, R.L.

1998-01-01

Carbon chars have been synthesized in our laboratory from a variety of starting materials, by means of a highly controlled pyrolysis technique. These chars exhibit electron paramagnetic resonance (EPR) line shapes which change with the local oxygen concentration in a reproducible and stable fashion; they can be calibrated and used for oximetry. Biological stability and low toxicity make chars good sensors for in vivo measurements. Scalar and dipolar interactions of water protons at the surfaces of chars may be utilized to produce dynamic nuclear polarization (DNP) of the 1 H nuclear spin population in conjunction with electron Zeeman pumping. Low-frequency EPR, DNP and DNP-enhanced MRI all show promise as oximetry methods when used with carbon chars. (author)

On some paramagnetic species induced in natural calcites by β and γ-rays irradiations

International Nuclear Information System (INIS)

Rossi, A.; Danon, J.

1985-01-01

The ESR absorption lines of calcite speleothems are studied both as monocrystals and powders, after energetic β-rays or γ-rays irradiation. Both Kinds of irradiation produce same lines. Angular variation studies of monocrystals revealed four induced paramagnetic species stable at room temperature. Three of these were attributed to CO 3 sup(---) group, CO 2 sup(-) groups with axial and orthorhombic symetry and a fourth one could be due to the CO 3 sup(-) group. Powder spectra show that these lines, are activated by irradiation in all speleothems we studied and can be present either in natural ESR spectra. Their relationships to the lines usually considered for ESR dating are discussed. (Author) [pt

On-chip immunomagnetic separation of bacteria by in-flow dynamic manipulation of paramagnetic beads

Science.gov (United States)

Ahmed, Shakil; Noh, Jong Wook; Hoyland, James; de Oliveira Hansen, Roana; Erdmann, Helmut; Rubahn, Horst-Günter

2016-11-01

Every year, millions of people all over the world fall ill due to the consumption of unsafe food, where consumption of contaminated and spoiled animal origin product is the main cause for diseases due to bacterial growth. This leads to an intense need for efficient methods for detection of food-related bacteria. In this work, we present a method for integration of immunomagnetic separation of bacteria into microfluidic technology by applying an alternating magnetic field, which manipulates the paramagnetic beads into a sinusoidal path across the whole microchannel, increasing the probability for bacteria capture. The optimum channel geometry, flow rate and alternating magnetic field frequency were investigated, resulting in a capture efficiency of 68 %.

Development of an electron paramagnetic resonance methodology for studying the photo-generation of reactive species in semiconductor nano-particle assembled films

Science.gov (United States)

Twardoch, Marek; Messai, Youcef; Vileno, Bertrand; Hoarau, Yannick; Mekki, Djamel E.; Felix, Olivier; Turek, Philippe; Weiss, Jean; Decher, Gero; Martel, David

2018-06-01

An experimental approach involving electron paramagnetic resonance is proposed for studying photo-generated reactive species in semiconductor nano-particle-based films deposited on the internal wall of glass capillaries. This methodology is applied here to nano-TiO2 and allows a semi-quantitative analysis of the kinetic evolutions of radical production using a spin scavenger probe.

Electron paramagnetic resonance and Raman spectroscopy studies on carbon-doped MgB2 superconductor nanomaterials

International Nuclear Information System (INIS)

Bateni, Ali; Somer, Mehmet; Erdem, Emre; Repp, Sergej; Weber, Stefan; Acar, Selcuk; Kokal, Ilkin; Häßler, Wolfgang

2015-01-01

Undoped and carbon-doped magnesium diboride (MgB 2 ) samples were synthesized using two sets of mixtures prepared from the precursors, amorphous nanoboron, and as-received amorphous carbon-doped nanoboron. The microscopic defect structures of carbon-doped MgB 2 samples were systematically investigated using X-ray powder diffraction, Raman and electron paramagnetic resonance spectroscopy. Mg vacancies and C-related dangling-bond active centers could be distinguished, and sp 3 -hybridized carbon radicals were detected. A strong reduction in the critical temperature T c was observed due to defects and crystal distortion. The symmetry effect of the latter is also reflected on the vibrational modes in the Raman spectra

Proton nuclear magnetic resonance in paramagnetic CoCl2.6H2O

International Nuclear Information System (INIS)

Oravcova, J.; Murin, J.; Rakos, M.; Olcak, D.

1978-01-01

Nuclear magnetic resonance (NMR) is studied of protons of the crystal water of paramagnetic CoCl 2 .6H 2 O. The measurements were carried out on powdered samples at room temperature, for values of the external magnetic field ranging from 0.3 to 1.0 T. The NMR signals of protons of the crystal water exhibit asymmetric shape which changes with the applied external magnetic field. We found that the second moment of the resonance line shows a linear dependence on the square of the induction of the externally applied magnetic field. The cause of the asymmetry of the NMR line of protons of the crystal water and the dependence of the second moment of the resonance line on the induction of external magnetic field are interpreted. (author)

Utility decay rates of T1-weighted magnetic resonance imaging contrast based on redox-sensitive paramagnetic nitroxyl contrast agents

International Nuclear Information System (INIS)

Matsumoto, Ken-ichiro

2009-01-01

The availability and applicability of the combination of paramagnetic nitroxyl contrast agent and T 1 -weighted gradient echo (GE)-based dynamic magnetic resonance imaging (MRI) measurement for redox imaging are described. The time courses of T 1 -weighted GE MRI signal intensities according to first-order paramagnetic loss of a nitroxyl contrast agent were simulated for several experimental conditions. The apparent decay rate calculated based on decreasing T 1 -weighted MRI contrast (k MRI ) can show an approximate value of the original decay rate (k true ) discretionarily given for simulation with suitable experimental parameters. The difference between k MRI and k true can be sufficiently small under T 1 -weighted spoiled gradient echo (SPGR) scan conditions (repetition time=75 ms, echo time=3 ms, and flip angle=45deg), with a conventional redox-sensitive nitroxyl contrast agent, such as 4-hydroxy-2,2,6,6,-tetramethylpiperidine-N-oxyl (TEMPOL) and/or 3-carbamoyl-2,2,5,5-tetramethylpyrrolidine-N-oxyl (carbamoyl-PROXYL), and with intravenous (i.v.) doses of below 1.5 γmol/g body weight (b.w.) for mice. The results of this simulation suggest that the k MRI of nitroxyl contrast agents can be the primary index of redox status under biological conditions. (author)

Changes in mitochondrial functioning with electromagnetic radiation of ultra high frequency as revealed by electron paramagnetic resonance methods.

Science.gov (United States)

Burlaka, Anatoly; Selyuk, Marina; Gafurov, Marat; Lukin, Sergei; Potaskalova, Viktoria; Sidorik, Evgeny

2014-05-01

To study the effects of electromagnetic radiation (EMR) of ultra high frequency (UHF) in the doses equivalent to the maximal permitted energy load for the staffs of the radar stations on the biochemical processes that occur in the cell organelles. Liver, cardiac and aorta tissues from the male rats exposed to non-thermal UHF EMR in pulsed and continuous modes were studied during 28 days after the irradiation by the electron paramagnetic resonance (EPR) methods including a spin trapping of superoxide radicals. The qualitative and quantitative disturbances in electron transport chain (ETC) of mitochondria are registered. A formation of the iron-nitrosyl complexes of nitric oxide (NO) radicals with the iron-sulphide (FeS) proteins, the decreased activity of FeS-protein N2 of NADH-ubiquinone oxidoreductase complex and flavo-ubisemiquinone growth combined with the increased rates of superoxide production are obtained. (i) Abnormalities in the mitochondrial ETC of liver and aorta cells are more pronounced for animals radiated in a pulsed mode; (ii) the alterations in the functioning of the mitochondrial ETC cause increase of superoxide radicals generation rate in all samples, formation of cellular hypoxia, and intensification of the oxide-initiated metabolic changes; and (iii) electron paramagnetic resonance methods could be used to track the qualitative and quantitative changes in the mitochondrial ETC caused by the UHF EMR.

Retrospective dosimetry of nail by Electron Paramagnetic Resonance; Dosimetria retrospectiva de unha por Ressonancia Paramagnetica Eletronica

Energy Technology Data Exchange (ETDEWEB)

Giannoni, Ricardo A., E-mail: giannoni@ird.gov.br [Instituto de Radioprotecao e Dosimetria (IRD/CNEN-RJ), Rio de Janeiro, RJ (Brazil); Rodrigues Junior, Orlando, E-mail: rodrijr@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2015-07-01

The purpose of this study is to characterize samples of human nails, subjected to irradiation of high doses through Technical Electron Paramagnetic Resonance (EPR). The goal is to establish a dose/response relationship in order to assess dose levels absorbed by individuals exposed in radiation accidents situations, retrospectively. Samples of human nails were irradiated with gamma radiation, and received a dose of 20 Gy. EPR measurements performed on samples before irradiation identified EPR signals associated with defects caused by the mechanical action of the sample collection. After irradiation other species of free radicals, associated with the action of gamma radiation, have been identified.

Dependence of adenine isolation efficiency on the chain length evidenced using paramagnetic particles and voltammetry measurements

International Nuclear Information System (INIS)

Huska, Dalibor; Adam, Vojtech; Trnkova, Libuse; Kizek, Rene

2009-01-01

The main aim of this work was to study the dependence of oligoadenine isolation efficiency on the chain length by using paramagnetic particles covered by homo-deoxythymidines ((dT)25) with subsequent detection by adsorptive transfer technique coupled with square wave voltammetry. For this purpose, the oligonucleotides of the length A5, A10, A15, A20, A25, A30, A35, A40 and poly(A) in various concentrations were chosen. We determined that the isolation efficiency defined as 'isolated oligonucleotide concentration'/'given oligonucleotide concentration' was about 55% on average. Sequence A25 demonstrated the best binding onto microparticles surface.

Low-temperature thermal decomposition of heavy petroleum distillates: interconnection between the electrical properties and concentration of paramagnetic centres

Science.gov (United States)

Dolomatov, M.; Gafurov, M.; Rodionov, A.; Mamin, G.; González, L. Miquel; Vakhin, A.; Petrov, A.; Bakhtizin, R.; Khairudinov, I.; Orlinskii, S.

2018-05-01

Changes of paramagnetic centers (PC) concentration in petroleum dispersed systems (PDS) are studied in the process of low-temperature thermolysis. Complex investigation of physicochemical, rheological and electrophysical properties of high-boiling oil fractions is performed. Based on the analysis of the experimental results it can be concluded that the PDS under investigation can be regarded as amorphous broadband organic semiconductors for which PC plays a role of dopant. It shows the perspectives of the asphaltenes usage as a basis for the photovoltaic devices.

Using an electron paramagnetic resonance method for testing motor oils

Energy Technology Data Exchange (ETDEWEB)

Krais, S; Tkac, T

1982-01-01

Using an ER-9 spectrometer from the Karl Zeiss company, the relative effectiveness is studied of antioxidation additives. Motor oils of the E group, M6AD, 465, M6AD, 466, M6AD 467, 15 W/40, S-3/2 M/4, R-950, which contain the antioxidation additive were tested in Petter AV-1 motors at a temperature of 50 degrees for 120 hours and Petter AVB at a temperature of 90 degrees for 53 hours. To measure the concentration of free radicals of the antioxidation additives one part of 2,2-diphenyl-1-picrylhydrazine (I), which forms stable dimagnetic products with the radicals of the antioxidation additives was introduced into each three parts of the oil. The reduction in the intensity of the signal of I was the measure of the radical concentration. The spectrum was taken for 1 to 2 minutes. The graphs of the dependence of the electron paramagnetic resonance on the test time and the concentration of I are built. The beginning and end of the induction period of oxidation of the oils and the change in the hourly activity of the PP was recorded.

Paramagnetic resonance of Mn4+ and Mn2+ centers in lanthanum gallate single crystals

Science.gov (United States)

Vazhenin, V. A.; Potapov, A. P.; Guseva, V. B.; Artyomov, M. Yu.

2010-03-01

An increase in the manganese concentration in lanthanum gallate in the range 0.5-5.0% has been found to result in a complete replacement of individual Mn4+ ions by Mn2+ ions. The relative concentrations and binding energies of individual Mn4+, Mn3+, and Mn2+ ions have been determined. The spin Hamiltonians of the Mn2+ and Mn4+ centers in the rhombohedral and orthorhombic phases, respectively, have been constructed and the orientation of the principal axes of the fine-structure tensor of Mn4+ at room temperature has been found. The possibility of using electron paramagnetic resonance for determining the rotation angles of oxygen octahedra of lanthanum gallate with respect to the perovskite structure has been discussed.

Substitutional HCN- molecular ions in KCN crystal: a paramagnetic probe in a ferroelastic material

International Nuclear Information System (INIS)

Weid, J.P. von der; Carmo, L.C.S. do; Ribeiro, S.C.

1978-01-01

The HCN - molecular ion was produced in single crystals of KCN: 10 -2 OH - irradiated by UV light at 77 K. The spin Hamiltonian parameters were measured at 60 K and the temperature dependence of the spectrum was investigated between 60 K and 170 K. This temperature dependence is explained by the rapid motion of the molecule with the increasing temperature and the elastic interaction of the molecule with the surrounding ions. Using the similarity between the paramagnetic HCN - molecule and the CN - ions of the host lattice a qualitative picture of the local phenomena occuring in the ferroelastic phase of KCN could be made and the energy of the elastic interaction between CN - was estimated of the order of 7 meV [pt

Change in the Magnetocapacity in the Paramagnetic Region in a Cation-Substituted Manganese Selenide

Science.gov (United States)

Aplesnin, S. S.; Sitnikov, M. N.; Zhivul'ko, A. M.

2018-04-01

The capacity and the dielectric loss tangent of a Gd x Mn1- x Se ( x ≤ 0.2) solid solution have been measured in the frequency range 1-300 kHz without a magnetic field and in a magnetic field of 8 kOe in the temperature range 100-450 K, and the magnetic moment of the solid solution has been measured in a field of 8.6 kOe. The magnetocapacity effect and the change in the magnetocapacity sign have been observed in room temperature in the paramagnetic region. A correlation of the changes in the dielectric permittivity and the magnetic susceptibility with temperature has been revealed. The magnetocapacity is described using the model with orbital electron ordering and the Maxwell-Wagner model.

Coordination functionalization of graphene oxide with tetraazamacrocyclic complexes of nickel(II): Generation of paramagnetic centers

Energy Technology Data Exchange (ETDEWEB)

Basiuk, Vladimir A., E-mail: basiuk@nucleares.unam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico); Department of Chemistry,Tufts University, 62 Talbot Avenue, Medford, MA 02155 (United States); Alzate-Carvajal, Natalia [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico); Henao-Holguín, Laura V. [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico); Rybak-Akimova, Elena V. [Department of Chemistry,Tufts University, 62 Talbot Avenue, Medford, MA 02155 (United States); Basiuk, Elena V., E-mail: elbg1111@gmail.com [Department of Chemistry,Tufts University, 62 Talbot Avenue, Medford, MA 02155 (United States); Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C.U., 04510 México D.F. (Mexico)

2016-05-15

Highlights: • [Ni(cyclam)]{sup 2+} and [Ni(tet b)]{sup 2+} cations coordinate to carboxylic groups of GO. • The coordination takes place under basic conditions in aqueous-based medium. • The coordination results in the conversion from low-spin to high-spin Ni(II). • Functionalized GO samples were characterized by various instrumental techniques. - Abstract: We describe a novel approach to functionalization of graphene oxide (GO) which allows for a facile generation of paramagnetic centers from two diamagnetic components. Coordination attachment of [Ni(cyclam)]{sup 2+} or [Ni(tet b)]{sup 2+} tetraazamacrocyclic cations to carboxylic groups of GO takes place under basic conditions in aqueous-based reaction medium. The procedure is very straightforward and does not require high temperatures or other harsh conditions. Changing the coordination geometry of Ni(II) from square-planar tetracoordinated to pseudooctahedral hexacoordinated brings about the conversion from low-spin to high-spin state of the metal centers. Even though the content of tetraazamacrocyclic complexes in functionalized GO samples was found to be relatively low (nickel content of ca. 1 wt%, as determined by thermogravimetric analysis, elemental analysis and energy dispersive X-ray spectroscopy), room temperature magnetic susceptibility measurements easily detected the appearance of paramagnetic properties in GO + [Ni(cyclam)] and GO + [Ni(tet b)] nanohybrids, with effective magnetic moments of 1.95 BM and 2.2 BM for, respectively. According to density functional theory calculations, the main spin density is localized at the macrocyclic complexes, without considerable extension to graphene sheet, which suggests insignificant ferromagnetic coupling in the nanohybrids, in agreement with the results of magnetic susceptibility measurements. The coordination attachment of Ni(II) tetraazamacrocycles to GO results in considerable changes in Fourier-transform infrared and X-ray photoelectron spectra

Time-resolved luminescence measurements of the magnetic field effect on paramagnetic photosensitizers in photodynamic reactions

Science.gov (United States)

Mermut, O.; Bouchard, J.-P.; Cormier, J.-F.; Desroches, P.; Diamond, K. R.; Fortin, M.; Gallant, P.; Leclair, S.; Marois, J.-S.; Noiseux, I.; Morin, J.-F.; Patterson, M. S.; Vernon, M.

2008-02-01

The development of multimodal molecular probes and photosensitizing agents for use in photodynamic therapy (PDT) is vital for optimizing and monitoring cytotoxic responses. We propose a combinatorial approach utilizing photosensitizing molecules that are both paramagnetic and luminescent with multimodal functionality to perturb, control, and monitor molecular-scale reaction pathways in PDT. To this end, a time-domain single photon counting lifetime apparatus with a 400 nm excitation source has been developed and integrated with a variable low field magnet (0- 350mT). The luminescence lifetime decay function was measured in the presence of a sweeping magnetic field for a custom designed photosensitizing molecule in which photoinduced electron transfer was studied The photosensitizer studied was a donor-acceptor complex synthesized using a porphyrin linked to a fullerene molecule. The magneto-optic properties were investigated for the free-base photosensitizer complex as well as those containing either diamagnetic (paired electron) or paramagnetic (unpaired electron) metal centers, Zn(II) and Cu(II). The magnetic field was employed to affect and modify the spin states of radical pairs of the photosensitizing agents via magnetically induced hyperfine and Zeeman effects. Since the Type 1 reaction pathway of an excited triplet state photosensitizer involves the production of radical species, lifetime measurements were conducted at low dissolved oxygen concentration (0.01ppm) to elucidate the dependence of the magnetic perturbation on the photosensitization mechanistic pathway. To optimize the magnetic response, a solvent study was performed examining the dependence of the emission properties on the magnetic field in solutions of varying dielectric constants. Lastly, the cytotoxicity in murine tumor cell suspensions was investigated for the novel porphyrin-fullerene complex by inducing photodynamic treatments and determining the associated cell survival.

Photoexcitation electron paramagnetic resonance studies on nickel-related defects in diamond

CERN Document Server

Pereira, R N; Neves, A J; Sobolev, N A

2003-01-01

Measurements of the electron paramagnetic resonance (EPR) upon photoexcitation are reported on Ni defects in diamonds grown with Ni-containing solvent/catalysts. The temperature dependence of the W8 EPR spectrum photoquenching shows that the relaxation of substitutional Ni sub s sup - upon electron ionization is very small, corroborating the interpretation that the previously reported photoinduced effects with thresholds at 2.5 and 3.0 eV correspond to two complementary photoionization transitions involving Ni sub s. Photoinduced behaviour of the NIRIM1 EPR centre favours the interstitial Ni sub i sup + model for this defect and suggests that the Ni sub i sup 0 sup / sup + level is located at 1.98 +- 0.03 eV below the conduction band. In N-doped diamond, Ni sub i is more likely to appear in the neutral state, undetectable by EPR, whereas at substitutional sites Ni sub s sup - is revealed. Observation of a strong AB2 EPR signal photoquenching and simultaneous detection of different spectral dependencies of the...

Paramagnetic Spin Correlations in CaFe2As2 Single Crystals

International Nuclear Information System (INIS)

Omar Diallo, Souleymane; Pratt, Daniel; Fernandes, Rafael; Tian, Wei; Zarestky, J.L.; Lumsden, Mark D.; Perring, T.G.; Broholm, C.; Ni, Ni; Budko, S.L.; Canfield, Paul; Li, Haifeng; Vaknin, D.; Kreyssig, A.; Goldman, A.I.; Mcqueeney, R.J.

2010-01-01

Magnetic correlations in the paramagnetic phase of CaFe2As2(TN=172 K) have been examined by means of inelastic neutron scattering from 180 K ( 1.05TN) up to 300 K (1.8TN). Despite the first-order nature of the magnetic ordering, strong but short-ranged antiferromagnetic (AFM) correlations are clearly observed. These correlations, which consist of quasielastic scattering centered at the wave vector QAFM of the low-temperature AFM structure, are observed up to the highest measured temperature of 300 K and at high energy transfer ( >60 meV). The L dependence of the scattering implies rather weak interlayer coupling in the tetragonal c direction corresponding to nearly two-dimensional fluctuations in the (ab) plane. The spin correlation lengths within the Fe layer are found to be anisotropic, consistent with underlying fluctuations of the AFM stripe structure. Similar to the cobalt-doped superconducting BaFe2As2 compounds, these experimental features can be adequately reproduced by a scattering model that describes short-ranged and anisotropic spin correlations with overdamped dynamics.

Observation of Conducting Structures in Detonation Nanodiamond Powder by Electron Paramagnetic Resonance

Science.gov (United States)

Binh, Nguyen Thi Thanh; Dolmatov, V. Yu.; Lapchuk, N. M.

2018-01-01

We have used electron paramagnetic resonance (EPR) to study high-purity detonation nanodiamond (DND) powders at room temperature. In recording the EPR signal with g factor 2.00247 and line width 0.890 mT, with automatic frequency control locking the frequency of the microwave generator (klystron) to the frequency of the experimental cavity, we observed a change in the shape of the EPR signal from the DND powder due to formation of an anisotropic electrically conducting structure in the powder. The electrical conductivity of the DND sample is apparent in the Dysonian EPR lineshape (strongly asymmetric signal with g factor 2.00146 and line width 0.281 mT) together with an abrupt shift of the baseline at the time of resonant absorption, and in the decrease in the cavity Q due to nonresonant microwave absorption. The observed effect can be explained by transition of the DND powder from a dielectric state to a state with metallic conductivity, due to spin ordering in a preferred direction.

Dynamics of the two-dimensional directed Ising model in the paramagnetic phase

Science.gov (United States)

Godrèche, C.; Pleimling, M.

2014-05-01

We consider the nonconserved dynamics of the Ising model on the two-dimensional square lattice, where each spin is influenced preferentially by its east and north neighbours. The single-spin flip rates are such that the stationary state is Gibbsian with respect to the usual ferromagnetic Ising Hamiltonian. We show the existence, in the paramagnetic phase, of a dynamical transition between two regimes of violation of the fluctuation-dissipation theorem in the nonequilibrium stationary state: a regime of weak violation where the stationary fluctuation-dissipation ratio is finite, when the asymmetry parameter is less than a threshold value, and a regime of strong violation where this ratio vanishes asymptotically above the threshold. This study suggests that this novel kind of dynamical transition in nonequilibrium stationary states, already found for the directed Ising chain and the spherical model with asymmetric dynamics, might be quite general. In contrast with the latter models, the equal-time correlation function for the two-dimensional directed Ising model depends on the asymmetry.

Paramagnetic scattering cross-sections of Nd and Dy at neutron wavelength between 0.5 A0 - 4 A0

International Nuclear Information System (INIS)

Maayouf, R.M.A.; Abdelkawy, A.; Adib, M.; Hamouda, I.

1984-01-01

The paramagnetic scattering cross-sections of Nd and Dy are calculated, for neutron wavelengths between 0.5-4 A, theoretically and deduced from available experimental data. The theoretical calculations are carried out using magnetic form factors deduced from Hartree-Fock radial wave functions for the 4 f electrons. The resulting theoretical curves of the paragnetic scattering cross-sections are compared with those deduced from data obtained using the transmission measurements. Both theoretical and experimental values found to be consistant

Design of a low temperature translation balance for the measurement of paramagnetic and diamagnetic susceptibilities

Energy Technology Data Exchange (ETDEWEB)

Mowry, G.S.

1979-05-01

A modified Foex and Forrer Translation Balance has been designed for measuring the paramagnetic and diamagnetic properties of materials over the temperature range 77-300/sup 0/K. The systems' temperature range can eventually be extended to 4.2/sup 0/K. The apparatus incorporates a vertical Dewar of Standard variety in addition to a horizontal Dewar for cooling the sample holder and adjacent horizontal supports. The design also allows for the placement of a thermocouple junction in direct contact with a sample. The balance sensitivity, defined as the change in displacement per unit applied force, is 0.0044 cm/dyne. The precision of the balance is +- .5% with an accuracy of 1.5%.

Effects of water on fingernail electron paramagnetic resonance dosimetry.

Science.gov (United States)

Zhang, Tengda; Zhao, Zhixin; Zhang, Haiying; Zhai, Hezheng; Ruan, Shuzhou; Jiao, Ling; Zhang, Wenyi

2016-09-01

Electron paramagnetic resonance (EPR) is a promising biodosimetric method, and fingernails are sensitive biomaterials to ionizing radiation. Therefore, kinetic energy released per unit mass (kerma) can be estimated by measuring the level of free radicals within fingernails, using EPR. However, to date this dosimetry has been deficient and insufficiently accurate. In the sampling processes and measurements, water plays a significant role. This paper discusses many effects of water on fingernail EPR dosimetry, including disturbance to EPR measurements and two different effects on the production of free radicals. Water that is unable to contact free radicals can promote the production of free radicals due to indirect ionizing effects. Therefore, varying water content within fingernails can lead to varying growth rates in the free radical concentration after irradiation-these two variables have a linear relationship, with a slope of 1.8143. Thus, EPR dosimetry needs to be adjusted according to the water content of the fingernails of an individual. When the free radicals are exposed to water, the eliminating effect will appear. Therefore, soaking fingernail pieces in water before irradiation, as many researchers have previously done, can cause estimation errors. In addition, nails need to be dehydrated before making accurately quantitative EPR measurements. © The Author 2016. Published by Oxford University Press on behalf of The Japan Radiation Research Society and Japanese Society for Radiation Oncology.

Super-paramagnetic core-shell material with tunable magnetic behavior by regulating electron transfer efficiency and structure stability of the shell

Directory of Open Access Journals (Sweden)

Wenyan Zhang

Full Text Available In this work, a spherical nano core-shell material was constructed by encapsulating Fe3O4 microsphere into conductive polymer-metal composite shell. The Fe3O4 microspheres were fabricated by assembling large amounts of Fe3O4 nano-crystals, which endowed the microspheres with super-paramagnetic property and high saturation magnetization. The polymer-metal composite shell was constructed by inserting Pt nano-particles (NPs into the conductive polymer polypyrrole (PPy. As size and dispersion of the Pt NPs has an important influence on their surface area and surface energy, it was effective to enlarge the interface area between PPy and Pt NPs, enhance the electron transfer efficiency of PPy/Pt composite shell, and reinforced the shell’s structural stability just by tuning the size and dispersion of Pt NPs. Moreover, core-shell structure of the materials made it convenient to investigate the PPy/Pt shell’s shielding effect on the Fe3O4 core’s magnetic response to external magnetic fields. It was found that the saturation magnetization of Fe3O4/PPy/Pt core-shell material could be reduced by 20.5% by regulating the conductivity of the PPy/Pt shell. Keywords: Super-paramagnetic, Conductivity, Magnetic shielding, Structural stability

Paramagnetic defects in KH{sub 2}PO{sub 4} crystals with high concentration of embedded TiO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Grachev, Valentin G., E-mail: grachev@physics.montana.edu; Tse, Romand; Malovichko, Galina I. [Physics Department, Montana State University, Bozeman, Montana 59717 (United States); Pritula, Igor M.; Bezkrovnaya, Olga N.; Kosinova, Anna V. [Institute for Single Crystals, NAS of Ukraine, Kharkiv (Ukraine)

2016-01-21

Qualitative transformations of spectra of Electron Paramagnetic Resonance, EPR, were found in KH{sub 2}PO{sub 4} crystals grown from liquor with 10{sup −5}–10{sup −1 }wt. % of anatase TiO{sub 2} nanoparticles in comparison with nominally pure KH{sub 2}PO{sub 4}. The nanoparticles have larger segregation coefficient for prismatic parts of the crystals than for pyramidal ones. Significant decrease in resonance absorption, complete disappearance of EPR lines of Fe{sup 3+} and Cr{sup 3+} centers, and appearance of four weak lines of equal intensities together with broad asymmetric lines with g-factors about 2.07–2.5 was observed in pyramidal parts grown with concentration of TiO{sub 2} nanoparticles larger than the threshold value 10{sup −2 }wt. %. The four lines were attributed to non-controlled impurity As substituted for P. In the presence of TiO{sub 2} nanoparticles, non-paramagnetic AsO{sub 4}{sup 3−} clusters trap electrons becoming AsO{sub 4}{sup 4−}. Disappearance of Fe{sup 3+} and Cr{sup 3+} centers was explained by their recharge to “EPR-silent” states and/or pairing at the surface of TiO{sub 2} nanoparticles.

The Src SH2 domain interacts dynamically with the focal adhesion kinase binding site as demonstrated by paramagnetic NMR spectroscopy.

Science.gov (United States)

Lindfors, Hanna E; Drijfhout, Jan Wouter; Ubbink, Marcellus

2012-06-01

The interaction between the tyrosine kinases Src and focal adhesion kinase (FAK) is a key step in signaling processes from focal adhesions. The phosphorylated tyrosine residue 397 in FAK is able to bind the Src SH2 domain. To establish the extent of the FAK binding motif, the binding affinity of the SH2 domain for phosphorylated and unphosphorylated FAK-derived peptides of increasing length was determined and compared with that of the internal Src SH2 binding site. It is shown that the FAK peptides have higher affinity than the internal binding site and that seven negative residues adjacent to the core SH2 binding motif increase the binding constant 30-fold. A rigid spin-label incorporated in the FAK peptides was used to establish on the basis of paramagnetic relaxation enhancement whether the peptide-protein complex is well defined. A large spread of the paramagnetic effects on the surface of the SH2 domain suggests that the peptide-protein complex exhibits dynamics, despite the high affinity of the peptide. The strong electrostatic interaction between the positive side of the SH2 domain and the negative peptide results in a high affinity but may also favor a dynamic interaction. Copyright © 2012 Wiley Periodicals, Inc.

Degradation of edible oil during food processing by ultrasound: electron paramagnetic resonance, physicochemical, and sensory appreciation.

Science.gov (United States)

Pingret, Daniella; Durand, Grégory; Fabiano-Tixier, Anne-Sylvie; Rockenbauer, Antal; Ginies, Christian; Chemat, Farid

2012-08-08

During ultrasound processing of lipid-containing food, some off-flavors can be detected, which can incite depreciation by consumers. The impacts of ultrasound treatment on sunflower oil using two different ultrasound horns (titanium and pyrex) were evaluated. An electron paramagnetic resonance study was performed to identify and quantify the formed radicals, along with the assessment of classical physicochemical parameters such as peroxide value, acid value, anisidine value, conjugated dienes, polar compounds, water content, polymer quantification, fatty acid composition, and volatiles profile. The study shows an increase of formed radicals in sonicated oils, as well as the modification of physicochemical parameters evidencing an oxidation of treated oils.

Dependence of adenine isolation efficiency on the chain length evidenced using paramagnetic particles and voltammetry measurements

Energy Technology Data Exchange (ETDEWEB)

Huska, Dalibor [Department of Chemistry and Biochemistry, Faculty of Agronomy, Mendel University of Agriculture and Forestry, Zemedelska 1, CZ-613 00 Brno (Czech Republic); Adam, Vojtech [Department of Chemistry and Biochemistry, Faculty of Agronomy, Mendel University of Agriculture and Forestry, Zemedelska 1, CZ-613 00 Brno (Czech Republic); Department of Animal Nutrition and Forage Production, Faculty of Agronomy, Mendel University of Agriculture and Forestry, Zemedelska 1, CZ-613 00 Brno (Czech Republic); Trnkova, Libuse [Department of Chemistry, Faculty of Science, Masaryk University, Kamenice 5, CZ-625 00 Brno (Czech Republic); Kizek, Rene [Department of Chemistry and Biochemistry, Faculty of Agronomy, Mendel University of Agriculture and Forestry, Zemedelska 1, CZ-613 00 Brno (Czech Republic)], E-mail: kizek@sci.muni.cz

2009-05-15

The main aim of this work was to study the dependence of oligoadenine isolation efficiency on the chain length by using paramagnetic particles covered by homo-deoxythymidines ((dT)25) with subsequent detection by adsorptive transfer technique coupled with square wave voltammetry. For this purpose, the oligonucleotides of the length A5, A10, A15, A20, A25, A30, A35, A40 and poly(A) in various concentrations were chosen. We determined that the isolation efficiency defined as 'isolated oligonucleotide concentration'/'given oligonucleotide concentration' was about 55% on average. Sequence A25 demonstrated the best binding onto microparticles surface.

Electron paramagnetic resonance imaging of tumor hypoxia: enhanced spatial and temporal resolution for in vivo pO2 determination.

Science.gov (United States)

Matsumoto, Ken-ichiro; Subramanian, Sankaran; Devasahayam, Nallathamby; Aravalluvan, Thirumaran; Murugesan, Ramachandran; Cook, John A; Mitchell, James B; Krishna, Murali C

2006-05-01

The time-domain (TD) mode of electron paramagnetic resonance (EPR) data collection offers a means of estimating the concentration of a paramagnetic probe and the oxygen-dependent linewidth (LW) to generate pO2 maps with minimal errors. A methodology for noninvasive pO2 imaging based on the application of TD-EPR using oxygen-induced LW broadening of a triarylmethyl (TAM)-based radical is presented. The decay of pixel intensities in an image is used to estimate T2*, which is inversely proportional to pO2. Factors affecting T2* in each pixel are critically analyzed to extract the contribution of dissolved oxygen to EPR line-broadening. Suitable experimental and image-processing parameters were obtained to produce pO2 maps with minimal artifacts. Image artifacts were also minimized with the use of a novel data collection strategy using multiple gradients. Results from a phantom and in vivo imaging of tumor-bearing mice validated this novel method of noninvasive oximetry. The current imaging protocols achieve a spatial resolution of approximately 1.0 mm and a temporal resolution of approximately 9 s for 2D pO2 mapping, with a reliable oxygen resolution of approximately 1 mmHg (0.12% oxygen in gas phase). This work demonstrates that in vivo oximetry can be performed with good sensitivity, accuracy, and high spatial and temporal resolution.

Detection of free radicals in γ-irradiated seasnail hard tissues by electron paramagnetic resonance

International Nuclear Information System (INIS)

Koeseoglu, Rahmi; Koeksal, Fevzi

2003-01-01

Gamma-irradiated seasnail (from family of Helix lukortium) hard tissues (CaCO 3 ) were investigated by electron paramagnetic resonance (EPR) at room temperature. The radicals produced by γ-irradiation in seasnail were attributed to orthorhombic C · O 2 - , freely rotating C · O 2 - , orthorhombic C · O 3 - , axial C · O 3 - , and axial C · O 3 3- free radicals. Unirradiated seasnail hard tissues also feature Mn 2+ ions in their EPR spectra. The hyperfine values were determined for the 13 C nucleus in the orthorhombic C · O 2 - and axial C · O 3 3- free radicals and for the manganese impurity ions. The g values of all the free radicals have been measured. The results were compared with the literature data for similar defects

Conventional electron paramagnetic resonance of Mn2+ in synthetic hydroxyapatite at different concentrations of the doped manganese

Science.gov (United States)

Murzakhanov, F.; Mamin, G.; Voloshin, A.; Klimashina, E.; Putlyaev, V.; Doronin, V.; Bakhteev, S.; Yusupov, R.; Gafurov, M.; Orlinskii, S.

2018-05-01

Powders of synthetic hydroxyapatite doped with Mn2+ ions in concentrations from 0.05 till 5 wt. % were investigated by conventional electron paramagnetic resonance (EPR). The parameters of the spin-Hamiltonian are derived. Partially resolved hyperfine structure in the magnetic fields corresponding to g ≈ 4.3 and g ≈ 9.4 is observed. The narrowing of the central peak with concentration is reported. A possibility to use the linewidth and intensity of the central peak for concentration measurements are discussed. The results could be used for the identification and qualification of Mn2+ in oil, mining and ore formations.

Electron paramagnetic resonance (EPR spectral components of spin-labeled lipids in saturated phospholipid bilayers: effect of cholesterol

Directory of Open Access Journals (Sweden)

Heverton Silva Camargos

2013-01-01

Full Text Available Electron paramagnetic resonance (EPR spectroscopy was used to study the main structural accommodations of spin labels in bilayers of saturated phosphatidylcholines with acyl chain lengths ranging from 16 to 22 carbon atoms. EPR spectra allowed the identification of two distinct spectral components in thermodynamic equilibrium at temperatures below and above the main phase transition. An accurate analysis of EPR spectra, using two fitting programs, enabled determination of the thermodynamic profile for these major probe accommodations. Focusing the analysis on two-component EPR spectra of a spin-labeled lipid, the influence of 40 mol % cholesterol in DPPC was studied.

Moessbauer, electron paramagnetic resonance and magnetic susceptibility studies of photosensitive nitrile hydratase from Rhodococcus sp. N-771

International Nuclear Information System (INIS)

Nagamune, Teruyuki; Honda, Jun; Kobayashi, Yoshio; Sasabe, Hiroyuki; Endo, Isao; Ambe, Fumitoshi; Teratani, Yoshitaka; Hirata, Akira

1992-01-01

Moessbauer, magnetic susceptibility and electron paramagnetic resonance (EPR) studies of inactive and photoactivated NHase enzymes were performed to elucidate the electronic change of non-heme two-iron atom center of the enzyme by photoactivation. These spectroscopic investigations revealed that both the two iron atoms of the active NHase could be assigned to low-spin ferric state, and those of the inactive NHase could each be assigned to low-spin ferric and low-spin ferrous ones. From these results, it was concluded that one of the non-heme iron atoms is oxidized in the inactive NHase during photoactivation. (orig.)

Defect structure in lithium-doped polymer-derived SiCN ceramics characterized by Raman and electron paramagnetic resonance spectroscopy.

Science.gov (United States)

Erdem, Emre; Mass, Valentina; Gembus, Armin; Schulz, Armin; Liebau-Kunzmann, Verena; Fasel, Claudia; Riedel, Ralf; Eichel, Rüdiger-A

2009-07-21

Lithium-doped polymer-derived silicon carbonitride ceramics (SiCN:Li) synthesized at various pyrolysis temperatures, have been investigated by means of multifrequency and multipulse electron paramagnetic resonance (EPR) and Raman spectroscopy in order to determine different defect states that may impact the materials electronic properties. In particular, carbon- and silicon-based 'dangling bonds' at elevated, as well as metallic networks containing Li0 in the order of 1 microm at low pyrolysis temperatures have been observed in concentrations ranging between 10(14) and 10(17) spins mg(-1).

Quantitative detection of plasma-generated radicals in liquids by electron paramagnetic resonance spectroscopy

International Nuclear Information System (INIS)

Tresp, H; Hammer, M U; Winter, J; Reuter, S; Weltmann, K-D

2013-01-01

In this paper the qualitative and quantitative detection of oxygen radicals in liquids after plasma treatment with an atmospheric pressure argon plasma jet by electron paramagnetic resonance spectroscopy is investigated. Absolute values for · OH and O 2 ·- radical concentration and their net production rate in plasma-treated liquids are determined without the use of additional scavenging chemicals such as superoxide dismutase (SOD) or mannitol (D-MAN). The main oxygen-centred radical generation in PBS was found to originate from the superoxide radical. It is shown that hidden parameters such as the manufacturer of chemical components could have a big influence on the comparability and reproducibility of the results. Finally, the effect of a shielding gas device for the investigated plasma jet with a shielding gas composition of varying oxygen-to-nitrogen ratio on radical generation after plasma treatment of phosphate-buffered saline solution was investigated. (paper)

In-depth magnetic characterization of a [2 × 2] Mn(III) square grid using SQUID magnetometry, inelastic neutron scattering, and high-field electron paramagnetic resonance spectroscopy

DEFF Research Database (Denmark)

Konstantatos, Andreas; Bewley, Robert; Barra, Anne Laure

2016-01-01

. Combined inelastic neutron scattering (INS) and electron paramagnetic resonance (EPR) experiments provided the necessary information in order to successfully model the magnetic properties of Mn4. The resulting model takes into account both the magnitude and the relative orientations of the single...

Determination of g-tensors of low-symmetry Nd{sup 3+} centers in LiNbO{sub 3} by rectification of angular dependence of electron paramagnetic resonance spectra

Energy Technology Data Exchange (ETDEWEB)

Grachev, V., E-mail: grachev@physics.montana.edu; Malovichko, G. [Physics Department, Montana State University, Bozeman, Montana 59717 (United States); Munro, M. [Quantel Laser, Bozeman, Montana 59715 (United States); Kokanyan, E. [Institute of Physical Researches, Ashtarak (Armenia)

2015-07-28

Two procedures for facilitation of line tracing and deciphering of complicated spectra of electron paramagnetic resonance (EPR) were developed: a correction of microwave frequencies for every orientation of external magnetic field on the base of known values of g-tensor components for a reference paramagnetic center and followed rectification of measured angular dependences using plots of effective deviation of g{sup 2}-factors of observed lines from effective g{sup 2}-factors of the reference center versus angles or squared cosines of angles describing magnetic field orientations. Their application to EPR spectra of nearly stoichiometric lithium niobate crystals doped with neodymium allowed identifying two axial and six different low-symmetry Nd{sup 3+} centers, to determine all components of their g-tensors, and to propose common divacancy models for a whole family of Nd{sup 3+} centers.

Electron paramagnetic resonance and electron-nuclear double resonance study of the neutral copper acceptor in ZnGeP sub 2 crystals

CERN Document Server

Stevens, K T; Setzler, S D; Schünemann, P G; Pollak, T M

2003-01-01

Electron paramagnetic resonance (EPR) and electron-nuclear double resonance have been used to characterize the neutral copper acceptor in ZnGeP sub 2 crystals. The copper substitutes for zinc and behaves as a conventional acceptor (i.e. the 3d electrons do not play a dominant role). Because of a high degree of compensation from native donors, the copper acceptors in our samples were initially in the nonparamagnetic singly ionized state (Cu sub Z sub n sup -). The paramagnetic neutral state (Cu sub Z sub n sup 0) was observed when the crystals were exposed to 632.8 nm or 1064 nm laser light while being held at a temperature below 50 K. The g matrix of the neutral copper acceptor is axial g sub p sub a sub r = 2.049 and g sub p sub e sub r sub p = 2.030), with the unique principal direction parallel to the tetragonal c axis of the crystal. The hyperfine and nuclear quadrupole matrices also exhibit c-axis symmetry (A sub p sub a sub r = 87.6 MHz, A sub p sub e sub r sub p = 34.8 MHz and P = 0.87 MHz for sup 6 su...

Electron paramagnetic resonance image reconstruction with total variation and curvelets regularization

Science.gov (United States)

Durand, Sylvain; Frapart, Yves-Michel; Kerebel, Maud

2017-11-01

Spatial electron paramagnetic resonance imaging (EPRI) is a recent method to localize and characterize free radicals in vivo or in vitro, leading to applications in material and biomedical sciences. To improve the quality of the reconstruction obtained by EPRI, a variational method is proposed to inverse the image formation model. It is based on a least-square data-fidelity term and the total variation and Besov seminorm for the regularization term. To fully comprehend the Besov seminorm, an implementation using the curvelet transform and the L 1 norm enforcing the sparsity is proposed. It allows our model to reconstruct both image where acquisition information are missing and image with details in textured areas, thus opening possibilities to reduce acquisition times. To implement the minimization problem using the algorithm developed by Chambolle and Pock, a thorough analysis of the direct model is undertaken and the latter is inverted while avoiding the use of filtered backprojection (FBP) and of non-uniform Fourier transform. Numerical experiments are carried out on simulated data, where the proposed model outperforms both visually and quantitatively the classical model using deconvolution and FBP. Improved reconstructions on real data, acquired on an irradiated distal phalanx, were successfully obtained.

Magnetic studies reveal near-perfect paramagnetism in the molecular semiconductor vanadyl phthalocyanine (C{sub 32}H{sub 16}N{sub 8}VO)

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhengjun [Department of Physics and Astronomy, West Virginia University, Morgantown, WV 26506-6315 (United States); Pi, Li [High Magnetic Field Laboratory, Chinese Academy of Sciences and University of Science and Technology of China, Hefei 230031 (China); Seehra, Mohindar S., E-mail: mseehra@wvu.edu [Department of Physics and Astronomy, West Virginia University, Morgantown, WV 26506-6315 (United States); Bindra, Jasleen; Van Tol, Hans; Dalal, Naresh S. [National High Magnetic Field Laboratory, and Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States)

2017-01-15

Temperature (0.5–300 K) and magnetic field (H up to 90 kOe) dependences of the magnetization (M) of a powder sample of vanadyl phthalocyanine (VOPc) having the Phase II-triclinic structure are measured and analyzed. The data of χ = M/H vs. T measured in H = 1 kOe fit the modified Curie-Weiss (CW) law, χ = χ{sub o}+C/(T−θ), with C = 6.266×10{sup −4} emuK/gOe, θ = −0.1 K and χ{sub o} = −9.3×10{sup −7} emu/gOe. The Curie constant C yields magnetic moment μ = 1.704 μ{sub B}, S = 1/2, and g = 1.967 characteristic of VO{sup 2+}. The magnitude of θ = −0.1 K signifying very weak inter-ion antiferromagnetic exchange coupling is supported by the analysis of the variable frequency (9.8–336 GHz) electron paramagnetic resonance data. The isothermal data of M vs. H at ten temperatures between 0.5 K and 300 K when plotted as M vs. H/(T+0.1) collapses on to a single curve given by M = M{sub o}tanh {gμ_BH/[2k_B(T+0.1)]} with M{sub o} = Ngμ{sub B}S = 9.48 emu/g expected for S = 1/2 system, thus signifying near perfect paramagnetism in VOPc. - Highlights: • Magnetization M vs. temperature T from 0.5 K to 300 K in H = 1 kOe is reported. • M vs. T data fit Curie-Weiss law with θ = −0.1 K, S = 1/2, &g = 1.967 for VO{sup 2+}. • Isothermal M vs. H data (H up to 90 kOe) for ten T from 0.5 K to 300 K is reported. • M vs. H/(T−θ) plot for various T fit a single Brillouin function curve for S = 1/2. • Analysis of magnetic and EPR data in VOPc shows near perfect S = 1/2 paramagnetism.

Application of electron paramagnetic resonance to identify irradiated soybean

International Nuclear Information System (INIS)

Bhaskar, S.; Behere, Arun; Sharma, Arun

2006-01-01

Full text: Electron paramagnetic resonance spectroscopy was applied to study free radicals in soy bean seed after gamma irradiation and to establish the potential of these radiation induced free radicals as the indicator of the radiation treatment. The radiation doses administered to the samples were 1 to 30 kGy. A stable doublet signal was detected at g = 2.0279 with hyperfine coupling constant of 2.8 mT, produced only by radiolysis. This signal can be used to identify irradiated soy bean seed samples. With the increase of the radiation dose the central line intensity and the intensities of the satellite lines showed almost a linear rise having linear correlation factors of 0.99724 and 0.99996, respectively. Thermal treatment at 373 deg K in air was studied. No line specific to thermolysis was observed. The spectrometer was operated with power 0.253 mW, microwave frequency 9.74 GHz, modulation frequency 100 kHz and scan range 10 mT. To study the stability of the signal, EPR spectra were obtained from the irradiated skin part of soy bean seeds samples following 1 and 90 days of storage after radiation treatment. The two satellite lines of g left = 2.0279 and g right 1.99529 were detected in all samples. This suggests that the signal is associated with a stable radical and therefore, the detection of a particular free radical as a marker of irradiation is proposed

In Vivo pO2 Imaging of Tumors: Oxymetry with Very Low-Frequency Electron Paramagnetic Resonance.

Science.gov (United States)

Epel, Boris; Halpern, Howard J

2015-01-01

For over a century, it has been known that tumor hypoxia, regions of a tumor with low levels of oxygenation, are important contributors to tumor resistance to radiation therapy and failure of radiation treatment of cancer. Recently, using novel pulse electron paramagnetic resonance (EPR) oxygen imaging, near absolute images of the partial pressure of oxygen (pO2) in tumors of living animals have been obtained. We discuss here the means by which EPR signals can be obtained in living tissues and tumors. We review development of EPR methods to image the pO2 in tumors and the potential for the pO2 image acquisition in human subjects. © 2015 Elsevier Inc. All rights reserved.

In vivo pO2 imaging of tumors: Oxymetry with very low frequency Electron Paramagnetic Resonance

Science.gov (United States)

Epel, Boris; Halpern, Howard J.

2016-01-01

For over a century it has been known that tumor hypoxia, regions of a tumor with low levels of oxygenation, are important contributors to tumor resistance to radiation therapy and failure of radiation treatment of cancer. Recently, using novel pulse electron paramagnetic resonance (EPR) oxygen imaging, near absolute images of the partial pressure of oxygen (pO2) in tumors of living animals have been obtained. We discuss here the means by which EPR signals can be obtained in living tissues and tumors. We review development of EPR methods to image the pO2 in tumors and the potential for the pO2 image acquisition in human subjects. PMID:26477263

Electron paramagnetic resonance and Raman spectroscopy studies on carbon-doped MgB{sub 2} superconductor nanomaterials

Energy Technology Data Exchange (ETDEWEB)

Bateni, Ali; Somer, Mehmet, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr [Department of Chemistry, Koc University, RumelifeneriYolu, Sariyer, Istanbul (Turkey); Erdem, Emre, E-mail: emre.erdem@physchem.uni-freiburg.de, E-mail: msomer@ku.edu.tr; Repp, Sergej; Weber, Stefan [Institut für Physikalische Chemie, Universität Freiburg, Albertstr. 21, 79104 Freiburg (Germany); Acar, Selcuk; Kokal, Ilkin [Pavezyum Kimya Sanayi Dış Ticaret LTD. ŞTI., Tuzla, Istanbul (Turkey); Häßler, Wolfgang [Leibniz Institute for Solid State and Materials Research Dresden (IFW), P.O. Box 270116, 01171 Dresden (Germany)

2015-04-21

Undoped and carbon-doped magnesium diboride (MgB{sub 2}) samples were synthesized using two sets of mixtures prepared from the precursors, amorphous nanoboron, and as-received amorphous carbon-doped nanoboron. The microscopic defect structures of carbon-doped MgB{sub 2} samples were systematically investigated using X-ray powder diffraction, Raman and electron paramagnetic resonance spectroscopy. Mg vacancies and C-related dangling-bond active centers could be distinguished, and sp{sup 3}-hybridized carbon radicals were detected. A strong reduction in the critical temperature T{sub c} was observed due to defects and crystal distortion. The symmetry effect of the latter is also reflected on the vibrational modes in the Raman spectra.

Electronic phase separation in insulating (Ga, Mn) As with low compensation: super-paramagnetism and hopping conduction

Science.gov (United States)

Yuan, Ye; Wang, Mao; Xu, Chi; Hübner, René; Böttger, Roman; Jakiela, Rafal; Helm, Manfred; Sawicki, Maciej; Zhou, Shengqiang

2018-03-01

In the present work, low compensated insulating (Ga,Mn)As with 0.7% Mn is obtained by ion implantation combined with pulsed laser melting. The sample shows variable-range hopping transport behavior with a Coulomb gap in the vicinity of the Fermi energy, and the activation energy is reduced by an external magnetic field. A blocking super-paramagnetism is observed rather than ferromagnetism. Below the blocking temperature, the sample exhibits a colossal negative magnetoresistance. Our studies confirm that the disorder-induced electronic phase separation occurs in (Ga,Mn)As samples with a Mn concentration in the insulator-metal transition regime, and it can account for the observed superparamagnetism and the colossal magnetoresistance.

Application of the Electron paramagnetic resonance to the ionizing radiation dosimetry; Aplicacion de la Resonancia paramagnetica electronica a la dosimetria de las radiaciones ionizantes

Energy Technology Data Exchange (ETDEWEB)

Urena N, F. [Instituto Nacional de Investigaciones Nucleares, Km. 36.5 Carretera Mexico-Toluca, 52045 Salazar, Estado de Mexico (Mexico)

2000-07-01

The Electron Paramagnetic Resonance (EPR) is defined as the resonant absorption of electromagnetic energy in paramagnetic substances by the spin transition of a non-pairing electron between different energy levels in presence of a magnetic field. (Slighter, 1989). One of the more important characteristic of EPR is that the electron spin levels are subdivided by the electron interaction with the magnetic dipoles of the nearby nucleus giving occasion for a spectral structure called hyperfine structure. In this kind of interactions two limit cases are distinguished: 1. when the non-pairing electron is located in a central ion surrounded of atoms belonging to coordinate molecules. 2. When a non-pairing electron interactioning in the same form with a number of equivalent nucleus, which is common in organic radicals, these will give as result spectra. Some EPR spectrometer can be used to dosimetric purposes by free radicals via. In this work, it is presented the application of EPR to dosimetry of ionizing radiations by free radicals via which allows to determinations of high doses. (Author)

Electron paramagnetic resonance study of the Ce.sup.3+./sup. pair centers in YAlO.sub.3./sub.:Ce scintillator crystals

Czech Academy of Sciences Publication Activity Database

Buryi, Maksym; Laguta, Valentyn; Mihóková, Eva; Novák, Pavel; Nikl, Martin

2015-01-01

Roč. 92, č. 22 (2015), "224105-1"-"224105-10" ISSN 1098-0121 R&D Projects: GA MŠk LO1409; GA MŠk(CZ) LM2011029; GA ČR GAP204/12/0805 Grant - others:SAFMAT(XE) CZ.2.16/3.1.00/22132 Institutional support: RVO:68378271 Keywords : electron paramagnetic resonance * scintillator * pair of ions * density functional theory calculation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

Native and induced triplet nitrogen-vacancy centers in nano- and micro-diamonds: Half-field electron paramagnetic resonance fingerprint

Energy Technology Data Exchange (ETDEWEB)

Shames, A. I., E-mail: sham@bgu.ac.il [Department of Physics, Ben-Gurion University of the Negev, Be' er-Sheva 84105 (Israel); Osipov, V. Yu.; Vul’, A. Ya. [Ioffe Physical-Technical Institute, Polytechnicheskaya 26, 194021 St. Petersburg (Russian Federation); Bardeleben, H.-J. von [Institut des Nano Sciences de Paris-INSP, Université Pierre et Marie Curie/UMR 7588 au CNRS, 7500 Paris (France); Boudou, J.-P.; Treussart, F. [Laboratoire Aimé Cotton, CNRS, Université Paris-Sud and ENS Cachan, 91405 Orsay (France)

2014-02-10

Multiple frequency electron paramagnetic resonance (EPR) study of small (4–25 nm) nanodiamonds obtained by various dynamic synthesis techniques reveals systematic presence in the half-field (HF) region a distinctive doublet fingerprint consisting of resolved g{sub HF1} = 4.26 and g{sub HF2} = 4.00 signals. This feature is attributed to “forbidden” ΔM{sub S} = 2 transitions in EPR spectra of two native paramagnetic centers of triplet (S = 1) origin designated as TR1 and TR2, characterized by zero field splitting values D{sub 1} = 0.0950 ± 0.002 cm{sup −1} and D{sub 2} = 0.030 ± 0.005 cm{sup −1}. Nanodiamonds of ∼50 nm particle size, obtained by crushing of Ib type nitrogen rich synthetic diamonds, show only HF TR2 signal whereas the same sample undergone high energy (20 MeV) electron irradiation and thermal annealing demonstrates rise of HF TR1 signal. The same HF TR1 signals appear in the process of fabrication of fluorescent nanodiamonds from micron-size synthetic diamond precursors. Results obtained allow unambiguous attribution of the half-field TR1 EPR signals with g{sub HF1} = 4.26, observed in nano- and micron-diamond powders, to triplet negatively charged nitrogen-vacancy centers. These signals are proposed as reliable and convenient fingerprints in both qualitative and quantitative study of fluorescent nano- and micron-diamonds.

Native and induced triplet nitrogen-vacancy centers in nano- and micro-diamonds: Half-field electron paramagnetic resonance fingerprint

International Nuclear Information System (INIS)

Shames, A. I.; Osipov, V. Yu.; Vul’, A. Ya.; Bardeleben, H.-J. von; Boudou, J.-P.; Treussart, F.

2014-01-01

Multiple frequency electron paramagnetic resonance (EPR) study of small (4–25 nm) nanodiamonds obtained by various dynamic synthesis techniques reveals systematic presence in the half-field (HF) region a distinctive doublet fingerprint consisting of resolved g HF1  = 4.26 and g HF2  = 4.00 signals. This feature is attributed to “forbidden” ΔM S  = 2 transitions in EPR spectra of two native paramagnetic centers of triplet (S = 1) origin designated as TR1 and TR2, characterized by zero field splitting values D 1  = 0.0950 ± 0.002 cm −1 and D 2  = 0.030 ± 0.005 cm −1 . Nanodiamonds of ∼50 nm particle size, obtained by crushing of Ib type nitrogen rich synthetic diamonds, show only HF TR2 signal whereas the same sample undergone high energy (20 MeV) electron irradiation and thermal annealing demonstrates rise of HF TR1 signal. The same HF TR1 signals appear in the process of fabrication of fluorescent nanodiamonds from micron-size synthetic diamond precursors. Results obtained allow unambiguous attribution of the half-field TR1 EPR signals with g HF1  = 4.26, observed in nano- and micron-diamond powders, to triplet negatively charged nitrogen-vacancy centers. These signals are proposed as reliable and convenient fingerprints in both qualitative and quantitative study of fluorescent nano- and micron-diamonds

SEPARATION OF CELL POPULATIONS BY SUPER-PARAMAGNETIC PARTICLES WITH CONTROLLED SURFACE FUNCTIONALITY

Directory of Open Access Journals (Sweden)

Lootsik M. D.

2014-02-01

Full Text Available The recognition and isolation of specific mammalian cells by the biocompatible polymer coated super-paramagnetic particles with determined surface functionality were studied. The method of synthesis of nanoscaled particles on a core of iron III oxide (Fe2O3, magemit coated with a polymer shell containing reactive oligoperoxide groups for attachment of ligands is described. By using the developed superparamagnetic particles functionalized with peanut agglutinin (PNA we have separated the sub-populations of PNA+ and PNA– cells from ascites of murine Nemeth-Kellner lymphoma. In another type of experiment, the particles were opsonized with proteins of the fetal calf serum that improved biocompatibility of the particles and their ingestion by cultivated murine macrophages J774.2. Macrophages loaded with the particles were effeciently separated from the particles free cells by using the magnet. Thus, the developed surface functionalized superparamagnetic particles showed to be a versatile tool for cell separation independent on the mode of particles’ binding with cell surface or their engulfment by the targeted cells.

Large magnetoresistance and Hall effect in paramagnetic black phosphorus synthesized from red phosphorus

Science.gov (United States)

Jiang, X. H.; Xiong, F.; Zhang, X. W.; Hua, Z. H.; Wang, Z. H.; Yang, S. G.

2018-05-01

Black phosphorus (BP) is an important material, which can be used in the fabrication of phosphorene. In this manuscript, a systematic study was described on the high-pressure synthesis of BP from red phosphorus. For physical characterization, the bulk BP was synthesized under the high pressure of 1.6 GPa and high temperature of 700 °C for 2 h. X-ray diffraction and Raman studies illustrated the formation of high-quality pure phase pleomorphic BP. A nonlinear Hall effect was observed in the BP sample. Magnetoresistance (MR) in the bulk BP reached 90% at 40 K, and positive-to-negative crossover in MR was measured. A paramagnetic feature was found in the prepared bulk BP, and the MR results were attributed to the combination of the effect of classical resistor network and magnetic polaron. The conduction tensors were analyzed by a two-band model to determine the carrier concentration and mobility at several temperatures.

High-Frequency Electron Paramagnetic Resonance Spectroscopy of Nitroxide-Functionalized Nanodiamonds in Aqueous Solution.

Science.gov (United States)

Akiel, R D; Stepanov, V; Takahashi, S

2017-06-01

Nanodiamond (ND) is an attractive class of nanomaterial for fluorescent labeling, magnetic sensing of biological molecules, and targeted drug delivery. Many of those applications require tethering of target biological molecules on the ND surface. Even though many approaches have been developed to attach macromolecules to the ND surface, it remains challenging to characterize dynamics of tethered molecule. Here, we show high-frequency electron paramagnetic resonance (HF EPR) spectroscopy of nitroxide-functionalized NDs. Nitroxide radical is a commonly used spin label to investigate dynamics of biological molecules. In the investigation, we developed a sample holder to overcome water absorption of HF microwave. Then, we demonstrated HF EPR spectroscopy of nitroxide-functionalized NDs in aqueous solution and showed clear spectral distinction of ND and nitroxide EPR signals. Moreover, through EPR spectral analysis, we investigate dynamics of nitroxide radicals on the ND surface. The demonstration sheds light on the use of HF EPR spectroscopy to investigate biological molecule-functionalized nanoparticles.

Field-swept pulsed electron paramagnetic resonance of Cr3+-doped ZBLAN fluoride glass

International Nuclear Information System (INIS)

Drew, S.C.; Pilbrow, J.R.; Newman, P.J.; MacFarlane, D.R.

2001-01-01

Field-swept pulsed electron paramagnetic resonance (EPR) spectra of a ZBLAN fluoride glass doped with a low concentration of Cr 3+ are obtained using echo-detected EPR and hole-burning free induction decay detection. We review the utility of the pulsed EPR technique in generating field-swept EPR spectra, as well as some of the distorting effects that are peculiar to the pulsed detection method. The application of this technique to Cr 3+ -doped ZBLAN reveals that much of the broad resonance extending from g eff =5.1 to g eff =1.97, characteristic of X-band continuous wave EPR of Cr 3+ in glasses, is absent. We attribute this largely to the variation in nutation frequencies across the spectrum that result from sites possessing large fine structure interactions. The description of the spin dynamics of such sites is complicated and we discuss some possible approaches to the simulation of the pulsed EPR spectra. (author)

Study of radiation-induced paramagnetic centers in quartz and its possible use in radiation dosimetry

International Nuclear Information System (INIS)

Mansour, A.M.E.

2008-01-01

A new EPR dosimetry system has been developed based on the radiation-formed stable paramagnetic centers in quartz. The first part of the thesis includes the preparation of quartz rods (diameter = 3 mm, length = 10 mm) where quartz powder was mixed with molten mixture of paraffin wax and ethylene vinyl acetate copolymer (EVA). The binding-mixture EVA / paraffin do not present interference or noise in the EPR signal before or after irradiation to high doses. The quartz rods were prepared by different concentrations (5, 10, 20, 30 and 50 %). The rods (30 %) show good mechanical properties for safe and multi-use handling. The second part is concerned with studying the dosimetric characteristics of gamma irradiation sensitive rods where the radiation-formed stable free radicals (E-center, peroxy radical and non-bridging oxygen hole center) which analyzed by using electron paramagnetic resonance (EPR) spectrometer. Unirradiated rods have no EPR signals. The useful dose range of these rods was found to range from 0.1 to 80 kGy depending on concentration of quartz powder, indicating their suitability for low and high dose gamma radiation applications. Also it was found that quartz rod exhibits a linear dose response in the dose regions 0.1-2.34 and 2.34-26 kGy at optimum EPR parameters. The dosimeter response was assessed using the peak-to-peak amplitude of the first-derivatives EPR spectrum. Its EPR signal was found unchanged in shape with different doses and different concentrations. A signal line spectrum attributed to the E-center was observed after irradiation, and this radical is insensitive to temperature, light independence as well as it have a very low decay (4.768 % per year). The overall uncertainty for quartz rod dosimeters at 2σ (σ is standard deviation) was found to be 3.8436 %. The dosimetric parameters, e. g. dose response, effect of temperature during irradiation on response as well as pre- and post-irradiation stability at different storage conditions

X-ray photoelectron spectroscopy and paramagnetic resonance evidence for shock-induced intramolecular bond breaking in some energetic solids

Science.gov (United States)

Owens, F. J.; Sharma, J.

1980-03-01

Solid samples of 1,3,5, trinitro 1,3,5, triazacyclohexane (RDX), trinitrotoluene (TNT), and ammonium nitrate were subjected to shock pulses of strength and duration less than the threshold to cause detonation. The recovered shocked samples were studied by x-ray photoelectron spectroscopy (XPS) and electron paramagnetic resonance (EPR). The results of these measurements indicate that the shock pulse either broke or altered the internal bonds of the molecules of the solid. The results of the shock decomposition are compared with measurements of the uv and slow thermal decomposition of these materials using the same experimental techniques.

Effects of enhanced elongation and paramagnetism on the parameter space of the ignition spherical torus

International Nuclear Information System (INIS)

Strickler, D.J.; Peng, Y-K.M.; Borowski, S.K.; Selcow, E.C.; Miller, J.B.

1985-01-01

The Ignition Spherical Torus (IST) is a small aspect ratio device retaining only indispensable components along the major axis of a tokamak plasma, such as a cooled, normal conductor producing a toroidal magnetic field. The IST is expected to be a cost-effective approach to ignition by taking advantage of low field, large natural plasma elongation, high plasma current, high beta, and tokamak confinement. These result in compact, high-performance devices with relatively simple magnetic systems as compared with ignition tokamaks of larger aspect ratio. The plasma enhancement of the toroidal field on axis, or plasma paramagnetism, is significant in the IST. The use of this plasma-enhanced field in conventional tokamak beta and density limits leads to increased plasma pressure and performance and therefore smaller device size for a given ignition margin

Polynuclear water-soluble dinitrosyl iron complexes with cysteine or glutathione ligands: electron paramagnetic resonance and optical studies.

Science.gov (United States)

Vanin, Anatoly F; Poltorakov, Alexander P; Mikoyan, Vasak D; Kubrina, Lyudmila N; Burbaev, Dosymzhan S

2010-09-15

Electron paramagnetic resonance and optical spectrophotometric studies have demonstrated that low-molecular dinitrosyl iron complexes (DNICs) with cysteine or glutathione exist in aqueous solutions in the form of paramagnetic mononuclear (capital EM, Cyrillic-DNICs) and diamagnetic binuclear complexes (B-DNICs). The latter represent Roussin's red salt esters and can be prepared by treatment of aqueous solutions of Fe(2+) and thiols (small er, Cyrilliccapital EN, Cyrillic 7.4) with gaseous nitric oxide (NO) at the thiol:Fe(2+) ratio 1:1. capital EM, Cyrillic-DNICs are synthesized under identical conditions at the thiol:Fe(2+) ratios above 20 and produce an EPR signal with an electronic configuration {Fe(NO)(2)}(7) at g(aver.)=2.03. At neutral pH, aqueous solutions contain both M-DNICs and B-DNICs (the content of the latter makes up to 50% of the total DNIC pool). The concentration of B-DNICs decreases with a rise in pH; at small er, Cyrilliccapital EN, Cyrillic 9-10, the solutions contain predominantly M-DNICs. The addition of thiol excess to aqueous solutions of B-DNICs synthesized at the thiol:Fe(2+) ratio 1:2 results in their conversion into capital EM, Cyrillic-DNICs, the total amount of iron incorporated into M-DNICs not exceeding 50% of the total iron pool in B-DNICs. Air bubbling of cys-capital EM, Cyrillic-DNIC solutions results in cysteine oxidation-controlled conversion of capital EM, Cyrillic-DNICs first into cys-B-DNICs and then into the EPR-silent compound capital HA, Cyrillic able to generate a strong absorption band at 278 nm. In the presence of glutathione or cysteine excess, compound capital HA, Cyrillic is converted into B-DNIC/M-DNIC and is completely decomposed under effect of the Fe(2+) chelator small o, Cyrillic-phenanthroline or N-methyl-d-glucamine dithiocarbamate (MGD). Moreover, MGD initiates the synthesis of paramagnetic mononitrosyl iron complexes with MGD. It is hypothesized that compound capital HA, Cyrillic represents a polynuclear

Enamel dose calculation by electron paramagnetic resonance spectral simulation technique

International Nuclear Information System (INIS)

Dong Guofu; Cong Jianbo; Guo Linchao; Ning Jing; Xian Hong; Wang Changzhen; Wu Ke

2011-01-01

Objective: To optimize the enamel electron paramagnetic resonance (EPR) spectral processing by using the EPR spectral simulation method to improve the accuracy of enamel EPR dosimetry and reduce artificial error. Methods: The multi-component superimposed EPR powder spectral simulation software was developed to simulate EPR spectrum models of the background signal (BS) and the radiation- induced signal (RS) of irradiated enamel respectively. RS was extracted from the multi-component superimposed spectrum of irradiated enamel and its amplitude was calculated. The dose-response curve was then established for calculating the doses of a group of enamel samples. The result of estimated dose was compared with that calculated by traditional method. Results: BS was simulated as a powder spectrum of gaussian line shape with the following spectrum parameters: g=2.00 35 and Hpp=0.65-1.1 mT, RS signal was also simulated as a powder spectrum but with axi-symmetric spectrum characteristics. The spectrum parameters of RS were: g ⊥ =2.0018, g ‖ =1.9965, Hpp=0.335-0.4 mT. The amplitude of RS had a linear response to radiation dose with the regression equation as y=240.74x + 76 724 (R 2 =0.9947). The expectation of relative error of dose estimation was 0.13. Conclusions: EPR simulation method has improved somehow the accuracy and reliability of enamel EPR dose estimation. (authors)

Model-free nuclear magnetic resonance study of intermolecular free energy landscapes in liquids with paramagnetic Ln3+ spotlights: theory and application to Arg-Gly-Asp.

Science.gov (United States)

Fries, Pascal H

2012-01-28

We propose an easily applicable method for investigating the pair distribution function of a lanthanide Ln(3+) complex LnL (L = ligand) with respect to any solvent or solute molecule A carrying observable nuclear spins. Let r be the distance of Ln(3+) to the observed nuclear spin I. We derive a simple expression of the experimental value of the configurational average of 1/r(6) in terms of longitudinal paramagnetic relaxation (rate) enhancements (PREs) of the spin I measured on a standard high-resolution NMR spectrometer and due to well-chosen concentrations of LnL complexes in which Ln(3+) is a fast-relaxing paramagnetic lanthanide or the slowly-relaxing gadolinium Gd(3+). The derivation is justified in the general case of a molecule A which is by turns in a bound state where it follows the complex and a free state where it moves independently. It rests on the expression of the underlying PRE theory in terms of the angle-dependent pair distribution function of LnL and A. The simplifications of this theory in the high-field regime and under the condition of fast exchange between bound and free states are carefully discussed. We also show that original information on the angle dependence of the molecular pair distribution function can be gained from the measured paramagnetic dipolar shifts induced by complexed fast-relaxing Ln(3+) ions. The method is illustrated by the case study of the anionic Lnttha(3-) = [Ln(3+)(ttha)](3-) (ttha(6-) = triethylene tetraamine hexacetate) complex interacting with the biologically important tripeptide Arg-Gly-Asp (RGD) which carries peripheral ionic groups. The usefulness of an auxiliary reference outer sphere probe solute is emphasized. © 2012 American Institute of Physics

Optical, Structural and Paramagnetic Properties of Eu-Doped Ternary Sulfides ALnS2 (A = Na, K, Rb; Ln = La, Gd, Lu, Y

Directory of Open Access Journals (Sweden)

Vítězslav Jarý

2015-10-01

Full Text Available Eu-doped ternary sulfides of general formula ALnS2 (A = Na, K, Rb; Ln = La, Gd, Lu, Y are presented as a novel interesting material family which may find usage as X-ray phosphors or solid state white light emitting diode (LED lighting. Samples were synthesized in the form of transparent crystalline hexagonal platelets by chemical reaction under the flow of hydrogen sulfide. Their physical properties were investigated by means of X-ray diffraction, time-resolved photoluminescence spectroscopy, electron paramagnetic resonance, and X-ray excited fluorescence. Corresponding characteristics, including absorption, radioluminescence, photoluminescence excitation and emission spectra, and decay kinetics curves, were measured and evaluated in a broad temperature range (8–800 K. Calculations including quantum local crystal field potential and spin-Hamiltonian for a paramagnetic particle in D3d local symmetry and phenomenological model dealing with excited state dynamics were performed to explain the experimentally observed features. Based on the results, an energy diagram of lanthanide energy levels in KLuS2 is proposed. Color model xy-coordinates are used to compare effects of dopants on the resulting spectrum. The application potential of the mentioned compounds in the field of white LED solid state lighting or X-ray phosphors is thoroughly discussed.

Coordination Environment of Copper Sites in Cu-CHA Zeolite Investigated by Electron Paramagnetic Resonance

DEFF Research Database (Denmark)

Godiksen, Anita; Stappen, Frederick N.; Vennestrøm, Peter N. R.

2014-01-01

Cu-CHA combines high activity for the selective catalytic reduction (SCR) reaction with better hydrothermal stability and selectivity compared to other copper-substituted zeolites. At the same time Cu-CHA offers an opportunity for unraveling the coordination environment of the copper centers since...... the zeolite framework is very simple with only one crystallographically independent tetrahedral site (T-site). In this study the results of an X-band electron paramagnetic resonance (EPR) investigation of ion-exchanged Cu-CHA zeolite with a Si/Al ratio of 14 ± 1 is presented. Different dehydration treatments...... of the EPR silent monomeric Cu2+ in copper-substituted zeolites is suggested to be copper species with an approximate trigonal coordination sphere appearing during the dehydration. After complete dehydration at 250 °C the majority of the EPR silent Cu2+ is suggested to exist as Cu2+–OH– coordinated to two...

Study of the radiolysis of tetracycline hydrochloride in powder form, in aqueous solutions and in benzyl alcohol, at 77K, by electron paramagnetic resonance spectroscopy

International Nuclear Information System (INIS)

Guedes, S.M.L.

1984-01-01

The radiolysis of tetracycline hydrochloride in powder form, dissolved in benzyl alcohol and in acid, neutral and alkaline aerated aqueous solutions at 77K is studied by electron paramagnetic resonance spectroscopy. Mechanisms of reactions that occur in the radiolysis of these systems are proposed and some aspects of the reactions that occurs with electrons and with hydrogen atoms at 77K are investigated, since tetracycline hydrochloride captures both paramagnetic species. Also discussed is the influence of some factors in the migration of these species at 77K, such as: the position of solutes, the crystalline structure of the solvent, the kinetic energy of the species and the angle of incidence in the channeling. The rate constants for the reaction between the electron and physical and chemical traps which are present in the alkaline aerated aqueous solutions, at 77k, are calculated. The values found are, respectively: k=9.6 x 10 15 1 mol -1 s -1 and k= 1.8 x 10 10 1 mol -1 s -1 . (Author) [pt

Internal friction evidence of intrinsic inhomogeneity in the paramagnetic region of La0.67Ca0.33MnO3

International Nuclear Information System (INIS)

Ma, Y.Q.; Song, W.H.; Zhao, B.C.; Zhang, R.L.; Yang, J.; Lu, W.J.; Du, J.J.; Sun, Y.P.

2005-01-01

We have investigated the optimally doped manganite La 0.67 Ca 0.33 MnO 3 by measurements of the resistivity ρ, magnetization M, Young's modulus E and internal friction Q - 1 . A remarkable peak in the Q - 1 curve is observed in the paramagnetic (PM) region, and it is attributed to the formation of magnetic clusters. Furthermore, this peak is characteristic of thermally activated relaxation. Our observation is discussed combined with the analysis of the electrical transport and magnetic properties in PM region

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

International Nuclear Information System (INIS)

Skaleric, U.; Gaspirc, B.; Cevc, P.; Schara, M.

1998-01-01

Human dental cementum was analyzed by electron paramagnetic resonance (EPR). The measured EPR powder spectra of γ-irradiated cementum resembled those of γirradiated 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 1 =2.0023 and g 2 =1.9971±0.0002, and are assignable to the CO 3 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)

Electron paramagnetic resonance detection of carotenoid triplet states

International Nuclear Information System (INIS)

Frank, H.A.; Bolt, J.D.; deCosta, S.M.; Sauer, K.

1980-01-01

Triplet states of carotenoids have been detected by X-band electron paramagnetic resonance (EPR) and are reported here for the first time. The systems in which carotenoid triplets are observed include cells of photosynthetic bacteria, isolated bacteriochlorophyll-protein complexes, and detergent micelles which contain β-carotene. It is well known that if electron transfer is blocked following the initial acceptor in the bacterial photochemical reaction center, back reaction of the primary radical pair produces a bacteriochlorophyll dimer triplet. Previous optical studies have shown that in reaction centers containing carotenoids the bacteriochlorophyll dimer triplet sensitizes the carotenoid triplet. We have observed this carotenoid triplet state by EPR in reaction centers of Rhodopseudomonas sphaeroides, strain 2.4.1 (wild type), which contain the carotenoid spheroidene. The zero-field splitting parameters of the triplet spectrum are /D/ = 0.0290 +- 0.0005 cm -1 and /E/ = 0.0044 +-0.0006 cm -1 , in contrast with the parameters of the bacteriochlorophyll dimer triplet, which are /D/ = 0.0189 +- 0.0004 cm -1 and /E/ = 0.0032 +- 0.004 cm -1 . Bacteriochlorophyll in a light harvesting protein complex from Rps. sphaeroides, wild type, also sensitizes carotenoid triplet formation. In whole cells the EPR spectra vary with temperature between 100 and 10 K. Carotenoid triplets also have been observed by EPR in whole cells of Rps. sphaeroides and cells of Rhodospirillum rubrum which contain the carotenoid spirilloxanthin. Attempts to observe the triplet state EPR spectrum of β-carotene in numerous organic solvents failed. However, in nonionic detergent micelles and in phospholipid bilayer vesicles β-carotene gives a triplet state spectrum with /D/ = 0.0333 +- 0.0010 cm -1 and /E/ = 0.0037 +- 0.0010 cm -1 . 6 figures, 1 table

Electron paramagnetic resonance of gamma irradiated (CH3)3NHClO4 and CH3NH3ClO4 single crystals

International Nuclear Information System (INIS)

Yavuz, Metin; Koeksal, Fevzi

1999-01-01

Gamma irradiation damage centers in (CH 3 ) 3 NHClO 4 and CH 3 NH 3 ClO 4 single crystals have been investigated at room temperature by the electron paramagnetic resonance (EPR) technique. It has been found that γ-irradiation produces the (CH 3 ) 3 N + radical in the first, and NH + 3 and ClO 3 radicals in the second compound. The EPR parameters of the observed radicals have been determined and discussed

Electron paramagnetic resonance dosimetry in fingernails

International Nuclear Information System (INIS)

Romanyukha, Alex; Benevides, Luis A.; Reyes, Ricardo; Trompier, Francois; Clairand, Isabelle; Swartz, Harold M.

2008-01-01

Full text: Based on the capabilities of new instrumentation and the experience gained in the use of teeth for 'after-the-fact' dosimetry, we have undertaken a systematic electron paramagnetic resonance (EPR) study of irradiated fingernails. There have been only a modest number of previous studies of radiation-induced signals in fingernails. While these have given us some promising aspects, overall results have been inconsistent. The most significant problem of EPR fingernail dosimetry is the presence of two signals of non-radiation origin that overlap the radiation-induced signal (RIS), making it almost impossible to do dose measurements below 5 Gy. Historically, these two non-radiation components were named mechanically-induced signal (MIS) and background signal (BKS). In order to investigate them in detail, three different methods of MIS and BKS mutual isolation have been developed and implemented. Having applied these methods, we were able to understand that fingernail tissue, after cut, can be modeled as a deformed sponge, where the MIS and BKS are associated with the stress from elastic and plastic deformations respectively. A sponge has a unique mechanism of mechanical stress absorption, which is necessary for fingernails in order to perform its everyday function of protecting the fingertips from hits and trauma. Like a sponge, fingernails are also known to be an effective water absorber. When a sponge is saturated with water, it tends to restore to its original shape, and when it looses water, it becomes deformed again. The same happens to fingernail tissue. Our suggested interpretation of the mechanical deformation in fingernails gives also a way to distinguish between the MIS and RIS. Obtained results show that the MIS in irradiated fingernails can be almost completely eliminated without a significant change to the RIS by soaking the sample for 10 minutes in water. This is an ongoing study but even at its present state of development, it has shown that it

Advantages of paramagnetic chemical exchange saturation transfer (CEST) complexes having slow to intermediate water exchange properties as responsive MRI agents.

Science.gov (United States)

Soesbe, Todd C; Wu, Yunkou; Dean Sherry, A

2013-07-01

Paramagnetic chemical exchange saturation transfer (PARACEST) complexes are exogenous contrast agents that have great potential to further extend the functional and molecular imaging capabilities of magnetic resonance. As a result of the presence of a central paramagnetic lanthanide ion (Ln(3+) ≠ La(3+) , Gd(3+) , Lu(3+) ) within the chelate, the resonance frequencies of exchangeable protons bound to the PARACEST agent are shifted far away from the bulk water frequency. This large chemical shift, combined with an extreme sensitivity to the chemical exchange rate, make PARACEST agents ideally suited for the reporting of significant biological metrics, such as temperature, pH and the presence of metabolites. In addition, the ability to turn PARACEST agents 'off' and 'on' using a frequency-selective saturation pulse gives them a distinct advantage over Gd(3+) -based contrast agents. A current challenge for PARACEST research is the translation of the promising in vitro results into in vivo systems. This short review article first describes the basic theory behind PARACEST contrast agents, their benefits over other contrast agents and their applications to MRI. It then describes some of the recent PARACEST research results: specifically, pH measurements using water molecule exchange rate modulation, T2 exchange contrast caused by water molecule exchange, the use of ultrashort TEs (TE < 10 µs) to overcome T2 exchange line broadening and the potential application of T2 exchange as a new contrast mechanism for MRI. Copyright © 2012 John Wiley & Sons, Ltd.

Electronic paramagnetic resonance in the Mn In X (X:Te,S) diluted magnetic semiconductor system

International Nuclear Information System (INIS)

Vincent, Bernardo; Betancourt, Luis; Sagredo, Vicente; Alcala, Rafael

1996-01-01

Semiconductor compounds wit the II-III-VI stoichiometry are very interesting materials since they present very good semiconducting characteristics and, along with strong magnetic properties, these II Mn In VI compounds have a great potential as opt and magneto-electronic devices. Among the possible magnetic properties of the materials is the presence of the spin-glass phase. Electron paramagnetic resonance is one of the techniques used to confirm this phase. The chosen crystals were chosen by chemical vapor transport. The absorption lines of these two families with 0.1 x 1 were all Lorentzian in shape and centred at g=2. A large broadening of the resonance line width was observed when lowering the temperature to below 80 K. This behaviour was fitted to the known existing models, and good values of the calculated parameters were obtained (author)

Electron paramagnetic resonance of globin proteins - a successful match between spectroscopic development and protein research

Science.gov (United States)

Van Doorslaer, Sabine; Cuypers, Bert

2018-02-01

At the start of the twenty-first century, the research into the haem-containing globins got a considerable impetus with the discovery of three new mammalian globins: neuroglobin, cytoglobin and androglobin. Globins are by now found in all kingdoms of life and, in many cases, their functions are still under debate. This revival in globin research increased the demand for adequate physico-chemical research tools to determine the structure-function relationships of these proteins. From early days onwards, electron paramagnetic resonance (EPR) has been used in globin research. In recent decades, the field of EPR has been revolutionised with the introduction of many new pulsed and high-field EPR techniques. In this review, we highlight how EPR has become an essential tool in globin research, and how globins equally provide ideal model systems to push technical developments in EPR.

Determination of azide in biological fluids by use of electron paramagnetic resonance

International Nuclear Information System (INIS)

Minakata, Kayoko; Suzuki, Osamu

2005-01-01

A simple and sensitive method has been developed for the determination of azide ion (N 3 - ) in biological fluids and beverages. The procedure was based on the formation of a ternary complex Cu(N 3 ) 2 (4-methylpyridine) x in benzene, followed by its detection by electron paramagnetic resonance. The complex in benzene showed a characteristic four-peak hyperfine structure with a g-value of 2.115 at room temperature. Cu 2+ reacted with N 3 - most strongly among common metals found in biological fluids. Several anions and metal ions in biological fluids did not interfere with the determination of N 3 - in the presence of large amounts of Cu 2+ and oxidants. In the present method, N 3 - at the concentration from 5 μM to 2 mM in 100 μl solution could be determined with the detection limit of 20 ng. The recoveries were more than 95% for N 3 - added to 100 μl of blood, urine, milk and beverages at 200 μM. Our method is recommendable because it takes less than 10 min to determine N 3 - and the produced complex is quite stable

Oxygen-related 1-platinum defects in silicon: An electron paramagnetic resonance study

Science.gov (United States)

Juda, U.; Scheerer, O.; Höhne, M.; Riemann, H.; Schilling, H.-J.; Donecker, J.; Gerhardt, A.

1996-09-01

A monoclinic 1-platinum defect recently detected was investigated more thoroughly by electron paramagnetic resonance (EPR). The defect is one of the dominating defects in platinum doped silicon. With a perfect reproducibility it is observed in samples prepared from n-type silicon as well as from p-type silicon, in float zone (FZ) silicon as well as in Czochralski (Cz) silicon. Its concentration varies with the conditions of preparation and nearly reaches that of isolated substitutional platinum in Cz silicon annealed for 2 h at 540 °C after quenching from the temperature of platinum diffusion. Because of its concentration which in Cz-Si exceeds that in FZ-Si the defect is assumed to be oxygen-related though a hyperfine structure with 17O could not be resolved. The defect causes a level close to the valence band. This is concluded from variations of the Fermi level and from a discussion of the spin Hamiltonian parameters. In photo-EPR experiments the defect is coupled to recently detected acceptorlike self-interstitial related defects (SIRDs); their level position turns out to be near-midgap. These defects belong to the lifetime limiting defects in Pt-doped Si.

Towards improving the detection limit of electron paramagnetic resonance (EPR) dosimetry of drywall (wallboard)

Energy Technology Data Exchange (ETDEWEB)

Mistry, R.; Thompson, J.W. [Dept. of Medical Physics and Applied Radiation Sciences, McMaster Univ., Hamilton, Ontario (Canada); Rink, W.J. [School of Geography and Earth Sciences, McMaster Univ., Hamilton, Ontario (Canada); Boreham, D. [Dept. of Medical Physics and Applied Radiation Sciences, McMaster Univ., Hamilton, Ontario (Canada)

2009-07-01

The intensity of the electron paramagnetic resonance (EPR) line corresponding to the carbonate free radical (CO{sub 3}{sup -}) in gypsum (CaSO{sub 4}{center_dot}2H{sub 2}O) drywall was previously shown to be proportional to absorbed dose. Heating irradiated drywall reduces the radiosensitive signal of the CO{sub 3}{sup -} radical. The response of the CO{sub 3}{sup -} EPR line to heat treatments is being studied in order to determine a background for an arbitrary drywall sample. Ultimately this is expected to improve the precision of dose measurements with drywall and to reduce the detection limit. Controlled heating of irradiated drywall was performed at temperatures between 50{sup o}C and 100{sup o}C. Although higher temperatures reduce the radiosensitive signal rapidly, the non-radiosensitive EPR signals are affected dramatically as well, presumably due to a phrase change from gypsum to plaster of Paris to anhydrite. (author)

Electrochemistry and electron paramagnetic resonance spectroscopy of cytochrome c and its heme-disrupted analogs.

Science.gov (United States)

Novak, David; Mojovic, Milos; Pavicevic, Aleksandra; Zatloukalova, Martina; Hernychova, Lenka; Bartosik, Martin; Vacek, Jan

2018-02-01

Cytochrome c (cyt c) is one of the most studied conjugated proteins due to its electron-transfer properties and ability to regulate the processes involved in homeostasis or apoptosis. Here we report an electrochemical strategy for investigating the electroactivity of cyt c and its analogs with a disrupted heme moiety, i.e. apocytochrome c (acyt c) and porphyrin cytochrome c (pcyt c). The electrochemical data are supplemented with low-temperature and spin-probe electron paramagnetic resonance (EPR) spectroscopy. The main contribution of this report is a complex evaluation of cyt c reduction and oxidation at the level of surface-localized amino acid residues and the heme moiety in a single electrochemical scan. The electrochemical pattern of cyt c is substantially different to both analogs acyt c and pcyt c, which could be applicable in further studies on the redox properties and structural stability of cytochromes and other hemeproteins. Copyright © 2017 Elsevier B.V. All rights reserved.

Investigation of Mn Implanted LiNbO3 applying electron paramagnetic resonance technique

International Nuclear Information System (INIS)

Darwish, A.; Ila, D.; Poker, D.B.; Hensley, D.K.

1997-10-01

The effect of ion implantation on the LiNbO 3 crystal is studied using electron paramagnetic resonance spectroscopy (EPR). EPR measurements on these crystals were performed as a function of ion species Mn and Fe and fluence at room temperature. Also the effect of the laser illumination on the EPR signal was determined by illuminating the crystal in situ and measuring the decay and growth of the EPR signal. LiNbO 3 :Mn 2+ at a depth of approximately 200 nm was formed by implantation of 2.5 x 10 14 Mncm 2 and 1 x 10 17 Mn/cm 2 at 2 MeV. The implanted samples were compared with bulk doped crystals. It was found that the decay and growth of Mn EPR for the implanted crystal is very small compared with the bulk doped LiNbO 3 :Mn crystal. This was found to be primarily due to the spin concentration on the crystals. On the other, hand the decay time of the high fluence is about 40% slower than the decay of the low fluence implanted crystal

Cation Binding to Xanthorhodopsin: Electron Paramagnetic Resonance and Magnetic Studies.

Science.gov (United States)

Smolensky Koganov, Elena; Leitus, Gregory; Rozin, Rinat; Weiner, Lev; Friedman, Noga; Sheves, Mordechai

2017-05-04

Xanthorhodopsin (xR) is a member of the retinal protein family and acts as a proton pump in the cell membranes of the extremely halophilic eubacterium Salinibacter ruber. In addition to the retinal chromophore, xR contains a carotenoid, which acts as a light-harvesting antenna as it transfers 40% of the quanta it absorbs to the retinal. Our previous studies have shown that the CD and absorption spectra of xR are dramatically affected due to the protonation of two different residues. It is still unclear whether xR can bind cations. Electron paramagnetic resonance (EPR) spectroscopy used in the present study revealed that xR can bind divalent cations, such as Mn 2+ and Ca 2+ , to deionized xR (DI-xR). We also demonstrate that xR can bind 1 equiv of Mn 2+ to a high-affinity binding site followed by binding of ∼40 equiv in cooperative manner and ∼100 equiv of Mn 2+ that are weakly bound. SQUID magnetic studies suggest that the high cooperative binding of Mn 2+ cations to xR is due to the formation of Mn 2+ clusters. Our data demonstrate that Ca 2+ cations bind to DI-xR with a lower affinity than Mn 2+ , supporting the assumption that binding of Mn 2+ occurs through cluster formation, because Ca 2+ cations cannot form clusters in contrast to Mn 2+ .

Biophysical dose measurement using electron paramagnetic resonance in rodent teeth

International Nuclear Information System (INIS)

Khan, R.F.H.; Rink, W.J.; Boreham, D.R.

2003-01-01

Electron paramagnetic resonance (EPR) dosimetry of human tooth enamel has been widely used in measuring radiation doses in various scenarios. However, there are situations that do not involve a human victim (e.g. tests for suspected environmental overexposures, measurements of doses to experimental animals in radiation biology research, or chronology of archaeological deposits). For such cases we have developed an EPR dosimetry technique making use of enamel of teeth extracted from mice. Tooth enamel from both previously irradiated and unirradiated mice was extracted and cleaned by processing in supersaturated KOH aqueous solution. Teeth from mice with no previous irradiation history exhibited a linear EPR response to the dose in the range from 0.8 to 5.5 Gy. The EPR dose reconstruction for a preliminarily irradiated batch resulted in the radiation dose of (1.4±0.2) Gy, which was in a good agreement with the estimated exposure of the teeth. The sensitivity of the EPR response of mouse enamel to gamma radiation was found to be half of that of human tooth enamel. The dosimetric EPR signal of mouse enamel is stable up at least to 42 days after exposure to radiation. Dose reconstruction was only possible with the enamel extracted from molars and premolars and could not be performed with incisors. Electron micrographs showed structural variations in the incisor enamel, possibly explaining the large interfering signal in the non-molar teeth

A novel paramagnetic substrate for detecting myeloperoxidase activity in vivo.

Science.gov (United States)

Shazeeb, Mohammed S; Xie, Yang; Gupta, Suresh; Bogdanov, Alexei A

2012-01-01

Bis-phenylamides and bis-hydroxyindolamides of diethylenetriaminepentaacetic acid-gadolinium (DTPA(Gd)) are paramagnetic reducing substrates of peroxidases that enable molecular imaging of peroxidase activity in vivo. Specifically, gadolinium chelates of bis-5-hydroxytryptamide-DTPA (bis-5HT-DTPA(Gd)) have been used to image localized inflammation in animal models by detecting neutrophil-derived myeloperoxidase (MPO) activity at the inflammation site. However, in other preclinical disease models, bis-5HT-DTPA(Gd) presents technical challenges due to its limited solubility in vivo. Here we report a novel MPO-sensing probe obtained by replacing the reducing substrate serotonin (5-HT) with 5-hydroxytryptophan (HTrp). Characterization of the resulting probe (bis-HTrp-DTPA(Gd)) in vitro using nuclear magnetic resonance spectroscopy and enzyme kinetic analysis showed that bis-HTrp-DTPA(Gd) (1) improves solubility in water; (2) acts as a substrate for both horseradish peroxidase and MPO enzymes; (3) induces cross-linking of proteins in the presence of MPO; (4) produces oxidation products, which bind to plasma proteins; and (5) unlike bis-5HT-DTPA(Gd), does not follow first-order reaction kinetics. In vivo magnetic resonance imaging (MRI) in mice demonstrated that bis-HTrp-DTPA(Gd) was retained for up to 5 days in MPO-containing sites and cleared faster than bis-5HT-DTPA(Gd) from MPO-negative sites. Bis-HTrp-DTPA(Gd) should offer improvements for MRI of MPO-mediated inflammation in vivo, especially in high-field MRI, which requires a higher dose of contrast agent.

Electron paramagnetic resonance study of exchange coupled Ce.sup.3+./sup. ions in Lu.sub.2./sub.SiO.sub.5./sub. single crystal scintillator

Czech Academy of Sciences Publication Activity Database

Buryi, Maksym; Laguta, Valentyn; Rosa, Jan; Nikl, Martin

2016-01-01

Roč. 90, Jul (2016), s. 23-26 ISSN 1350-4487 R&D Projects: GA ČR GAP204/12/0805; GA MŠk(CZ) LM2011029; GA MŠk LO1409 Institutional support: RVO:68378271 Keywords : electron paramagnetic resonance * scintillators * lutetium oxyorthosilicate * exchange coupled ions * cerium ions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.442, year: 2016

A compensating point defect in carbon-doped GaN substrates studied with electron paramagnetic resonance spectroscopy

Science.gov (United States)

Willoughby, W. R.; Zvanut, M. E.; Paudel, Subash; Iwinska, M.; Sochacki, T.; Bockowski, M.

2018-04-01

Electron paramagnetic resonance (EPR) spectroscopy was used to investigate a type of point defect present in 1019 cm-3 carbon-doped GaN substrates grown by hydride vapor phase epitaxy. A broad, isotropic resonance at g ˜ 1.987 was observed at 3.5 K, and the EPR intensity increased with illumination at energies greater than 2.75 eV and decreased with photon energies greater than 0.95 eV. The latter is consistent with a deep level of 0.95 eV above the valence band maximum and implies that the associated defect likely participates in donor compensation. The ionization energy for this defect is close to the predicted value for the (-/0) transition level of CN and transition levels associated with Ga vacancies such as VGa and VGa-ON-2H.

Studying metal impurities (Mn2+, Cu2+, Fe3+) in calcium phosphates by electron paramagnetic resonance

Science.gov (United States)

Iskhakova, K.; Murzakhanov, F.; Mamin, G.; Putlyaev, V.; Klimashina, E.; Fadeeva, I.; Fomin, A.; Barinov, S.; Maltsev, A.; Bakhteev, S.; Yusupov, R.; Gafurov, M.; Orlinskii, S.

2018-05-01

Calcium phosphates (CaP) are exploited in many fields of science, including geology, chemistry, biology and medicine due to their abundance in the nature and presence in the living organism. Various analytical and biochemical methods are used for controlling their chemical content, structure, morphology, etc. Unfortunately, magnetic resonance techniques are usually not even considered as necessary tools for CaP inspection. Some aspects of application of the commercially realized electron paramagnetic resonance (EPR) approaches for characterization of CaP powders and ceramics (including the nanosized materails) such as hydroxyapatite and tricalcium phosphates of biogenic and synthetic origins containing intrinsic impurities or intentional dopants are demonstrated. The key features and advantages of the EPR techniques for CaP based materials characterization that could compliment the data obtained with the recognized analytical methods are pointed out.

Paramagnetic relaxation enhancements in NMR peptide-membrane interaction studies

International Nuclear Information System (INIS)

Kosol, S.

2011-01-01

Small membrane-bound proteins or peptides are involved in numerous essential biological processes, like cellular recognition, signaling, channel formation, and cytolysis. The secondary structure, orientation, mode of interaction and dynamics of these peptides can be as varied as their functions. Their localization in the membrane, the immersion depth, and their binding mode are factors critical to the function of these peptides. The atomic 3D solution structure of peptides bound to micelles can be determined by NMR spectroscopy. However, by employing paramagnetic relaxation enhancements (PREs) information on the complete topology of peptide bound to a micelle can be obtained. The antimicrobial peptide maximin H6, fst, a bacterial toxin, and the human peptide hormone ghrelin served as membrane-bound model peptides of similar sizes but strongly differing amino acid sequences. Their structures and binding behavior were determined and compared.The measured PREs provided suitable data for determining and distinguishing the different topologies of the investigated peptides bound to micelles. Maximin H6 and fst fold into α-helices upon insertion into a membrane, whereas the unstructured ghrelin is freely mobile in solution and interacts only via a covalently bound octanoyl group with the lipids. Maximin H6 is oriented parallel to the membrane surface, enabling the peptide to aggregate at the membrane water interface. Fst binds in transmembrane orientation with a protruding intrinsically disordered region near the C-terminus. Aside from determining the orientation of the bound peptides from the PREs, the moieties critical for membrane binding could be mapped in ghrelin. If suitable relaxation-edited spectra are acquired, the complete orientation and immersion depth of a peptide bound to a micelle can readily be obtained. (author) [de

Radiation dosimetry in human bone using electron paramagnetic resonance

International Nuclear Information System (INIS)

Breen, S.L.

1995-01-01

Accurate measurements of dose in bone are required in order to improve the dosimetry of systemic radiotherapy for osseous metastases. Bone is an integrating dosimeter which records the radiation history of the skeleton. During irradiation, electrons become trapped in the crystalline component of bone mineral (hydroxyapatite). The traps are very stable; at room temperature, emptying of the traps occurs with a half-life of many years. The population of trapped unpaired electrons is proportional to the radiation dose administered to the bone and can be measured in excised bone samples using electron paramagnetic resonance (EPR). EPR spectra of synthetic hydroxyapatite, irradiated with Co-60, were obtained at room temperature and at 77 K. At room temperature, the radiation-induced signal, with a g-value of 2.001 ± 0.001 increased linearly with absorbed dose above a lower threshold of 3 Gy, up to doses of 200 Gy. In contrast with pure hydroxyapatite, EPR spectra of excised human bone showed a broad 'native' signal, due to the organic component of bone, which masks the dosimetrically important signal. This native signal is highly variable from sample to sample and precludes the use of EPR as an absolute dosimetry technique. However, after subtraction of the background signal, irradiated human bone showed a linear response with a lower limit of measurement similar to that of synthetic hydroxyapatite. Bone is an in vivo linear dosimeter which can be exploited to develop accurate estimates of the radiation dose delivered during systemic radiotherapy and teletherapy. However, improved sensitivity of the EPR dosimetry technique is necessary before it can be applied reliably in clinical situations. (author)

Anomalous magnetism and electron paramagnetic resonance spectroscopy of the ZrNi1-xCrxSn solid solution

International Nuclear Information System (INIS)

Stadnyk, Y.V.; Skolozdra, R.V.; Gorelenko, Y.K.; Romaka, L.P.; Jankowska-Frydel, A.; Grinberg, M.

2000-01-01

The static magnetic properties and electron paramagnetic resonance (EPR) spectra of ZrNi 1-x Cr x Sn solid solution (0 pp =(120±5)G type and g=1.980±0.001, peak-to-peak width ΔH pp =(10±1)G, respectively. They have been attributed to Cr 3+ ions in Ni-sites of the lattice coupled by magnetic dipolar interaction (type I) and to exchange coupled Cr 3+ pairs or clusters of more than two Cr 3+ ions (type II). The third line detected in the samples with x=0.3,0.4 characterised by g eff =2.0003±0.0001 and ΔH pp =(3.0±0.5)G has been interpreted as conduction electron spin resonance (CESR). (orig.)

Formation of intermediate structures during the thermal transformation of lignin. 5. Contribution of the reactions of formation and recombination of paramagnetic centres

Energy Technology Data Exchange (ETDEWEB)

Domburg, G E; Skripchenko, T N

1982-01-01

ESR spectra were determined for samples of softwood (spruce) lignin and hardwood (aspen or birch) lignin at 20-400 degrees C and after cooling to 20 degrees C. Results provide evidence for a change from low-temperature to high-temperature reactions at 300-350 degrees C (higher in hardwoods than softwoods) associated with increased formation and recombination of paramagnetic centres (free radicals). A scheme is presented for the sequence of reactions leading to charcoal formation over the temperature range 100-500 degrees C.

Ferromagnetism versus slow paramagnetic relaxation in Fe-doped Li3N

Science.gov (United States)

Fix, M.; Jesche, A.; Jantz, S. G.; Bräuninger, S. A.; Klauss, H.-H.; Manna, R. S.; Pietsch, I. M.; Höppe, H. A.; Canfield, P. C.

2018-02-01

We report on isothermal magnetization, Mössbauer spectroscopy, and magnetostriction as well as temperature-dependent alternating-current (ac) susceptibility, specific heat, and thermal expansion of single crystalline and polycrystalline Li2(Li1 -xFex) N with x =0 and x ≈0.30 . Magnetic hysteresis emerges at temperatures below T ≈50 K with coercivity fields of up to μ0H =11.6 T at T =2 K and magnetic anisotropy energies of 310 K (27 meV). The ac susceptibility is strongly frequency-dependent (f =10 -10 000 Hz) and reveals an effective energy barrier for spin reversal of Δ E ≈1100 K (90 meV). The relaxation times follow Arrhenius behavior for T >25 K . For T <10 K , however, the relaxation times of τ ≈1010 s are only weakly temperature-dependent, indicating the relevance of a quantum tunneling process instead of thermal excitations. The magnetic entropy amounts to more than 25 J molFe-1 K-1, which significantly exceeds R ln 2 , the value expected for the entropy of a ground-state doublet. Thermal expansion and magnetostriction indicate a weak magnetoelastic coupling in accordance with slow relaxation of the magnetization. The classification of Li2(Li1 -xFex) N as ferromagnet is stressed and contrasted with highly anisotropic and slowly relaxing paramagnetic behavior.

Electron Paramagnetic Resonance Spectrometry and Imaging in Melanomas: Comparison between Pigmented and Nonpigmented Human Malignant Melanomas

Directory of Open Access Journals (Sweden)

Quentin Godechal

2013-06-01

Full Text Available It has been known for a long time that the melanin pigments present in normal skin, hair, and most of malignant melanomas can be detected by electron paramagnetic resonance (EPR spectrometry. In this study, we used EPR imaging as a tool to map the concentration of melanin inside ex vivo human pigmented and nonpigmented melanomas and correlated this cartography with anatomopathology. We obtained accurate mappings of the melanin inside pigmented human melanoma samples. The signal intensity observed on the EPR images correlated with the concentration of melanin within the tumors, visible on the histologic sections. In contrast, no EPR signal coming from melanin was observed from nonpigmented melanomas, therefore demonstrating the absence of EPR-detectable pigments inside these particular cases of skin cancer and the importance of pigmentation for further EPR imaging studies on melanoma.

The tight binding model study of the role of band filling on the charge gap in graphene-on-substrate in paramagnetic state

Science.gov (United States)

Panda, Rudrashish; Sahu, Sivabrata; Rout, G. C.

2017-05-01

We communicate here a tight binding theoretical model study of the band filling effect on the charge gap in graphene-on-substrate. The Hamiltonian consists of nearest neighbor electron hopping and substrate induced gap. Besides this the Coulomb interaction is considered here within mean-field approximation in the paramagnetic limit. The electron occupancies at two sublattices are calculated by Green's function technique and are solved self consistently. Finally the charge gap i.e. Δ ¯=U [ - ] is calculated and computed numerically. The results are reported.

A Novel Paramagnetic Substrate for Detecting Myeloperoxidase Activity in Vivo

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Mohammed S. Shazeeb

2012-09-01

Full Text Available Bis-phenylamides and bis-hydroxyindolamides of diethylenetriaminepentaacetic acid-gadolinium (DTPA(Gd are paramagnetic reducing substrates of peroxidases that enable molecular imaging of peroxidase activity in vivo. Specifically, gadolinium chelates of bis-5-hydroxytryptamide-DTPA (bis-5HT-DTPA(Gd have been used to image localized inflammation in animal models by detecting neutrophil-derived myeloperoxidase (MPO activity at the inflammation site. However, in other preclinical disease models, bis-5HT-DTPA(Gd presents technical challenges due to its limited solubility in vivo. Here we report a novel MPO-sensing probe obtained by replacing the reducing substrate serotonin (5-HT with 5-hydroxytryptophan (HTrp. Characterization of the resulting probe (bis-HTrp-DTPA(Gd in vitro using nuclear magnetic resonance spectroscopy and enzyme kinetic analysis showed that bis-HTrp-DTPA(Gd (1 improves solubility in water; (2 acts as a substrate for both horseradish peroxidase and MPO enzymes; (3 induces cross-linking of proteins in the presence of MPO; (4 produces oxidation products, which bind to plasma proteins; and (5 unlike bis-5HT-DTPA(Gd, does not follow first-order reaction kinetics. In vivo magnetic resonance imaging (MR! in mice demonstrated that bis-HTrp-DTPA(Gd was retained for up to 5 days in MPO-containing sites and cleared faster than bis-5HT-DTPA(Gd from MPO-negative sites. Bis-HTrp-DTPA(Gd should offer improvements for MR! of MPO-mediated inflammation in vivo, especially in high-field MR!, which requires a higher dose of contrast agent.

Engineering of Highly Susceptible Paramagnetic Nanostructures of Gd2S3:Eu3+: Potentially an Efficient Material for Room Temperature Gas Sensing Applications

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Muhammed M. Radhi

2010-11-01

Full Text Available This research papers throws light into the compositional, morphological and structural properties of novel nanoparticles of Gd2S3:Eu3+ synthesized by a simple co-precipitation technique. Furthermore, we also prognosticate that this material could be useful for gas sensing applications at room temperature. Nanostructures formulation by this method resulted in the formation of orthorhombic crystal structure with primitive lattice having space group Pnma. The material characterizations are performed using X-ray diffraction (XRD, energy dispersive X-ray analysis (EDX, thermo-gravimetric analysis/differential thermal analysis (TGA/DTA and transmission electron microscope (TEM. The calculated crystallite sizes are ~ 2-5 nm and are in well accordance with the HRTEM results. EDX result confirms the presence and homogeneous distribution of Gd and Eu throughout the nanoparticle. The prepared nanoparticles exhibit strong paramagnetic nature with paramagnetic term, susceptibility c = 8.2 ´ 10-5 emg/g Gauss. TGA/DTA analysis shows 27 % weight loss with rise in temperature. The gas sensing capability of the prepared Gd2S3:Eu3+ magnetic nanoparticles are investigated using the amperometric method. These nanoparticles show good I-V characteristics with ideal semiconducting nature at room temperature with and without ammonia dose. The observed room temperature sensitivity with increasing dose of ammonia indicates applicability of Gd2S3 nanoparticles as room temperature ammonia sensors.

Direct rate assessment of laccase catalysed radical formation in lignin by electron paramagnetic resonance spectroscopy

DEFF Research Database (Denmark)

Munk, Line; Andersen, Mogens Larsen; Meyer, Anne S.

2017-01-01

Laccases (EC 1.10.3.2) catalyse removal of an electron and a proton from phenolic hydroxyl groups, including phenolic hydroxyls in lignins, to form phenoxy radicals during reduction of O2. We employed electron paramagnetic resonance spectroscopy (EPR) for real time measurement of such catalytic...... to suspensions of the individual lignin samples produced immediate time and enzyme dose dependent increases in intensity in the EPR signal with g-values in the range 2.0047–2.0050 allowing a direct quantitative monitoring of the radical formation and thus allowed laccase enzyme kinetics assessment on lignin...... for the radical formation rate in organosolv lignin was determined by response surface methodology to pH 4.8, 33 °C and pH 5.8, 33 °C for the Tv laccase and the Mt laccase, respectively. The results verify direct radical formation action of fungal laccases on lignin without addition of mediators and the EPR...

Some recent multi-frequency electron paramagnetic resonance results on systems relevant for dosimetry and dating.

Science.gov (United States)

Callens, F; Vanhaelewyn, G; Matthys, P

2002-04-01

Electron Paramagnetic Resonance (EPR) applications like e.g. EPR dosimetry and dating, are usually performed at X-band frequencies because of practical reasons (cost, sample size, etc.). However, it is increasingly recognized that the radiation-induced EPR signals are strongly composite, what might affect dose/age estimates. A few recent examples from both the dosimetry and dating field, illustrating the problems, will be presented. The involved spectra are mainly due to carbonate-derived radicals (CO2-, CO3(3-), etc.). Measurements at higher microwave frequencies are often recommended to improve the insight into the spectra and/or the practical signal quantification. Recent results at Q- and W-band frequencies will show that a multi-frequency approach indeed opens many interesting perspectives in this field but also that each frequency may have specific (dis)advantages depending on the EPR probe and application involved. The discussion will concern carbonate-containing apatite single crystals, shells, modern and fossil tooth enamel.

Spectroscopic and photoacoustic characterization of encapsulated iron oxide super-paramagnetic nanoparticles as a new multiplatform contrast agent

Science.gov (United States)

Armanetti, Paolo; Flori, Alessandra; Avigo, Cinzia; Conti, Luca; Valtancoli, Barbara; Petroni, Debora; Doumett, Saer; Cappiello, Laura; Ravagli, Costanza; Baldi, Giovanni; Bencini, Andrea; Menichetti, Luca

2018-06-01

Recently, a number of photoacoustic (PA) agents with increased tissue penetration and fine spatial resolution have been developed for molecular imaging and mapping of pathophysiological features at the molecular level. Here, we present bio-conjugated near-infrared light-absorbing magnetic nanoparticles as a new agent for PA imaging. These nanoparticles exhibit suitable absorption in the near-infrared region, with good photoacoustic signal generation efficiency and high photo-stability. Furthermore, these encapsulated iron oxide nanoparticles exhibit strong super-paramagnetic behavior and nuclear relaxivities that make them useful as magnetic resonance imaging (MRI) contrast media as well. Their simple bio-conjugation strategy, optical and chemical stability, and straightforward manipulation could enable the development of a PA probe with magnetic and spectroscopic properties suitable for in vitro and in vivo real-time imaging of relevant biological targets.

Relaxation study of a paramagnetic ion by the observation of nuclear resonance signals

International Nuclear Information System (INIS)

Landesman, A.

1960-01-01

Dynamic polarization of protons in water containing the paramagnetic ion NO(SO 3 ) 2 was studied, both theoretically and experimentally, as a function of magnetic field. The enhancement of the proton polarization depends appreciably on the relaxation process of the electron spin and so enables us to decide which is the real relaxation process. We tried the two following processes: a) The electron spin is coupled with the nitrogen magnetic moment by hyperfine interaction; if this interaction has an anisotropic part, a relaxation process for the electronic spin will result through the Brownian motion of the ion. b) The relaxation of the electron spin takes place through spin-orbit coupling of the electron spin. Experimental results showed that the relaxation took place through the second process with the help of dynamic polarization we were able to study the relaxation of an electron spin in a liquid without using any electron resonance spectrometer, simply by observing the resonance of a nuclear spin coupled with the electron spin. Reprint of a paper published in Le Journal de Physique et le Radium, t. 20, p. 937-948, 1959 [fr

New developments in high field electron paramagnetic resonance with applications in structural biology

International Nuclear Information System (INIS)

Bennati, Marina; Prisner, Thomas F

2005-01-01

Recent developments in microwave technologies have led to a renaissance of electron paramagnetic resonance (EPR) due to the implementation of new spectrometers operating at frequencies ≥90 GHz. EPR at high fields and high frequencies (HF-EPR) has been established up to THz (very high frequency (VHF) EPR) in continuous wave (cw) operation and up to about 300 GHz in pulsed operation. To date, its most prominent application field is structural biology. This review article first gives an overview of the theoretical basics and the technical aspects of HF-EPR methodologies, such as cw and pulsed HF-EPR, as well as electron nuclear double resonance at high fields (HF-ENDOR). In the second part, the article illustrates different application areas of HF-EPR in studies of protein structure and function. In particular, HF-EPR has delivered essential contributions to disentangling complex spectra of radical cofactors or reaction intermediates in photosynthetic reaction centres, radical enzymes (such as ribonucleotide reductase) and in metalloproteins. Furthermore, HF-EPR combined with site-directed spin labelling in membranes and soluble proteins provides new methods of investigating complex molecular dynamics and intermolecular distances

Automated genomic DNA purification options in agricultural applications using MagneSil paramagnetic particles

Science.gov (United States)

Bitner, Rex M.; Koller, Susan C.

2002-06-01

The automated high throughput purification of genomic DNA form plant materials can be performed using MagneSil paramagnetic particles on the Beckman-Coulter FX, BioMek 2000, and the Tecan Genesis robot. Similar automated methods are available for DNA purifications from animal blood. These methods eliminate organic extractions, lengthy incubations and cumbersome filter plates. The DNA is suitable for applications such as PCR and RAPD analysis. Methods are described for processing traditionally difficult samples such as those containing large amounts of polyphenolics or oils, while still maintaining a high level of DNA purity. The robotic protocols have ben optimized for agricultural applications such as marker assisted breeding, seed-quality testing, and SNP discovery and scoring. In addition to high yield purification of DNA from plant samples or animal blood, the use of Promega's DNA-IQ purification system is also described. This method allows for the purification of a narrow range of DNA regardless of the amount of additional DNA that is present in the initial sample. This simultaneous Isolation and Quantification of DNA allows the DNA to be used directly in applications such as PCR, SNP analysis, and RAPD, without the need for separate quantitation of the DNA.

Static and dynamic characteristics of the Cr.sup.3+./sup. EPR spectra in the Van Vleck paramagnet TmAl.sub.3./sub.(BO.sub.3./sub.).sub.4./sub.

Czech Academy of Sciences Publication Activity Database

Prokhorov, Andriy

2016-01-01

Roč. 51, č. 10 (2016), 4762-4768 ISSN 0022-2461 R&D Projects: GA MŠk(CZ) LM2011029 Institutional support: RVO:68378271 Keywords : EPR spectra * rare-earth * aluminum borates * spin Hamiltonian parameters * Van Vleck paramagnet Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.599, year: 2016

New method to measure the carbamoylating activity of nitrosoureas by electron paramagnetic resonance spectroscopy.

Science.gov (United States)

Gadzheva, V; Ichimori, K; Raikov, Z; Nakazawa, H

1997-08-01

A new method for measuring the carbamoylating activity of nitrosoureas and isocyanates using electron paramagnetic resonance (EPR) spectroscopy is described. The extent and time course of carbamoylation reaction of chloroethyl isocyanate and a series of 9 nitrosoureas toward amino group of 4-amino-2,2,6,6-tetramethyl-piperidine-1-oxyl were examined with both the EPR method and the HPLC method which has been proposed by Brubaker et al. [Biochem. Pharmacol. 35:2359 (1986)]. Spin-labeled nitrosoureas we synthesized are included in this study since they have less toxicity or more efficiency than commercially available drug in some cases. The concentration of carbamoylated product was easily determined with the EPR spectra. There is a very high correlation (r = 0.982, t = 2.58, N = 10, p nitrosoureas showed lower carbamoylating activity than non-labeled analogues. The carbamoylating activity for these nitrosourea depended on the reactivity of isocyanate intermediate and almost independent of their half life. This rapid and simple EPR method is suitable for the detailed investigation of the rate and extent of carbamoylation reaction.

The value of paramagnetic contrast agent gadolinium-DTPA in the diagnosis of pituitary adenomas

International Nuclear Information System (INIS)

Nakamura, T.; Schoerner, W.; Bittner, R.C.; Felix, R.

1988-01-01

The purpose of this study was to assess the role of MR imaging and the paramagnetic contrast agent Gadolinium-DYPA(Gd-DTPA) in the diagnosis of pituitary macroadenomas. 44 macroadenomas were examined with MRI before and after intravenous application of Gd-DTPA. Gd-DTPA produced excellent enhancement of solid adenoma. The best contrast between adenoma and surrounding structures could be gained on post-Gd T1-weighted images. Post-Gd images were equivalent to pre-Gd images in the evaluation of supra- and infrasellar extensions of macroadenomas. Post-Gd images had advantages in the evaluation of cavernous sinus invasion by adenoma. The difference in degree of contrast enhancement between adenoma and cavernous sinus facilitated the exact evaluation of lateral extension by adenoma in 18 cases. Almost equal degree of enhancement of both structures impaired tumor-sinus contrast in 2 cases. In the other 24 cases the tumor filled the cavernous sinus completely. It is our opinion that Gd-DTPA can be used on a widerspread basis because of its excellent capability to highlight and delineate pituitary adenomas. (orig.)

Anti-HER2 immunoliposomes for selective delivery of electron paramagnetic resonance imaging probes to HER2-overexpressing breast tumor cells

Science.gov (United States)

Burks, Scott R.; Macedo, Luciana F.; Barth, Eugene D.; Tkaczuk, Katherine H.; Martin, Stuart S.; Rosen, Gerald M.; Halpern, Howard J.; Brodie, Angela M.

2014-01-01

Electron paramagnetic resonance (EPR) imaging is an emerging modality that can detect and localize paramagnetic molecular probes (so-called spin probes) in vivo. We previously demonstrated that nitroxide spin probes can be encapsulated in liposomes at concentrations exceeding 100 mM, at which nitroxides exhibit a concentration-dependent quenching of their EPR signal that is analogous to the self-quenching of fluorescent molecules. Therefore, intact liposomes encapsulating high concentrations of nitroxides exhibit greatly attenuated EPR spectral signals, and endocytosis of such liposomes represents a cell-activated contrast-generating mechanism. After endocytosis, the encapsulated nitroxide is liberated and becomes greatly diluted in the intracellular milieu. This dequenches the nitroxides to generate a robust intracellular EPR signal. It is therefore possible to deliver a high concentration of nitroxides to cells while minimizing background signal from unendocytosed liposomes. We report here that intracellular EPR signal can be selectively generated in a specific cell type by exploiting its expression of Human Epidermal Growth Factor Receptor 2 (HER2). When targeted by anti-HER2 immunoliposomes encapsulating quenched nitroxides, Hc7 cells, which are novel HER2-overexpressing cells derived from the MCF7 breast tumor cell line, endocytose the liposomes copiously, in contrast to the parent MCF7 cells or control CV1 cells, which do not express HER2. HER2-dependent liposomal delivery enables Hc7 cells to accumulate 750 μM nitroxide intracellularly. Through the use of phantom models, we verify that this concentration of nitroxides is more than sufficient for EPR imaging, thus laying the foundation for using EPR imaging to visualize HER2-overexpressing Hc7 tumors in animals. PMID:20066490

Energy transfer and tunable multicolor emission and paramagnetic properties of GdF3:Dy(3+),Tb(3+),Eu(3+) phosphors.

Science.gov (United States)

Guan, Hongxia; Sheng, Ye; Xu, Chengyi; Dai, Yunzhi; Xie, Xiaoming; Zou, Haifeng

2016-07-20

A series of Dy(3+), Tb(3+), Eu(3+) singly or doubly or triply doped GdF3 phosphors were synthesized by a glutamic acid assisted one-step hydrothermal method. The samples were characterized by X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM) and photoluminescence (PL) spectroscopy. The results show that the synthesized samples are all pure GdF3. The obtained samples have a peanut-like morphology with a diameter of about 270 nm and a length of about 600 nm. Under UV excitation, GdF3:Dy(3+), GdF3:Tb(3+) and GdF3:Eu(3+) samples exhibit strong blue, green and red emissions, respectively. By adjusting their relative doping concentrations in the GdF3 host, the different color hues of green and red light are obtained by co-doped Dy(3+), Tb(3+) and Tb(3+), Eu(3+) ions in the GdF3 host, respectively. Besides, there exist two energy transfer pairs in the GdF3 host: (1) Dy(3+) → Tb(3+) and (2) Tb(3+) → Eu(3+). More significantly, in the Dy(3+), Tb(3+), and Eu(3+) tri-doped GdF3 phosphors, white light can also be achieved upon excitation of UV light by adjusting the doping concentration of Eu(3+). In addition, the obtained samples also exhibit paramagnetic properties at room temperature (300 K) and low temperature (2 K). It is obvious that multifunctional Dy(3+), Tb(3+), Eu(3+) tri-doped GdF3 materials including tunable multicolors and intrinsic paramagnetic properties may have potential applications in the field of full-color displays.

Paramagnetic relaxation enhancement of membrane proteins by incorporation of the metal-chelating unnatural amino acid 2-amino-3-(8-hydroxyquinolin-3-yl)propanoic acid (HQA)

Energy Technology Data Exchange (ETDEWEB)

Park, Sang Ho; Wang, Vivian S.; Radoicic, Jasmina; Angelis, Anna A. De; Berkamp, Sabrina; Opella, Stanley J., E-mail: sopella@ucsd.edu [University of California, San Diego, Department of Chemistry and Biochemistry (United States)

2015-04-15

The use of paramagnetic constraints in protein NMR is an active area of research because of the benefits of long-range distance measurements (>10 Å). One of the main issues in successful execution is the incorporation of a paramagnetic metal ion into diamagnetic proteins. The most common metal ion tags are relatively long aliphatic chains attached to the side chain of a selected cysteine residue with a chelating group at the end where it can undergo substantial internal motions, decreasing the accuracy of the method. An attractive alternative approach is to incorporate an unnatural amino acid that binds metal ions at a specific site on the protein using the methods of molecular biology. Here we describe the successful incorporation of the unnatural amino acid 2-amino-3-(8-hydroxyquinolin-3-yl)propanoic acid (HQA) into two different membrane proteins by heterologous expression in E. coli. Fluorescence and NMR experiments demonstrate complete replacement of the natural amino acid with HQA and stable metal chelation by the mutated proteins. Evidence of site-specific intra- and inter-molecular PREs by NMR in micelle solutions sets the stage for the use of HQA incorporation in solid-state NMR structure determinations of membrane proteins in phospholipid bilayers.

Assignment of hyperfine shifted haem methyl carbon resonances in paramagnetic low-spin met-cyano complex of sperm whale myoglobin

Energy Technology Data Exchange (ETDEWEB)

Yamamoto, Yasuhiko

1987-09-28

The hyperfine shifted resonances arising from all four individual haem carbons of the paramagnetic low-spin met-cyano complex of sperm whale myoglobin have been clearly identified and assigned for the first time with the aid of /sup 1/H-/sup 13/C heteronuclear chemical shift correlated spectroscopy. Alteration of the in-plane symmetry of the electronic structure of haem induced by the ligation of proximal histidyl imidazole spreads the haem carbon resonances to 32 ppm at 22/sup 0/C, indicating the sensitivity of those resonances to the haem electronic/molecular structure. Those resonances are potentially powerful probes in characterizing the nature of haem electronic structure. 25 refs.; 2 figs.; 1 table.

Experimental Model for Retrospective Assessment of X-Ray Exposures in Dento-Maxillary Radiology Measured by Electron Paramagnetic Resonance in Tooth Enamel

Directory of Open Access Journals (Sweden)

Ioana Costina DÂNŞOREANU

2009-12-01

Full Text Available Electron paramagnetic resonance (EPR dosimetry of human tooth enamel has been widely used in measuring radiation doses in various scenarios. For experimental purposes in X-ray diagnostic or therapy human persons can not be involved. For such cases we have developed an EPR dosimetry technique making use of enamel of molars extracted from pigs. The method can evaluate doses and dose-profiles of irradiated teeth at low level as 50 – 100 mGy (in air. EPR-spectra acquisition, data processing and dose assessment were done using non-dedicated equipment, devices and software.

Cathodoluminescence (CL) and electron paramagnetic resonance (EPR) studies of clay minerals

International Nuclear Information System (INIS)

Goetze, J.; Ploetze, M.; Goette, T.; Neuser, R.D.; Richter, D.K.

2002-01-01

Sheet silicates of the serpentine-kaolin-group (serpentine, kaolinite, dickite, nacrite, halloysite), the talc-pyrophyllite-group (talc, pyrophyllite), the smectite-group (montmorillonite), and illite (as a mineral of the mica-group) were investigated to obtain information concerning their cathodoluminescence behavior. The study included analyses by cathodoluminescence (CL microscopy and spectroscopy), electron paramagnetic resonance (EPR), x-ray diffraction (XRD), scanning electron microscopy (SEM) and trace element analysis. In general, all dioctahedral clay minerals exhibit a visible CL. Kaolinite, dickite, nacrite and pyrophyllite have a characteristic deep blue CL, whereas halloysite emission is in the greenish-blue region. On the contrary, the trioctahedral minerals (serpentine, talc) and illite do not show visible CL. The characteristic blue CL is caused by an intense emission band around 400 nm (double peak with two maxima at 375 and 410 nm). EPR measurements indicate that his blue emission can be related to radiation induced defect centers (RID), which occur as electron holes trapped on apical oxygen (Si-O center) or located at the Al-O-Al group (Al substituting Si in the tetrahedron). Additional CL emission bands were detected at 580 nm in halloysite and kaolinite, and between 700 and 800 nm in kaolinite, dickite, nacrite and pyrophyllite. Time-resolved spectral CL measurements show typical luminescence kinetics for the different clay minerals, which enable differentiation between the various dioctahedral minerals (e.g. kaolinite and dickite), even in thin section. (author)

In vivo colocalization of 2-nitroimidazole EF5 fluorescence intensity and electron paramagnetic resonance oximetry in mouse tumors

International Nuclear Information System (INIS)

Mahy, Pierre; Bast, Marc de; Gallez, Bernard; Gueulette, John; Koch, Cameron J.; Scalliet, Pierre; Gregoire, Vincent

2003-01-01

Background and purpose: The primary objective of this study was to establish in vivo the relationship between 2-2-nitro-1H-imidazol-1yl-N-(2,2,3,3,3-pentafluoropropyl)-acetamide (EF5) adduct formation and intratumoral oxygen concentrations measured by electron paramagnetic resonance (EPR) in a tumor model mimicking a clinical situation. The secondary objective was an attempt to calibrate in situ the immunofluorescence (IF) signal with EPR oximetry. Materials and methods: IM syngeneic fibrosarcoma (NFSA) bearing C3H mice were used. Three days after injection of a paramagnetic charcoal into the tumor, the mice were anesthetized, injected with the hypoxic marker EF5, and monitored every 20 min for 3 h with a low-frequency EPR spectrometer. Animals were allowed to breath either under 21 or 100% O 2 . Tumors were then harvested, frozen, cut into sections including the charcoal and processed for EF5 adducts detection using monoclonal antibodies. Slices were viewed with a fluorescence microscope and 190x140 μm areas surrounding the charcoal were digitized and analyzed with the NIH-Image and Adobe Photoshop TM software. The fluorescence intensity (FI) was measured in the whole pictures and in strips of 10 μm around the charcoal. Results: EF5 binding increased with decreasing pO 2 , most substantially at pO 2 below 5 mm Hg. Baseline (ambient air) pO 2 reached 3.2±2.1 mm Hg in NFSA tumors. It increased to 9.8±3.2 mm Hg under 100% O 2 . A statistically significant correlation was observed on an individual tumor basis between the FI in the first 10 μm strip around the charcoal and the pO 2 determined by EPR oximetry (Wilcoxon signed rank test: P 2 in an in vivo environment under biologically-relevant pO 2 values of less than 10 mm Hg

Investigation of the generation of singlet oxygen in ensembles of photoexcited silicon nanocrystals by electron paramagnetic resonance spectroscopy

International Nuclear Information System (INIS)

Konstantinova, E. A.; Demin, V. A.; Timoshenko, V. Yu.

2008-01-01

The generation of singlet oxygen is investigated and its concentration upon photoexcitation of silicon nanocrystals in porous silicon layers is determined using electron paramagnetic resonance spectroscopy. The relaxation times of spin centers, i.e., silicon dangling bonds, in vacuum and in an oxygen atmosphere in the dark and under illumination of the samples are measured for the first time. It is revealed that the spin-lattice relaxation in porous silicon is retarded as compared to that in a single-crystal substrate. From analyzing experimental data, a microscopic model is proposed for interaction of oxygen molecules in the triplet state and spin centers at the surface of silicon nanocrystals. The results obtained have demonstrated that porous silicon holds promise for the use as a photosensitizer of molecular oxygen in biomedical applications

Electron paramagnetic resonance (EPR) of antiferromagnetic nanoparticles of La1-xSrxCrO3 (0.000 ≤ x ≤ 0.020) synthesized by combustion reaction

International Nuclear Information System (INIS)

Franco, Adolfo; Santana, Ricardo C.

2010-01-01

Nanocrystalline particles of La 1-x Sr x CrO 3 (0.000 ≤ x ≤ 0.020) compounds were synthesized in order to investigate the antiferromagnetic (AFM) to paramagnetic (PM) phase transition temperature, g-factor, line width and intensity by electron paramagnetic resonance (EPR). All samples were synthesized by combustion reaction method using strontium nitrate, lanthanum nitrate, chromium nitrate and urea as fuel without subsequent heat treatment. X-ray diffraction patterns of all systems showed broad peaks consistent with orthorhombic structure of LaCrO 3 . The absence of extra reflections in the diffraction patterns of as-prepared materials ensures the phase purity. The average crystallite sizes determined from the prominent (1 1 2) peak of the diffraction using Scherrer's equation was independent of the addition of Sr 2+ ions; being ca. 31-29 nm for x = 0.000 and 0.020, respectively. The EPR line width and intensity were found to be dependent on Sr 2+ addition and temperature. However, the AFM-PM transition temperature was found to be independent of strontium concentration, being ca. 296 K. In the PM phase, g-factor was nearly temperature independent with increasing of x. The EPR results indicated that the addition of Sr 2+ ions may induce creation of Cr 3+ -Cr 4+ clusters.

Parallel image-acquisition in continuous-wave electron paramagnetic resonance imaging with a surface coil array: Proof-of-concept experiments

Science.gov (United States)

Enomoto, Ayano; Hirata, Hiroshi

2014-02-01

This article describes a feasibility study of parallel image-acquisition using a two-channel surface coil array in continuous-wave electron paramagnetic resonance (CW-EPR) imaging. Parallel EPR imaging was performed by multiplexing of EPR detection in the frequency domain. The parallel acquisition system consists of two surface coil resonators and radiofrequency (RF) bridges for EPR detection. To demonstrate the feasibility of this method of parallel image-acquisition with a surface coil array, three-dimensional EPR imaging was carried out using a tube phantom. Technical issues in the multiplexing method of EPR detection were also clarified. We found that degradation in the signal-to-noise ratio due to the interference of RF carriers is a key problem to be solved.

Electron paramagnetic resonance biophysical radiation dosimetry with tooth enamel

International Nuclear Information System (INIS)

Khan, Rao F.H.

2003-01-01

This thesis deals with the advancements made in the field of Electron Paramagnetic Resonance (EPR) for biophysical dosimetry with tooth enamel for accident, emergency, and retrospective radiation dose reconstruction. A methodology has been developed to measure retrospective radiation exposures in human tooth enamel. This entails novel sample preparation procedures with minimum mechanical treatment to reduce the preparation induced uncertainties, establish optimum measurement conditions inside the EPR cavity, post-process the measured spectrum with functional simulation of dosimetric and other interfering signals, and reconstruct dose. By using this technique, retrospective gamma exposures as low as 80±30 mGy have been successfully deciphered. The notion of dose modifier was introduced in EPR biodosimetry for low dose measurements. It has been demonstrated that by using the modified zero added dose (MZAD) technique for low radiation exposures, doses in 100 mGy ranges can be easily reconstructed in teeth that were previously thought useless for EPR dosimetry. Also, the use of a dose modifier makes robust dose reconstruction possible for higher radiation exposures. The EPR dosimetry technique was also developed for tooth samples extracted from rodents, which represent small tooth sizing. EPR doses in the molars, extracted from the mice irradiated with whole body exposures, were reassessed and shown to be correct within the experimental uncertainty. The sensitivity of human tooth enamel for neutron irradiation, obtained from the 3 MV McMaster K.N. Van de Graaff accelerator, was also studied. For the first time this work has shown that the neutron sensitivity of the tooth enamel is approximately 1/10th of the equivalent gamma sensitivity. Parametric studies for neutron dose rate and neutron energy within the available range of the accelerator, showed no impact on the sensitivity of the tooth enamel. Therefore, tooth enamel can be used as a dosimeter for both neutrons

Analysis of Gamma-irradiated Soybean Components by Electron Paramagnetic Resonance

International Nuclear Information System (INIS)

Oliveira, M.R. R. de; Quadrado, M.G.O.; Mastro, N.L. del

2007-01-01

Soybean (Glycine max) seeds contain besides oil and protein, important phytochemicals that have been shown in recent years to offer important health benefits. Soybean contains at least six classes of antioxidant compounds: flavonol, isoflavones, anthocyanins, proanthocyanidins, tocopherols, and poly carboxylic acids. An increasing number of studies have documented the significant value of many classes of these compounds, mainly isoflavones, not only as potent antioxidants, but also as antitumor agents and cardio protective compounds. Food irradiation is gaining increasing attention around the world but it is not a worldwide approved treatment yet. Electron paramagnetic resonance, EPR, is considered the most important technique to detect free-radicals on food. Results from a previous work showed that irradiated soybean could be detected by EPR only when higher doses were employed. This study was undertaken to investigate the radiation response of the diverse parts of the soy seed: hull or seed coat, cotyledons, hilum and hypocotyl axis or germ, from different soybean cultivars. Soybean samples were obtained from the National Soybean Research Center (Embrapa-Soja), Londrina, Brazil, separated in their components and gamma-irradiated in a Gamma cell 220 (AECL) with doses of 0.1 and 2.0 kGy at a dose rate of 2.9 kGy/h. EPR measurements were performed on an X-band spectrometer (ER 041 XG Microwave Bridge, Bruker). Both irradiation and EPR measurements were performed at room temperature (20-25 C). The results showed that the EPR signal intensity correlated with the ionizing radiation dose, although different cultivars presented differences in their radiation response. The main EPR peak corresponding to free radical presented differences in shape and intensity. The hull and the hilum presented signals higher and easier to be analyzed than the whole bean, indicating strong differences in radiation sensitivity of soybean components. (Author)

Oxidation of carbon monoxide cocatalyzed by palladium(0) and the H(5)PV(2)Mo(10)O(40) polyoxometalate probed by electron paramagnetic resonance and aerobic catalysis.

Science.gov (United States)

Goldberg, Hila; Kaminker, Ilia; Goldfarb, Daniella; Neumann, Ronny

2009-08-17

The H(5)PV(2)Mo(10)O(40) polyoxometalate and Pd/Al(2)O(3) were used as co-catalysts under anaerobic conditions for the activation and oxidation of CO to CO(2) by an electron transfer-oxygen transfer mechanism. Upon anaerobic reduction of H(5)PV(2)Mo(10)O(40) with CO in the presence of Pd(0) two paramagnetic species were observed and characterized by continuous wave electron paramagnetic resonance (CW-EPR) and hyperfine sublevel correlation (HYSCORE) spectroscopic measurements. Major species I (65-70%) is assigned to a species resembling a vanadyl cation that is supported on the polyoxometalate and showed a bonding interaction with (13)CO. Minor species II (30-35%) is attributed to a reduced species where the vanadium(IV) atom is incorporated in the polyoxometalate framework but slightly distanced from the phosphate core. Under aerobic conditions, CO/O(2), a nucleophilic oxidant was formed as elucidated by oxidation of thianthrene oxide as a probe substrate. Oxidation reactions performed on terminal alkenes such as 1-octene yielded a complicated mixture of products that was, however, clearly a result of alkene epoxidation followed by subsequent reactions of the intermediate epoxide. The significant competing reaction was a hydrocarbonylation reaction that yielded a approximately 1:1 mixture of linear/branched carboxylic acids.

Interpretation of the Electron Paramagnetic Resonance Spectra of Copper(II)-Tyrosine Complex

Science.gov (United States)

Xu, Xiao-Hui; Kuang, Min-Quan

2017-12-01

The electron paramagnetic resonance (EPR) spectra of [Cu(l-tyrosine)2]n (CuA) were interpreted based on the fourth-order perturbation treatments where the contributions due to the local distortion, ligand orbit and spin-orbit coupling were included. The calculated band transitions d_{x^2} - y^2 to dxy (≈16412 cm-1) and d_{z^2} (≈14845 cm-1) agree well with the band analysis results (d_{x^2} - y^2 \\to d_{xy} ≈16410 and d_{x^2} - y^2 \\to d_{z^2} ≈14850 cm-1). The unresolved separations d_{x^2} - y^2 \\to d_{xz} and d_{x^2} - y^2 \\to d_{yz} in the absorption spectra were evaluated as 26283 and 26262 cm-1, respectively. For CuA, copper chromophores in 1,3-diaminorpropane isophtalate copper(II) complex (CuB) and N-methyl-1,2-diaminoetaane-bis copper(II) polymer (CuC), the transition d_{x^2} - y^2 \\to d_{xy} (=E1≈10Dq) suffered an increase with a decrease in R̅L which was evaluated as the mean value of the copper-ligand bond lengths. The correlations between the tetragonal elongation ratio ρ (=(Rz-R̅L)/R̅L) (or the ratio G=(gz-ge)/((gx+gy)/2-ge)) and the g isotropy gav (=(gx+gy+gz)/3) (or the covalency factor N) for CuA, CuB and CuC were acquired and all the results were discussed.

Electron paramagnetic resonance of V4+ in the lanthanum and cerium orthophosphates

International Nuclear Information System (INIS)

Lima, J.C. de.

1983-11-01

The Electron Paramagnetic Resonance (EPR) spectrum of V 4+ was investigated in polycrystalline samples of lanthanum orthophosphate (LaPO 4 ) and cerium orthophosphate (CePO 4 ) doped with 0.2 wt % vanadium pentoxide (V 2 O 5 ). Measurements were performed at room temperature and 9.5 GHz. In LaPO 4 , two non-equivalent axial sites were inferred from the EPR spectra. The most stable of these two sites is probably substitutional. In CePO 4 , a single axial spectrum was observed. It was attributed to V 4+ in substitutional sites. A central, wide line was also seen; it was attributed to ferromagnetic clusters of vanadium ions. Photoacoustic absorption spectra were also recorded for the two compounds. The EPR and photoacoustic absorption data, when analyzed using the molecular orbital theory, show that for both lanthanum orthophosphate and cerium orthophosphate the ground orbital (d sub(x) 2 sub(-y) 2) of the unpainred electron is purely ionic, while the excited orbitals d sub(xy) and d sub(xz,yz) are partly covalent. The degree of covalency is higher for the d sub(xy) orbital. Finally, it should be pointed out that part of the theory used for the interpretation of the EPR and photoacoustic absorption spectra (study of the ligand field splitting of a d orbital in a site of distorted capped antiprism structure) was developed by the author in the present work and is therefore an original contribution. (Author) [pt

Electronic paramagnetic resonance (EPR) of spices treated by gamma irradiation; Ressonancia paramagnetica eletronica (RPE) aplicada a analise de especiarias irradiadas (com radiacao gama)

Energy Technology Data Exchange (ETDEWEB)

Leal, Alexandre Soares; Rodrigues, Rogerio Rivail, E-mail: asleal@cdtn.b [Centro de Desenvolvimento de Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil). Serv. de Reator e Irradiacoes; Krambrock, Klaus; Guedes, Kassilio [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil)

2004-07-15

The treatment of food by ionizing radiation is a method that has been increased in many countries in substitution for the use of chemical products. The knowledge of safe and reliable techniques of detection of irradiated food is a factor that can contribute to the largest acceptance for the consuming market. This work presents the electron paramagnetic resonance (EPR) as method of detection of the irradiated spices rosemary and cilantro. The obtained results indicate that EPR can be used satisfactorily for that group of victuals in the identification of irradiated species and in the determination of the received dose. (author)

Jahn-Teller glass formation in beta-lithium ammonium sulfate monocrystals studied by means of the electron paramagnetic resonance of Mn sup 2 sup + and Cu sup 2 sup + ions

CERN Document Server

Waplak, S

2002-01-01

The EPR (electron paramagnetic resonance) spectra of non-Jahn-Teller (JT) Mn sup 2 sup + and JT Cu sup 2 sup + ions have been studied for alpha- or beta-LAS structure modification in the temperature range of 4.2-480 K. The experimental evidence for JT glass with frozen-in random strain fields due to the presence of the JT Cu sup 2 sup + ions is presented.

Studied by electron paramagnetic resonance (EPR) of polymethyl methacrylate (PMMA) irradiated with gamma photons from cobalt 60

International Nuclear Information System (INIS)

Jalali, Hajer

2013-01-01

Ionizing radiation is radiation able to deposit enough energy in the material through which they pass to create ionization. These ionizing radiations, when mastered, have many practical uses beneficial (areas of health, industry ...). Gamma rays are emitted by radioactive nuclei. The objective of our work is the study of polymethyl methacrylate (PMMA) irradiated by gamma photons from cobalt-60. To study the technique of radio spectroscopy (9 to 10Hz) electron paramagnetic resonance EPR is used. This technique is specific to characterize transient free radicals involved in chemical reactions such as oxidation, combustion, polymerization reactions ... We analyzed the EPR spectra three batch KS, EB, and JF our dosimeter according to the dose (high and low) and showed that the dosimetric response can be represented in exponential form (high dose) and linear form (low dose). We also studied the kinetics of decay of the EPR signal as a function of time (fading) and showed that the responses relating to stabilize after 20 min of irradiation.

Electron Paramagnetic Resonance pO2 Image Tumor Oxygen-Guided Radiation Therapy Optimization.

Science.gov (United States)

Epel, Boris; Maggio, Matt; Pelizzari, Charles; Halpern, Howard J

2017-01-01

Modern standards for radiation treatment do not take into account tumor oxygenation for radiation treatment planning. Strong correlation between tumor oxygenation and radiation treatment success suggests that oxygen-guided radiation therapy (OGRT) may be a promising enhancement of cancer radiation treatment. We have developed an OGRT protocol for rodents. Electron paramagnetic resonance (EPR) imaging is used for recording oxygen maps with high spatial resolution and excellent accuracy better than 1 torr. Radiation is delivered with an animal intensity modulated radiation therapy (IMRT) XRAD225Cx micro-CT/ therapy system. The radiation plan is delivered in two steps. First, a uniform 15% tumor control dose (TCD 15 ) is delivered to the whole tumor. In the second step, an additional booster dose amounting to the difference between TCD 98 and TCD 15 is delivered to radio-resistant, hypoxic tumor regions. Delivery of the booster dose is performed using a multiport conformal beam protocol. For radiation beam shaping we used individual radiation blocks 3D-printed from tungsten infused ABS polymer. Calculation of beam geometry and the production of blocks is performed next to the EPR imager, immediately after oxygen imaging. Preliminary results demonstrate the sub-millimeter precision of the radiation delivery and high dose accuracy. The efficacy of the radiation treatment is currently being tested on syngeneic FSa fibrosarcoma tumors grown in the legs of C3H mice.

Electron paramagnetic resonance field-modulation eddy-current analysis of silver-plated graphite resonators

Science.gov (United States)

Mett, Richard R.; Anderson, James R.; Sidabras, Jason W.; Hyde, James S.

2005-09-01

Magnetic field modulation is often introduced into a cylindrical TE011 electron paramagnetic resonance (EPR) cavity through silver plating over a nonconductive substrate. The plating thickness must be many times the skin depth of the rf and smaller than the skin depth of the modulation. We derive a parameter that quantifies the modulation field penetration and find that it also depends on resonator dimensions. Design criteria based on this parameter are presented graphically. This parameter is then used to predict the behavior of eddy currents in substrates of moderate conductivity, such as graphite. The conductivity of the graphite permits improved plating uniformity and permits use of electric discharge machining (EDM) techniques to make the resonator. EDM offers precision tolerances of 0.005 mm and is suitable for small, complicated shapes that are difficult to machine by other methods. Analytic predictions of the modulation penetration are compared with the results of finite-element simulations. Simulated magnetic field modulation uniformity and penetration are shown for several elemental coils and structures including the plated graphite TE011 cavity. Fabrication and experimental testing of the structure are discussed. Spatial inhomogeneity of the modulation phase is also investigated by computer simulation. We find that the modulation phase is uniform to within 1% over the TE011 cavity. Structures of lower symmetry have increased phase nonuniformity.

Electron paramagnetic resonance measurements of absorbed dose in teeth from citizens of Ozyorsk

Energy Technology Data Exchange (ETDEWEB)

Wieser, A.; Semiochkina, N. [Helmholtz Zentrum Muenchen - German Research Center for Environmental Health, Institute of Radiation Protection, Neuherberg (Germany); Vasilenko, E.; Aladova, E.; Smetanin, M. [Southern Urals Biophysics Institute, Ozyorsk (Russian Federation); Fattibene, P. [Istituto Superiore di Sanita, Rome (Italy)

2014-05-15

In 1945, within the frame of the Uranium Project for the production of nuclear weapons, the Mayak nuclear facilities were constructed at the Lake Irtyash in the Southern Urals, Russia. The nuclear workers of the Mayak Production Association (MPA), who lived in the city of Ozyorsk, are the focus of epidemiological studies for the assessment of health risks due to protracted exposure to ionising radiation. Electron paramagnetic resonance measurements of absorbed dose in tooth enamel have already been used in the past, in an effort to validate occupational external doses that were evaluated in the Mayak Worker Dosimetry System. In the present study, 229 teeth of Ozyorsk citizens not employed at MPA were investigated for the assessment of external background exposure in Ozyorsk. The annually absorbed dose in tooth enamel from natural background radiation was estimated to be (0.7 ± 0.3) mGy. For citizens living in Ozyorsk during the time of routine noble gas releases of the MPA, which peaked in 1953, the average excess absorbed dose in enamel above natural background was (36 ± 29) mGy, which is consistent with the gamma dose obtained by model calculations. In addition, there were indications of possible accidental gaseous MPA releases that affected the population of Ozyorsk, during the early and late MPA operation periods, before 1951 and after 1960. (orig.)

Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide

International Nuclear Information System (INIS)

Oktaviani, Nur Alia; Risør, Michael W.; Lee, Young-Ho; Megens, Rik P.; Jong, Djurre H. de; Otten, Renee; Scheek, Ruud M.; Enghild, Jan J.; Nielsen, Niels Chr.; Ikegami, Takahisa; Mulder, Frans A. A.

2015-01-01

Co-solute paramagnetic relaxation enhancement (PRE) is an attractive way to speed up data acquisition in NMR spectroscopy by shortening the T 1 relaxation time of the nucleus of interest and thus the necessary recycle delay. Here, we present the rationale to utilize high-spin iron(III) as the optimal transition metal for this purpose and characterize the properties of its neutral chelate form Fe(DO3A) as a suitable PRE agent. Fe(DO3A) effectively reduces the T 1 values across the entire sequence of the intrinsically disordered protein α-synuclein with negligible impact on line width. The agent is better suited than currently used alternatives, shows no specific interaction with the polypeptide chain and, due to its high relaxivity, is effective at low concentrations and in ‘proton-less’ NMR experiments. By using Fe(DO3A) we were able to complete the backbone resonance assignment of a highly fibrillogenic peptide from α 1 -antitrypsin by acquiring the necessary suite of multidimensional NMR datasets in 3 h

Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide

Energy Technology Data Exchange (ETDEWEB)

Oktaviani, Nur Alia [University of Groningen, Groningen Biomolecular Sciences and Biotechnology Institute (Netherlands); Risør, Michael W. [University of Aarhus, Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry (Denmark); Lee, Young-Ho [Osaka University, Institute for Protein Research (Japan); Megens, Rik P. [University of Groningen, Stratingh Institute for Chemistry (Netherlands); Jong, Djurre H. de; Otten, Renee; Scheek, Ruud M. [University of Groningen, Groningen Biomolecular Sciences and Biotechnology Institute (Netherlands); Enghild, Jan J. [University of Aarhus, Interdisciplinary Nanoscience Center (iNANO) and Department of Molecular Biology and Genetics (Denmark); Nielsen, Niels Chr. [University of Aarhus, Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry (Denmark); Ikegami, Takahisa [Yokohama City University, Graduate School of Medical Life Science (Japan); Mulder, Frans A. A., E-mail: fmulder@chem.au.dk [University of Groningen, Groningen Biomolecular Sciences and Biotechnology Institute (Netherlands)

2015-06-15

Co-solute paramagnetic relaxation enhancement (PRE) is an attractive way to speed up data acquisition in NMR spectroscopy by shortening the T{sub 1} relaxation time of the nucleus of interest and thus the necessary recycle delay. Here, we present the rationale to utilize high-spin iron(III) as the optimal transition metal for this purpose and characterize the properties of its neutral chelate form Fe(DO3A) as a suitable PRE agent. Fe(DO3A) effectively reduces the T{sub 1} values across the entire sequence of the intrinsically disordered protein α-synuclein with negligible impact on line width. The agent is better suited than currently used alternatives, shows no specific interaction with the polypeptide chain and, due to its high relaxivity, is effective at low concentrations and in ‘proton-less’ NMR experiments. By using Fe(DO3A) we were able to complete the backbone resonance assignment of a highly fibrillogenic peptide from α{sub 1}-antitrypsin by acquiring the necessary suite of multidimensional NMR datasets in 3 h.

Synthesis, structural and paramagnetic properties of SnO{sub 2} doped NiO nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Islam, I., E-mail: ishtihadahislam@gmail.com; Dwivedi, Sonam; Dar, Hilal A.; Dar, M. A.; Varshney, Dinesh, E-mail: vdinesh33@rediffmail.com [School of Physics, Vigyan Bhawan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India)

2016-05-06

In this work, Sn doped NiO nanoparticles were synthesized by co-precipitation route to explore the impact of doping on lattice structure, dielectric constant and magnetization. X-ray diffraction analysis confirmed cubic (Fd-3m) structure of Sn doped NiO. Average crystallite size decreases from 78.2 nm (Ni{sub 0.95}Sn{sub 0.05}O) to 64.23 nm (Ni{sub 0.8}Sn{sub 0.2}O). Scanning electron microscopy images confirm that nanocrystals have agglomerated spherical morphology. The Raman spectrum exhibits a strong, broad peak at 410 cm{sup -1} and is attributed to the Ni-O stretching mode and doped samples show a blue shift. The dielectric constants at about 1 Hz are measured to be about 1.795, 1.030, 0.442, and 0.302 × 10{sup 3} Ni{sub 1-x}Sn{sub x}O (x = 0.05, 0.1, 0.15, 0.2), respectively. The dielectric constant in nanoparticles of doped Ni{sub 1-x}Sn{sub x}O is three orders of magnitude higher as compared to pure NiO ceramics. The nature of magnetization - applied field (M-H) infers paramagnetic behaviour for Sn doped NiO nanoparticles.

Study of Paramagnetic Species in γ-irradiated Lithium Borate Glasses Doped With Cu2+ Ions

International Nuclear Information System (INIS)

Mansour, A.; Abd-Allah, W.M.; El-Alaily, N.A.; Ezz-Eldin, F.M.

2013-01-01

Mixed alkali borate glasses doped with different concentration of Cu O ranging from (0.1-10) wt% have been prepared by the melt quenching technique. The prepared samples were studied by means of density, molar volume, infrared spectroscopy and electron paramagnetic resonance (EPR) measurements before and after successive gamma irradiation (50-200 kGy). The results showed that the density increase while molar volume decrease with the increase of CuO %. The infrared absorption studies revealed that structure of the glass network consists of BO 3 , BO 4 and B-O-Cu linkages. Gamma irradiation causes minor changes in the IR spectral bands which are related to the bond break of the B-O bond and formation non-bridging oxygen. Gamma irradiation causes irregular change in the intensities of the EPR spectra for samples doped with 0.1, 0.2 and 10 wt % of Cu O, however, no change in the EPR spectra of 2 and 5 wt % of Cu O for all absorbed doses (50-200 kGy). It is expected that the Cu-doped lithium borate glass 2 and 5 wt % of Cu O may be used for radiation shielding.

Disappearance of electron-hole asymmetry in nanoparticles of Nd1−xCaxMnO3(x=0.6,0.4): magnetization and electron paramagnetic resonance evidence

International Nuclear Information System (INIS)

Bhagyashree, K. S.; Bhat, S. V.

2015-01-01

We study and compare magnetic and electron paramagnetic resonance behaviors of bulk and nanoparticles of Nd 1−x Ca x MnO 3 in hole doped (x=0.4;NCMOH) and electron doped (x=0.6;NCMOE) samples. NCMOH in bulk form shows a complex temperature dependence of magnetization M(T), with a charge ordering transition at ∼250 K, an antiferromagnetic (AFM) transition at ∼150 K, and a transition to a canted AFM phase/mixed phase at ∼80 K. Bulk NCMOE behaves quite differently with just a charge ordering transition at ∼280 K, thus providing a striking example of the so called electron-hole asymmetry. While our magnetization data on bulk samples are consistent with the earlier reports, the new results on the nanoparticles bring out drastic effects of size reduction. They show that M(T) behaviors of the two nanosamples are essentially similar in addition to the absence of the charge order in them thus providing strong evidence for vanishing of the electron-hole asymmetry in nanomanganites. This conclusion is further corroborated by electron paramagnetic resonance studies which show that the large difference in the “g” values and their temperature dependences found for the two bulk samples disappears as they approach a common behavior in the corresponding nanosamples

Powderspec, a program for the efficient simulation of spectra of electron paramagnetic resonance of powders with orthorhombic symmetry; Powderspec, un programa para la simulacion eficiente de espectros de resonancia paramagnetica electronica de polvos con simetria ortorrombica

Energy Technology Data Exchange (ETDEWEB)

Gonzalez T, L.; Beltran L, V

1991-09-15

In this report a FORTRAN source program which simulates the second order powder pattern and spectrum of electron paramagnetic resonance (EPR) in crystal fields with orthorhombic symmetry using Gauss-Legendre quadratures is given. Also the commentaries which describe each step in detail are presented. (Author)

Unified explanation for optical and electron paramagnetic resonance spectra of Cr sup 3 sup + ions in LiNbO sub 3 crystals

CERN Document Server

Zhao, M G

1997-01-01

An approximately microscopic model is developed for the Cr sup 3 sup + -6O sup 2 sup - cluster and applied to study the optical data and electron paramagnetic resonance (EPR) g-factors and the zero-field splitting D-value in LiNbO sub 3 :Cr sup 3 sup +. Analysis of the optical and EPR data indicate that Cr sup 3 sup + ions substitute at Nb sites and Nb-vacancy (Li) sites simultaneously. The results are in good agreement with the experimental findings. This means that the optical and EPR data and the substitution site of Cr sup 3 sup + ions in LiNbO sub 3 can be interpreted uniformly. (author)

Site selective substitution Pt for Ti in KTiOPO{sub 4}:Ga crystals revealed by electron paramagnetic resonance

Energy Technology Data Exchange (ETDEWEB)

Grachev, V.; Meyer, M.; Jorgensen, J.; Malovichko, G. [Department of Physics, Montana State University, Bozeman, Montana 59717 (United States); Hunt, A. W. [Idaho Accelerator Center, Idaho State University, Pocatello, Idaho 83209 (United States)

2014-07-28

Electron Paramagnetic Resonance at low temperatures has been used to characterize potassium titanyl phosphate (KTiOPO{sub 4}) single crystals grown by different techniques. Irradiation with 20 MeV electrons performed at room temperature and liquid nitrogen temperature caused an appearance of electrons and holes. Platinum impurities act as electron traps in KTiOPO{sub 4} creating Pt{sup 3+} centers. Two different Pt{sup 3+} centers were observed, Pt(A) and Pt(D). The Pt(A) centers are dominant in undoped samples, whereas Pt(D)—in Ga-doped KTP crystals. Superhyperfine structure registered for Pt(D) centers was attributed to interactions of platinum electrons with {sup 39}K and two {sup 31}P nuclei in their surroundings. In both Pt(A) and Pt(D) centers, Pt{sup 3+} ions substitute for Ti{sup 4+} ions, but with a preference to one of two electrically distinct crystallographic positions. The site selective substitution can be controlled by the Ga-doping.

Phenolic composition and related antioxidant properties in differently colored lettuces: a study by electron paramagnetic resonance (EPR) kinetics.

Science.gov (United States)

Pérez-López, Usue; Pinzino, Calogero; Quartacci, Mike Frank; Ranieri, Annamaria; Sgherri, Cristina

2014-12-10

Differently colored lettuce (Lactuca sativa L.) cultivars (green, green/red, and red) were studied to correlate their phenolic composition with their antioxidant kinetic behavior. Electron paramagnetic resonance (EPR) was employed to monitor decay kinetics of 1,1-diphenyl-2-picrylhydrazyl (DPPH(•)), which allowed the identification of three differently paced antioxidants. The results showed that as long as lettuce had higher red pigmentation, the hydrophilic antioxidant capacity increased together with the contents in free and conjugated phenolic acids, free and conjugated flavonoids, and anthocyanins. EPR allowed the identification of slow-rate antioxidants in green and green/red cultivars, intermediate-rate antioxidants in green, green/red, and red cultivars, and fast-rate antioxidants in green/red and red cultivars. At present, the different kinetic behaviors cannot be attributed to a specific antioxidant, but it is suggested that the flavonoid quercetin accounted for the majority of the intermediate-rate antioxidants, whereas the anthocyanins accounted for the majority of the fast-rate antioxidants.

Investigation of some parameters influencing the sensitivity of human tooth enamel to gamma radiation using electron paramagnetic resonance

International Nuclear Information System (INIS)

El-Faramawy, N.

2008-01-01

Electron paramagnetic resonance (EPR) has been successfully used as a physical technique for gamma radiation dose reconstruction using calcified tissues. To minimize potential discrepancies between EPR readings in future studies, the effects of cavity response factor, tooth position and donor gender on the estimated gamma radiation dose were studied. It was found that the EPR response per sample mass used for assessment of doses in teeth outside of the 70-100 mg range should be corrected by a factor which is a function of the sample mass. In the EPR measurements, the difference in sensitivity of different tooth positions to γ-radiation was taken into consideration. It was determined that among all the premolars and molars tooth positions, the relative standard deviation of sensitivity was 6.5%, with the wisdom teeth and the first molars having the highest and lowest sensitivity to γ-radiation, respectively. The current results reveal no effect of the donor gender on the sensitivity to γ-radiation. (author)

Magnetic resonance tomography for focal lesions in the liver using the para-magnetic contrast medium gadolinium DTPA

International Nuclear Information System (INIS)

Hamm, B.; Roemer, T.; Felix, R.; Wolf, K.J.; Klinikum Charlottenburg, Berlin

1986-01-01

The use of the para-magnetic contrast medium gadolinium DTPA for magnetic resonance tomography of focal lesions in the liver was investigated in 31 patients. Two dosage schedules of the contrast medium (0.1 and 0.2 mmol/kg body weight) were used with field strengths of 0.35 and 0.5 Tesla. Using T 1 sequences, gadolinium DTPA showed increased signal intensity in the liver and in tumours, but this was significantly more marked in the tumour. On T 1 spin-echo sequences, previously iso-intense lesions became visible after administration of contrast. On the other hand, contrast-enhanced lesions were less well seen on inversion recovery sequences because of a reduction in the contrast between tumour and liver tissue. The contrast between tumour and liver tissue was not improved by gadolinium DTPA in comparison with precontrast inversion recovery sequences and T 2 spin-echo sequences. The perfusion of intra-hepatic tumours could be elucidated by magnetic resonance tomography after the administration of gadolinium DTPA. (orig.) [de

Spin dynamics of paramagnetic centers with anisotropic g tensor and spin of 1/2

Science.gov (United States)

Maryasov, Alexander G.; Bowman, Michael K.

2012-08-01

The influence of g tensor anisotropy on spin dynamics of paramagnetic centers having real or effective spin of 1/2 is studied. The g anisotropy affects both the excitation and the detection of EPR signals, producing noticeable differences between conventional continuous-wave (cw) EPR and pulsed EPR spectra. The magnitudes and directions of the spin and magnetic moment vectors are generally not proportional to each other, but are related to each other through the g tensor. The equilibrium magnetic moment direction is generally parallel to neither the magnetic field nor the spin quantization axis due to the g anisotropy. After excitation with short microwave pulses, the spin vector precesses around its quantization axis, in a plane that is generally not perpendicular to the applied magnetic field. Paradoxically, the magnetic moment vector precesses around its equilibrium direction in a plane exactly perpendicular to the external magnetic field. In the general case, the oscillating part of the magnetic moment is elliptically polarized and the direction of precession is determined by the sign of the g tensor determinant (g tensor signature). Conventional pulsed and cw EPR spectrometers do not allow determination of the g tensor signature or the ellipticity of the magnetic moment trajectory. It is generally impossible to set a uniform spin turning angle for simple pulses in an unoriented or 'powder' sample when g tensor anisotropy is significant.

Dosimetric properties of textile fibers: application of electron paramagnetic resonance dosimetry to an accidental gamma irradiation

International Nuclear Information System (INIS)

Kamenopoulou, V.

1988-01-01

The dosimetric properties of some twenty textile fibers have been studied in order to develop a method for determining the dose received in the case of an accidental gamma irradiation. Three textile fibers having properties most closely satisfying our needs were selected for detailed investigations: cotton, polypropylene and quartz. Electron Paramagnetic Resonance (EPR) readout techniques were used. In order to eliminate spectral anisotropy problems due to textile fiber inhomogeneities, a system has been developed to rotate samples in the resonant cavity during measurements. The structure, physical and chemical properties of cotton and polypropylene were investigated. A bibliographic study of the combined effects of light, heat and ionizing radiation on textile fibers was carried out. A linear relation exists between the EPR signal and the gamma ray dose received over a certain dose range. A method has been developed for preparing samples so as to reduce background noise not due to irradiation; in this way the detection threshold is lowered and a greater time stability obtained. Unknown doses corresponding to known spectra are determined by linear interpolation using a series of spectra obtained from the same fabric irradiated with known doses [fr

Photo-induced charge-transfer phase transition of rubidium manganese hexacyanoferrate in ferromagnetic and paramagnetic states

International Nuclear Information System (INIS)

Tokoro, Hiroko; Hashimoto, Kazuhito; Ohkoshi, Shin-ichi

2007-01-01

A charge transfer phase transition with thermal hysteresis loop is observed in a series of rubidium manganese hexacyanoferrates, RbMn[Fe(China) 6 ] (1), Rb 0.88 Mn[Fe(China) 6 ] 0.96 .0.6H 2 O (2), and Rb 0.97 Mn[Fe(China) 6 ] 0.99 .0.2H 2 O (3). This phase transition is accompanied by a structural change from cubic (F4-bar 3m) to tetragonal (I4-bar m2). Its high-temperature (HT) and low-temperature (LT) phases are composed of Mn II (S=2/5)NC-Fe III (S=1/2) and Mn III (S=2)-NC-Fe II (S=0), respectively. The phase transition is caused by a metal-to-metal charge transfer from Mn II to Fe III and a Jahn-Teller distortion of the produced Mn III ion. At the ferromagnetic state in LT phase of 2, the photo-induced phase transition is observed, i.e., magnetization is quenched by the irradiation with only one shot of laser pulse. This phenomenon is caused by a photo-induced phase transition from the LT phase to the HT phase. In 3, optical switching between LT and HT phases at room temperature in paramagnetic region is observed

Electron paramagnetic resonance of Na, [(FeEDTA)2oJ-12H20] crystal electrons

International Nuclear Information System (INIS)

Esquivel, Darci Motta de Souza

1974-01-01

Crystals of Na [(Fe EDTA) 2 o] ·12H 2 0 were investigated by means of electron paramagnetic resonance spectroscopy. The spectra were obtained at various temperatures and crystals orientations. These spectra are very complex with many absorption bands. As the crystal orientation with respect to the magnetic field was changed the variations of the intensity and number of bands were recorded. The antiferromagnetic coupling between the iron atoms in the bridge Fe - 0 - Fe gives rise to states with total spin quantum number S= 0, 1, 2, 3, 4 and 5. Analyses of the EPR spectra as a function of temperature provided a means for the identification of the EPR absorption bands attributed to the states with S = 2. It was also possible to calculate the exchange parameter value J = 300 K. From the study of bands angular dependence in relation to the crystal orientation in the magnetic field it was found that the magnetic crystal axes X, Y, Z and the crystals axes a, b, c are related as (a, b, c) = (Y, Z, X) ! with a precision of 5 deg. Also the crystalline distortion parameters were calculated D = 0.21 ± 0.02 cm 1 ; E = 0.015 ± 0.005 cm 1 . (author)

Microscopic Sources of Paramagnetic Noise on α-Al2O3 Substrates for Superconducting Qubits

Science.gov (United States)

Dubois, Jonathan; Lee, Donghwa; Lordi, Vince

2014-03-01

Superconducting qubits (SQs) represent a promising route to achieving a scalable quantum computer. However, the coupling between electro-dynamic qubits and (as yet largely unidentified) ambient parasitic noise sources has so far limited the functionality of current SQs by limiting coherence times of the quantum states below a practical threshold for measurement and manipulation. Further improvement can be enabled by a detailed understanding of the various noise sources afflicting SQs. In this work, first principles density functional theory (DFT) calculations are employed to identify the microscopic origins of magnetic noise sources in SQs on an α-Al2O3 substrate. The results indicate that it is unlikely that the existence of intrinsic point defects and defect complexes in the substrate are responsible for low frequency noise in these systems. Rather, a comprehensive analysis of extrinsic defects shows that surface aluminum ions interacting with ambient molecules will form a bath of magnetic moments that can couple to the SQ paramagnetically. The microscopic origin of this magnetic noise source is discussed and strategies for ameliorating the effects of these magnetic defects are proposed. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Coiled-coil formation of the membrane-fusion K/E peptides viewed by electron paramagnetic resonance.

Directory of Open Access Journals (Sweden)

Pravin Kumar

Full Text Available The interaction of the complementary K (Ac-(KIAALKE3-GW-NH2 and E (Ac-(EIAALEK3-GY-NH2 peptides, components of the zipper of an artificial membrane fusion system (Robson Marsden H. et al. Angew Chemie Int Ed. 2009 is investigated by electron paramagnetic resonance (EPR. By frozen solution continuous-wave EPR and double electron-electron resonance (DEER, the distance between spin labels attached to the K- and to the E-peptide is measured. Three constructs of spin-labelled K- and E-peptides are used in five combinations for low temperature investigations. The K/E heterodimers are found to be parallel, in agreement with previous studies. Also, K homodimers in parallel orientation were observed, a finding that was not reported before. Comparison to room-temperature, solution EPR shows that the latter method is less specific to detect this peptide-peptide interaction. Combining frozen solution cw-EPR for short distances (1.8 nm to 2.0 nm and DEER for longer distances thus proves versatile to detect the zipper interaction in membrane fusion. As the methodology can be applied to membrane samples, the approach presented suggests itself for in-situ studies of the complete membrane fusion process, opening up new avenues for the study of membrane fusion.

Electron paramagnetic resonance and optical properties of Cr3+ doped YAl3(BO3)4

International Nuclear Information System (INIS)

Wells, Jon-Paul R; Yamaga, Mitsuo; Han, Thomas P J; Honda, Makoto

2003-01-01

We report on the electron paramagnetic resonance (EPR) and optical absorption and fluorescence spectroscopy of YAl 3 (BO 3 ) 4 single crystals doped with 0.2 mol% of trivalent chromium. From EPR we determine that the Cr 3+ ions reside in sites of essentially octahedral symmetry with an orthorhombic distortion. The ground state 4 A 2 splitting is determined to be 2√D 2 + 3E 2 ∼ 1.05 ± 0.04 cm -1 , where D and E are fine-structure parameters, and we can attribute this splitting to the combined effect of a low-symmetry distortion and spin-orbit coupling. The g-values and fine-structure parameters D and E of the ground state 4 A 2 are measured to be g x ∼ g y ∼ g z = 1.978 ± 0.005, vertical bar D vertical bar = 0.52 ± 0.02 cm -1 and vertical bar E vertical bar 0.010 ± 0.005 cm -1 respectively. From 10 K optical absorption we have measured the position and crystal-field splittings of the 2 E, 2 T 1 , 4 T 2 , 2 T 2 and 4 T 1 states with the 4 T 2 and 4 T 1 levels appearing as vibronically broadened bands

Soliton generation via continuous stokes acoustic self-scattering of hypersonic waves in a paramagnetic crystal

International Nuclear Information System (INIS)

Bugay, A. N.; Sazonov, S. V.

2008-01-01

A new mechanism is proposed for continuous frequency down-conversion of acoustic waves propagating in a paramagnetic crystal at a low temperature in an applied magnetic field. A transverse hypersonic pulse generating a carrier-free longitudinal strain pulse via nonlinear effects is scattered by the generated pulse. This leads to a Stokes shift in the transverse hypersonic wave proportional to its intensity, and both pulses continue to propagate in the form of a mode-locked soliton. As the transverse-pulse frequency is Stokes shifted, its spectrum becomes narrower. This process can be effectively implemented only if the linear group velocity of the transverse hypersonic pulse equals the phase velocity of the longitudinal strain wave. These velocities are renormalized by spin-phonon coupling and can be made equal by adjusting the magnitude of the applied magnetic field. The transverse structure of the soliton depends on the sign of the group velocity dispersion of the transverse component. When the dispersion is positive, planar solitons can develop whose transverse component has a topological defect of dark vortex type and longitudinal component has a hole. In the opposite case, the formation of two-component acoustic 'bullets' or vortices localized in all directions is possible

Electron paramagnetic resonance study on n-type electron-irradiated 3C-SiC

Energy Technology Data Exchange (ETDEWEB)

Carlsson, P; Rabia, K; Son, N T; Janzen, E [Department of Physics, Chemistry and Biology, Linkoeping University, SE-581 83 Linkoeping (Sweden); Ohshima, T; Morishita, N; Itoh, H [Japan Atomic Energy Research Institute, Takasaki 370-1292 (Japan); Isoya, J [University of Tsukuba, Tsukuba 305-8550 (Japan)], E-mail: paca@ifm.liu.se

2008-03-15

Electron Paramagnetic Resonance (EPR) was used to study defects in n-type 3C-SiC films irradiated by 3-MeV electrons at room temperature with a dose of 2x10{sup 18} cm{sup -2}. After electron irradiation, two new EPR spectra with an effective spin S = 1, labeled L5 and L6, were observed. The L5 center has C{sub 3v} symmetry with g = 2.004 and a fine-structure parameter D = 436.5x10{sup -4} cm{sup -1}. The L5 spectrum was only detected under light illumination and it could not be detected after annealing at {approx}550{sup 0}C. The principal z-axis of the D tensor is parallel to the <111>-directions, indicating the location of spins along the Si-C bonds. Judging from the symmetry and the fact that the signal was detected under illumination in n-type material, the L5 center may be related to the divacancy in the neutral charge state. The L6 center has a C{sub 2v}-symmetry with an isotropic g-value of g = 2.003 and the fine structure parameters D = 547.7x10{sup -4} cm{sup -1} and E = 56.2x10{sup -4} cm{sup -1}. The L6 center disappeared after annealing at a rather low temperature ({approx}200 deg. C), which is substantially lower than the known annealing temperatures for vacancy-related defects in 3C-SiC. This highly mobile defect may be related to carbon interstitials.

Electron Paramagnetic Resonance Measurements of Reactive Oxygen Species by Cyclic Hydroxylamine Spin Probes.

Science.gov (United States)

Dikalov, Sergey I; Polienko, Yuliya F; Kirilyuk, Igor

2018-05-20

Oxidative stress contributes to numerous pathophysiological conditions such as development of cancer, neurodegenerative, and cardiovascular diseases. A variety of measurements of oxidative stress markers in biological systems have been developed; however, many of these methods are not specific, can produce artifacts, and do not directly detect the free radicals and reactive oxygen species (ROS) that cause oxidative stress. Electron paramagnetic resonance (EPR) is a unique tool that allows direct measurements of free radical species. Cyclic hydroxylamines are useful and convenient molecular probes that readily react with ROS to produce stable nitroxide radicals, which can be quantitatively measured by EPR. In this work, we critically review recent applications of various cyclic hydroxylamine spin probes in biology to study oxidative stress, their advantages, and the shortcomings. Recent Advances: In the past decade, a number of new cyclic hydroxylamine spin probes have been developed and their successful application for ROS measurement using EPR has been published. These new state-of-the-art methods provide improved selectivity and sensitivity for in vitro and in vivo studies. Although cyclic hydroxylamine spin probes EPR application has been previously described, there has been lack of translation of these new methods into biomedical research, limiting their widespread use. This work summarizes "best practice" in applications of cyclic hydroxylamine spin probes to assist with EPR studies of oxidative stress. Additional studies to advance hydroxylamine spin probes from the "basic science" to biomedical applications are needed and could lead to better understanding of pathological conditions associated with oxidative stress. Antioxid. Redox Signal. 28, 1433-1443.

Fermi surface properties of paramagnetic NpCd11 with a large unit cell

Science.gov (United States)

Homma, Yoshiya; Aoki, Dai; Haga, Yoshinori; Settai, Rikio; Sakai, Hironori; Ikeda, Shugo; Yamamoto, Etsuji; Nakamura, Akio; Shiokawa, Yoshinobu; Takeuchi, Tetsuya; Yamagami, Hiroshi; Ōnuki, Yoshichika

2010-03-01

We succeeded in growing a high-quality single crystal of NpCd11 with the cubic BaHg11-type structure by the Cd-self flux method. The lattice parameter of a = 9.2968(2) Å and crystallographic positions of the atoms were determined by x-ray single-crystal structure analysis. From the results of the magnetic susceptibility and specific heat experiments, this compound is found to be a 5f-localized paramagnet with the singlet ground state in the crystalline electric field (CEF) scheme. Fermi surface properties were measured using the de Haas-van Alphen (dHvA) technique. Long-period oscillations were observed in the dHvA frequency range of 9.1 x 105 to 1.9 x 107 Oe, indicating small cross-sectional areas of Fermi surfaces, which is consistent with a small Brillouin zone based on a large unit cell. From the results of dHvA and magnetoresistance experiments, the Fermi surface of NpCd11 is found to consist of many kinds of closed Fermi surfaces and a multiply-connected-like Fermi surface, although the result of energy band calculations based on the 5f-localized Np3+(5f4) configuration reveals the existence of only closed Fermi surfaces. The corresponding cyclotron effective mass is small, ranging from 0.1 to 0.7 m0, which is consistent with a small electronic specific heat coefficient γ ≅ 10mJ/K2·mol, revealing no hybridization between the 5f electrons and conduction electrons.

Protein structural studies by paramagnetic solid-state NMR spectroscopy aided by a compact cyclen-type Cu(II) binding tag

Energy Technology Data Exchange (ETDEWEB)

Sengupta, Ishita; Gao, Min; Arachchige, Rajith J.; Nadaud, Philippe S. [The Ohio State University, Department of Chemistry and Biochemistry (United States); Cunningham, Timothy F.; Saxena, Sunil [University of Pittsburgh, Department of Chemistry (United States); Schwieters, Charles D. [National Institutes of Health, Center for Information Technology (United States); Jaroniec, Christopher P., E-mail: jaroniec@chemistry.ohio-state.edu [The Ohio State University, Department of Chemistry and Biochemistry (United States)

2015-01-15

Paramagnetic relaxation enhancements (PREs) are a rich source of structural information in protein solid-state NMR spectroscopy. Here we demonstrate that PRE measurements in natively diamagnetic proteins are facilitated by a thiol-reactive compact, cyclen-based, high-affinity Cu{sup 2+} binding tag, 1-[2-(pyridin-2-yldisulfanyl)ethyl]-1,4,7,10-tetraazacyclododecane (TETAC), that overcomes the key shortcomings associated with the use of larger, more flexible metal-binding tags. Using the TETAC–Cu{sup 2+} K28C mutant of B1 immunoglobulin-binding domain of protein G as a model, we find that amino acid residues located within ∼10 Å of the Cu{sup 2+} center experience considerable transverse PREs leading to severely attenuated resonances in 2D {sup 15}N–{sup 13}C correlation spectra. For more distant residues, electron–nucleus distances are accessible via quantitative measurements of longitudinal PREs, and we demonstrate such measurements for {sup 15}N–Cu{sup 2+} distances up to ∼20 Å.

Thermometric nanosize NMR-sensors for temperature determination in weakly polar non-aqueous media on the base of ion pairs of paramagnetic complexes of lanthanides(III)

International Nuclear Information System (INIS)

Babajlov, S.P.

2008-01-01

For temperature determination in solutions it is suggested that the temperature dependence of the paramagnetic lanthanide-induced shifts (LIS) in the NMR spectra on the ligand nuclei be used for [Ln(PTA) 2 (18-crown-6)] + [Ln(PTA) 4 ] - complex ion pairs formed in CCl 4 , CDCl 3 , CD 2 Cl 2 , CD 3 C 6 D 5 , and C 2 D 3 N type low-polar solvents (Ln = La, Ce, Pr, Nd, Eu; PTA is the pivalyltrifluoroacetonate anion). It was found experimentally that the [Ln(PTA) 2 (18-crown-6)] + complex cation molecules (Ln = Ce and Pr) proved most suitable for use as nanosized (∼1.1 nm) probes for temperature determinations in nonaqueous solutions. A linear dependence of the LIS on the 1 H nuclei of different groups and the difference between the LIS corresponding to the CH 2 groups of the 18-crown-6 molecules and the CH groups of the PTA anions on the reciprocal temperature (1/T) was found. The LIS of the individual signals of different groups in Ln paramagnetic complexes (relative to the signals of the diamagnetic analogs, e.g., La or Lu) may be used for temperature control in the sample, although the temperature measurement error is smaller (≤0.04 K) when the difference between the LIS of the CH 2 and CH groups is used. Due to the high thermodynamic and kinetic stability combined with small sizes of [Ln(PTA) 2 (18-crown-6)] + [Ln(PTA) 4 ] - molecules in nonaqueous solutions, these compounds may be used as thermometric NMR sensors directly in reaction media for in situ control over temperature [ru

Excitations in the quantum paramagnetic phase of the quasi-one-dimensional Ising magnet CoNb2O6 in a transverse field: Geometric frustration and quantum renormalization effects

Science.gov (United States)

Cabrera, I.; Thompson, J. D.; Coldea, R.; Prabhakaran, D.; Bewley, R. I.; Guidi, T.; Rodriguez-Rivera, J. A.; Stock, C.

2014-07-01

The quasi-one-dimensional (1D) Ising ferromagnet CoNb2O6 has recently been driven via applied transverse magnetic fields through a continuous quantum phase transition from spontaneous magnetic order to a quantum paramagnet, and dramatic changes were observed in the spin dynamics, characteristic of weakly perturbed 1D Ising quantum criticality. We report here extensive single-crystal inelastic neutron scattering measurements of the magnetic excitations throughout the three-dimensional (3D) Brillouin zone in the quantum paramagnetic phase just above the critical field to characterize the effects of the finite interchain couplings. In this phase, we observe that excitations have a sharp, resolution-limited line shape at low energies and over most of the dispersion bandwidth, as expected for spin-flip quasiparticles. We map the full bandwidth along the strongly dispersive chain direction and resolve clear modulations of the dispersions in the plane normal to the chains, characteristic of frustrated interchain couplings in an antiferromagnetic isosceles triangular lattice. The dispersions can be well parametrized using a linear spin-wave model that includes interchain couplings and further neighbor exchanges. The observed dispersion bandwidth along the chain direction is smaller than that predicted by a linear spin-wave model using exchange values determined at zero field, and this effect is attributed to quantum renormalization of the dispersion beyond the spin-wave approximation in fields slightly above the critical field, where quantum fluctuations are still significant.

Use of electron paramagnetic resonance dosimetry with tooth enamel for retrospective dose assessment. Report of a co-ordinated research project

CERN Document Server

2002-01-01

Electron paramagnetic resonance (EPR) dosimetry is a physical method for the assessment of absorbed dose from ionising radiation. It is based on the measurement of stable radiation induced radicals in human calcified tissues (primarily in tooth enamel). EPR dosimetry with teeth is now firmly established in retrospective dosimetry. It is a powerful method for providing information on exposure to ionising radiation many years after the event, since the 'signal' is 'stored' in the tooth or the bone. This technique is of particular relevance to relatively low dose exposures or when the results of conventional dosimetry are not available (e.g. in accidental circumstances). The use of EPR dosimetry, as an essential tool for retrospective assessment of radiation exposure is an important part of radioepidemiological studies and also provides data to select appropriate countermeasures based on retrospective evaluation of individual doses. Despite well established regulations and protocols for maintaining radiation pro...

NMR study of the paramagnetic state of low-dimensional magnets LiCu{sub 2}O{sub 2} and NaCu{sub 2}O{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Sadykov, A. F., E-mail: sadykov@imp.uran.ru; Piskunov, Yu. V.; Gerashchenko, A. P.; Ogloblichev, V. V.; Smol’nikov, A. G.; Verkhovskii, S. V.; Arapova, I. Yu.; Volkova, Z. N.; Mikhalev, K. N. [Russian Academy of Sciences, Mikheev Institute of Metal Physics, Ural Branch (Russian Federation); Bush, A. A. [Moscow State Technical University of Radio Engineering, Electronics, and Automation (Russian Federation)

2017-02-15

A comprehensive NMR study of the magnetic properties of single crystal LiCu{sub 2}O{sub 2} (LCO) and NaCu{sub 2}O{sub 2} (NCO) is carried out in the paramagnetic region of the compounds for various orientations of single crystals in an external magnetic field. The values of the electric-field gradient (EFG) tensor, as well as the dipole and transferred hyperfine magnetic fields for {sup 63,65}Cu, {sup 7}Li, and {sup 23}Na nuclei are determined. The results are compared with the data obtained in previous NMR studies of the magnetically ordered state of LCO/NCO cuprates.

Free radicals produced by the oxidation of gallic acid: An electron paramagnetic resonance study

Directory of Open Access Journals (Sweden)

Wagner Brett A

2010-08-01

Full Text Available Abstract Background Gallic acid (3,4,5-trihydroxybenzoic acid is found in a wide variety of plants; it is extensively used in tanning, ink dyes, as well as in the manufacturing of paper. The gallate moiety is a key component of many functional phytochemicals. In this work electron paramagnetic spectroscopy (EPR was used to detect the free radicals generated by the air-oxidation of gallic acid. Results We found that gallic acid produces two different radicals as a function of pH. In the pH range between 7-10, the spectrum of the gallate free radical is a doublet of triplets (aH = 1.00 G, aH = 0.23 G, aH = 0.28 G. This is consistent with three hydrogens providing hyperfine splitting. However, in a more alkaline environment, pH >10, the hyperfine splitting pattern transforms into a 1:2:1 pattern (aH (2 = 1.07 G. Using D2O as a solvent, we demonstrate that the third hydrogen (i.e. aH = 0.28 G at lower pH is a slowly exchanging hydron, participating in hydrogen bonding with two oxygens in ortho position on the gallate ring. The pKa of this proton has been determined to be 10. Conclusions This simple and novel approach permitted the understanding of the prototropic equilibrium of the semiquinone radicals generated by gallic acid, a ubiquitous compound, allowing new insights into its oxidation and subsequent reactions.

Role of N defects in paramagnetic CrN at finite temperatures from first principles

Science.gov (United States)

Mozafari, E.; Alling, B.; Steneteg, P.; Abrikosov, Igor A.

2015-03-01

Simulations of defects in paramagnetic materials at high temperature constitute a formidable challenge to solid-state theory due to the interaction of magnetic disorder, vibrations, and structural relaxations. CrN is a material where these effects are particularly large due to a strong magnetolattice coupling and a tendency for deviations from the nominal 1:1 stoichiometry. In this work, we present a first-principles study of nitrogen vacancies and nitrogen interstitials in CrN at elevated temperature. We report on formation energetics, the geometry of interstitial nitrogen dimers, and the impact on the electronic structure caused by the defects. We find a vacancy formation energy of 2.28 eV with a small effect of temperature, i.e., a formation energy for N interstitial in the form of a -oriented split bond of 3.77 eV with an increase to 3.97 at 1000 K. Vacancies are found to add three electrons, while split-bond interstitial adds one electron to the conduction band. The band gap of defect-free CrN is smeared out due to vibrations, although it is difficult to draw a conclusion about the exact temperature at which the band gap closes from our calculations. However, it is clear that at 900 K there is a nonzero density of electronic states at the Fermi level. At 300 K, our results indicate a border case where the band gap is about to close.

Progressive and resonant wave helices application to electron paramagnetic resonance; Helices a ondes progressives et resonnantes application a la resonance paramagnetique electronique

Energy Technology Data Exchange (ETDEWEB)

Volino, F [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1969-07-01

We show that helices can be used as resonant systems. Their properties are theoretically and experimentally studied. We describe resonant helices for electron paramagnetic resonance in X-band and develop a comparison between their sensitivity and the sensitivity of a normal resonant cavity. For cylindrical samples less than 3 mm diameter, the helix is more sensitive and can produce more intense microwave magnetic fields. (author) [French] Il est montre que les helices peuvent etre utilisees comme systeme resonnant. Leurs proprietes sont discutees theoriquement et experimentalement. Des helices resonnantes en bande X pour la resonance paramagnetique electronique sont decrites et leur sensibilite est comparee a celle des cavites resonnantes. Pour des echantillons cylindriques de moins de 3 mm de diametre, l'helice est plus sensible et peut produire des champs magnetiques hyper fins plus intenses. (auteur)

Electron paramagnetic resonance spectral study of [Mn(acs){sub 2}(2–pic){sub 2}(H{sub 2}O){sub 2}] single crystals

Energy Technology Data Exchange (ETDEWEB)

Kocakoç, Mehpeyker, E-mail: mkocakoc@cu.edu.tr [Çukurova University (Turkey); Tapramaz, Recep, E-mail: recept@omu.edu.tr [Ondokuz Mayıs University (Turkey)

2016-03-25

Acesulfame potassium salt is a synthetic and non-caloric sweetener. It is also important chemically for its capability of being ligand in coordination compounds, because it can bind over Nitrogen and Oxygen atoms of carbonyl and sulfonyl groups and ring oxygen. Some acesulfame containing transition metal ion complexes with mixed ligands exhibit solvato and thermo chromic properties and these properties make them physically important. In this work single crystals of Mn{sup +2} ion complex with mixed ligand, [Mn(acs){sub 2}(2-pic){sub 2}(H{sub 2}O){sub 2}], was studied with electron paramagnetic resonance (EPR) spectroscopy. EPR parameters were determined. Zero field splitting parameters indicated that the complex was highly symmetric. Variable temperature studies showed no detectable chance in spectra.

Electron paramagnetic resonance study of neutral Mg acceptors in β-Ga2O3 crystals

Science.gov (United States)

Kananen, B. E.; Halliburton, L. E.; Scherrer, E. M.; Stevens, K. T.; Foundos, G. K.; Chang, K. B.; Giles, N. C.

2017-08-01

Electron paramagnetic resonance (EPR) is used to directly observe and characterize neutral Mg acceptors ( M gGa0 ) in a β-Ga2O3 crystal. These acceptors, best considered as small polarons, are produced when the Mg-doped crystal is irradiated at or near 77 K with x rays. During the irradiation, neutral acceptors are formed when holes are trapped at singly ionized Mg acceptors ( M gGa- ). Unintentionally present Fe3+ (3d5) and Cr3+ (3d3) transition-metal ions serve as the corresponding electron traps. The hole is localized in a nonbonding p orbital on a threefold-coordinated oxygen ion adjacent to an Mg ion at a sixfold-coordinated Ga site. These M gGa0 acceptors (S = 1/2) have a slightly anisotropic g matrix (principal values are 2.0038, 2.0153, and 2.0371). There is also partially resolved 69Ga and 71Ga hyperfine structure resulting from unequal interactions with the two Ga ions adjacent to the hole. With the magnetic field along the a direction, hyperfine parameters are 2.61 and 1.18 mT for the 69Ga nuclei at the two inequivalent neighboring Ga sites. The M gGa0 acceptors thermally convert back to their nonparamagnetic M gGa- charge state when the temperature of the crystal is raised above approximately 250 K.

Exchange coupled pairs of dangling bond spins as a new type of paramagnetic defects in nanodiamonds

Energy Technology Data Exchange (ETDEWEB)

Osipov, V. Yu., E-mail: osipov@mail.ioffe.r [Ioffe Physico-Technical Institute, Polytechnicheskaya 26, 194021 St. Petersburg (Russian Federation); Faculty of Electronics, St. Petersburg State Electrotechnical University (LETI), 197376 (Russian Federation); Shames, A.I. [Department of Physics, Ben-Gurion University of the Negev, 84105 Be' er-Sheva (Israel); Vul' , A. Ya. [Ioffe Physico-Technical Institute, Polytechnicheskaya 26, 194021 St. Petersburg (Russian Federation)

2009-12-15

EPR in detonation nanodiamonds (DND) reveals two different signals associated with intrinsic carbon inherited paramagnetic defects. Main carbon inherited EPR signal is narrow intensive Lorentzian-like singlet with g=2.0028 and spin concentration N{sub s}=(6-7)x10{sup 19} spin/g that yields on average 13-15 spins per each DND particle. Additional chemical treatment of DND powder allows practically complete removal of trace amounts of transition metal impurities that reveals a new doublet EPR signal consisting of two relatively narrow lines within the half-field region (gapprox4) separated by a distance of 10.4 mT. The intensity of the doublet signal is five orders of magnitude lower than that of the main singlet signal. The former signal has been observed in a wide variety of DND samples disregarding of the impurity level reached and thus may be attributed to some intrinsic defects in DND particles. Such half-field EPR signals correspond to 'forbidden' DELTAM{sub s}=2 transitions within thermally populated triplet (S=1) levels observed in polycrystalline samples containing exchange dimers-antiferromagnetically coupled spin pairs. Estimates suggest that the concentration of such defects is about one dimer per hundreds DND particles.

Primary Study about Intensity Signal of Electron Paramagnetic Resonance in vivo Tooth Dosimetry

Energy Technology Data Exchange (ETDEWEB)

Choi, Hoon; Gang, Seo Gon; Kim, Jeong In; Lee, Byung Il [KHNP Radiation Health Institute, Gyeongju (Korea, Republic of)

2017-04-15

The signal of Electron Paramagnetic Resonance(EPR) dosimetry system using human tooth has been well introduced as one of the efficient tool to evaluate radiation exposure. But, EPR dosimetry, even in the case of classical in vitro EPR system using tooth sample(measured molars), was regarded as having big signal fluctuation. One of reason for such difficulty in getting accurate intensity was the big effect of organic materials mixed in enamel part of teeth samples. They are mainly caused by the adaptation process of system itself to the movement of measured human subject. Generally, when we measured human teeth in vivo, five of six teeth spectrum were gathered and averaged for real evaluation. The these spectrum are measured under very different environment like angle of external magnet making magnetic filed with teeth(incisor). Random movement of these signals should be considered in different view point to understand and compare each EPR in vivo EPR spectrum. The peak to peak value of obtained five or six in vivo EPR system to get averaged value for final quantity of free radicals in hydroxy apatite crystal construction in enamel part of human teeth looks so randomly changed without regulation. But, in overall view, the EPR signal, especially at no irradiation level, is almost same for every measurement trial which is mainly composed of big noise and very small signal from real free radicals. The peak to peak value of obtained five or six in vivo EPR system to get averaged value for final quantity of free radicals in hydroxy apatite crystal construction in enamel part of human teeth looks so randomly changed without regulation.

Primary Study about Intensity Signal of Electron Paramagnetic Resonance in vivo Tooth Dosimetry

International Nuclear Information System (INIS)

Choi, Hoon; Gang, Seo Gon; Kim, Jeong In; Lee, Byung Il

2017-01-01

The signal of Electron Paramagnetic Resonance(EPR) dosimetry system using human tooth has been well introduced as one of the efficient tool to evaluate radiation exposure. But, EPR dosimetry, even in the case of classical in vitro EPR system using tooth sample(measured molars), was regarded as having big signal fluctuation. One of reason for such difficulty in getting accurate intensity was the big effect of organic materials mixed in enamel part of teeth samples. They are mainly caused by the adaptation process of system itself to the movement of measured human subject. Generally, when we measured human teeth in vivo, five of six teeth spectrum were gathered and averaged for real evaluation. The these spectrum are measured under very different environment like angle of external magnet making magnetic filed with teeth(incisor). Random movement of these signals should be considered in different view point to understand and compare each EPR in vivo EPR spectrum. The peak to peak value of obtained five or six in vivo EPR system to get averaged value for final quantity of free radicals in hydroxy apatite crystal construction in enamel part of human teeth looks so randomly changed without regulation. But, in overall view, the EPR signal, especially at no irradiation level, is almost same for every measurement trial which is mainly composed of big noise and very small signal from real free radicals. The peak to peak value of obtained five or six in vivo EPR system to get averaged value for final quantity of free radicals in hydroxy apatite crystal construction in enamel part of human teeth looks so randomly changed without regulation.

Electron paramagnetic resonance and optical spectroscopy of Yb sup 3 sup + ions in SrF sub 2 and BaF sub 2; an analysis of distortions of the crystal lattice near Yb sup 3 sup +

CERN Document Server

Falin, M L; Latypov, V A; Leushin, A M

2003-01-01

SrF sub 2 and BaF sub 2 crystals, doped with the Yb sup 3 sup + ions, have been investigated by electron paramagnetic resonance and optical spectroscopy. As-grown crystals of SrF sub 2 and BaF sub 2 show the two paramagnetic centres for the cubic (T sub c) and trigonal (T sub 4) symmetries of the Yb sup 3 sup + ions. Empirical diagrams of the energy levels were established and the potentials of the crystal field were determined. Information was obtained on the SrF sub 2 and BaF sub 2 phonon spectra from the electron-vibrational structure of the optical spectra. The crystal field parameters were used to analyse the crystal lattice distortions in the vicinity of the impurity ion and the F sup - ion compensating for the excess positive charge in T sub 4. Within the frames of a superposition model, it is shown that three F sup - ions from the nearest surrounding cube, located symmetrically with respect to the C sub 3 axis from the side of the ion-compensator, approach the impurity ion and cling to the axis of the...

Automated sequence- and stereo-specific assignment of methyl-labeled proteins by paramagnetic relaxation and methyl–methyl nuclear overhauser enhancement spectroscopy

International Nuclear Information System (INIS)

Venditti, Vincenzo; Fawzi, Nicolas L.; Clore, G. Marius

2011-01-01

Methyl-transverse relaxation optimized spectroscopy is rapidly becoming the preferred NMR technique for probing structure and dynamics of very large proteins up to ∼1 MDa in molecular size. Data interpretation, however, necessitates assignment of methyl groups which still presents a very challenging and time-consuming process. Here we demonstrate that, in combination with a known 3D structure, paramagnetic relaxation enhancement (PRE), induced by nitroxide spin-labels incorporated at only a few surface-exposed engineered cysteines, provides fast, straightforward and robust access to methyl group resonance assignments, including stereoassignments for the methyl groups of leucine and valine. Neither prior assignments, including backbone assignments, for the protein, nor experiments that transfer magnetization between methyl groups and the protein backbone, are required. PRE-derived assignments are refined by 4D methyl–methyl nuclear Overhauser enhancement data, eliminating ambiguities and errors that may arise due to the high sensitivity of PREs to the potential presence of sparsely-populated transient states.

Automated sequence- and stereo-specific assignment of methyl-labeled proteins by paramagnetic relaxation and methyl-methyl nuclear overhauser enhancement spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Venditti, Vincenzo; Fawzi, Nicolas L.; Clore, G. Marius, E-mail: mariusc@mail.nih.gov [National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Laboratory of Chemical Physics (United States)

2011-11-15

Methyl-transverse relaxation optimized spectroscopy is rapidly becoming the preferred NMR technique for probing structure and dynamics of very large proteins up to {approx}1 MDa in molecular size. Data interpretation, however, necessitates assignment of methyl groups which still presents a very challenging and time-consuming process. Here we demonstrate that, in combination with a known 3D structure, paramagnetic relaxation enhancement (PRE), induced by nitroxide spin-labels incorporated at only a few surface-exposed engineered cysteines, provides fast, straightforward and robust access to methyl group resonance assignments, including stereoassignments for the methyl groups of leucine and valine. Neither prior assignments, including backbone assignments, for the protein, nor experiments that transfer magnetization between methyl groups and the protein backbone, are required. PRE-derived assignments are refined by 4D methyl-methyl nuclear Overhauser enhancement data, eliminating ambiguities and errors that may arise due to the high sensitivity of PREs to the potential presence of sparsely-populated transient states.

The influence of microscopic disorder on electron paramagnetic resonance spectra of Eu2+ ions in Pb1-xGexTe

International Nuclear Information System (INIS)

Radzynski, T; Lusakowski, A; Swiatek, K; Story, T

2009-01-01

In mixed crystals, because of the different ionic radii of cations or anions and the randomness in the placement of ions of different kinds, the crystal lattice is locally deformed. Such local deformations have significant influence on the ground state splitting of magnetic ions. Because this ground state splitting is responsible for the position of the electron paramagnetic resonance (EPR) lines, microscopic disorder is one of the factors which lead to the broadening of the lines, and eventually to their disappearance. This paper is devoted to semi-quantitative analysis of the influence of microscopic disorder on EPR spectra. The theory is compared against measurements performed on mono-crystalline Pb 1-x Ge x Te epitaxial layers containing Eu 2+ ions for different germanium and europium contents. With increasing germanium content we observe gradual disappearance of the EPR lines, although macroscopically, on the basis of x-ray diffraction analysis, each layer might have been considered as a perfect crystal.

Critical parameters near the ferromagnetic-paramagnetic phase transition in La0.7A0.3(Mn1-xbx)O3 (A=Sr; B=Ti and Al; x=0.0 and 0.05) compounds

International Nuclear Information System (INIS)

Khiem, N.V.; Phong, P.T.; Bau, L.V.; Nam, D.N.H.; Hong, L.V.; Phuc, N.X.

2009-01-01

The critical parameters provide important information concerning the interaction mechanisms near the paramagnetic-to-ferromagnetic transition. In this paper, we present a thorough study for the critical behavior of La 0.7 A 0.3 (Mn 1-x B x )O 3 (A=Sr; B=Ti and Al; x=0.0 and 0.05) polycrystalline samples near ferromagnetic-paramagnetic phase transition temperature by analyzing isothermal magnetization data. We have analyzed our dc-magnetization data near the transition temperature with the help of the modified Arrot plot, Kouvel-Fisher method. We have determined the critical temperature T C and the critical parameters β, γ and δ. With the values of T C , β and γ, we plot Mx(1-T/T C ) -β vs. Hx(1-T/T C ) -γ . All the data collapse on one of the two curves. This suggests that the data below and above T C obey scaling, following a single equation of state. Critical parameters for x=0 and x Ti =0.05 samples are between those predicted for a 3D-Heisenberg model and mean-field theory and for x Al =0.05 samples the values obtained for the critical parameters are close to those predicted by the mean-field theory.

Utilization of paramagnetic relaxation enhancements for high-resolution NMR structure determination of a soluble loop-rich protein with sparse NOE distance restraints

International Nuclear Information System (INIS)

Furuita, Kyoko; Kataoka, Saori; Sugiki, Toshihiko; Hattori, Yoshikazu; Kobayashi, Naohiro; Ikegami, Takahisa; Shiozaki, Kazuhiro; Fujiwara, Toshimichi; Kojima, Chojiro

2015-01-01

NMR structure determination of soluble proteins depends in large part on distance restraints derived from NOE. In this study, we examined the impact of paramagnetic relaxation enhancement (PRE)-derived distance restraints on protein structure determination. A high-resolution structure of the loop-rich soluble protein Sin1 could not be determined by conventional NOE-based procedures due to an insufficient number of NOE restraints. By using the 867 PRE-derived distance restraints obtained from the NOE-based structure determination procedure, a high-resolution structure of Sin1 could be successfully determined. The convergence and accuracy of the determined structure were improved by increasing the number of PRE-derived distance restraints. This study demonstrates that PRE-derived distance restraints are useful in the determination of a high-resolution structure of a soluble protein when the number of NOE constraints is insufficient

Progressive and resonant wave helices application to electron paramagnetic resonance; Helices a ondes progressives et resonnantes application a la resonance paramagnetique electronique

Energy Technology Data Exchange (ETDEWEB)

Volino, F. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1969-07-01

We show that helices can be used as resonant systems. Their properties are theoretically and experimentally studied. We describe resonant helices for electron paramagnetic resonance in X-band and develop a comparison between their sensitivity and the sensitivity of a normal resonant cavity. For cylindrical samples less than 3 mm diameter, the helix is more sensitive and can produce more intense microwave magnetic fields. (author) [French] Il est montre que les helices peuvent etre utilisees comme systeme resonnant. Leurs proprietes sont discutees theoriquement et experimentalement. Des helices resonnantes en bande X pour la resonance paramagnetique electronique sont decrites et leur sensibilite est comparee a celle des cavites resonnantes. Pour des echantillons cylindriques de moins de 3 mm de diametre, l'helice est plus sensible et peut produire des champs magnetiques hyper fins plus intenses. (auteur)

Effect of ultraviolet irradiation on free radical scavenging activity of immunosuppressants used in lung transplantation and comparative electron paramagnetic resonance study of kinetics of their interactions with model free radicals.

Science.gov (United States)

Stanjek-Cichoracka, A; Żegleń, S; Ramos, P; Pilawa, B; Wojarski, J

2018-06-01

The immunosuppressive drugs used in solid organ transplantation or autoimmunological processes were studied by electron paramagnetic resonance (EPR) spectroscopy to estimate their free radical scavenging activity. The interactions of immunosuppressants with free radicals were examined by an X-band (9.3 GHz) EPR spectroscopy and a model of DPPH free radicals. The EPR spectra of DPPH and DPPH interacting with individual drugs were compared. Kinetic studies were performed, and the effect of ultraviolet (UV) irradiation on the free radical scavenging activity of the tested drugs was determined. The free radical scavenging activity of non-irradiated drugs decreased in the order: rapamycin > mycophenolate mofetil > ciclosporin > tacrolimus. UV irradiation increased the free radical scavenging activity of all the tested immunosuppressive drugs, and the effect was highest for tacrolimus. For the non-irradiated samples, the speed of free radical interactions decreased in the order: ciclosporin > tacrolimus > mycophenolate mofetil > rapamycin. UV irradiation only slightly affected the speed of interactions of the immunosuppressive drugs with the model DPPH free radicals. Electron paramagnetic resonance spectroscopy is useful for obtaining information on interactions of immunosuppressive drugs with free radicals. We hypothesized that the long-term immunosuppressive effects of these drugs after transplantation or during autoimmune disorders may be mediated by anti-inflammatory action in addition to the known receptor/cell cycle inhibition. © 2018 John Wiley & Sons Ltd.

Detection of Bacillus anthracis spores by super-paramagnetic lateral-flow immunoassays based on "Road Closure".

Science.gov (United States)

Wang, Dian-Bing; Tian, Bo; Zhang, Zhi-Ping; Wang, Xu-Ying; Fleming, Joy; Bi, Li-Jun; Yang, Rui-Fu; Zhang, Xian-En

2015-05-15

Detection of Bacillus anthracis in the field, whether as a natural infection or as a biothreat remains challenging. Here we have developed a new lateral-flow immunochromatographic assay (LFIA) for B. anthracis spore detection based on the fact that conjugates of B. anthracis spores and super-paramagnetic particles labeled with antibodies will block the pores of chromatographic strips and form retention lines on the strips, instead of the conventionally reported test lines and control lines in classic LFIA. As a result, this new LFIA can simultaneously realize optical, magnetic and naked-eye detection by analyzing signals from the retention lines. As few as 500-700 pure B. anthracis spores can be recognized with CV values less than 8.31% within 5 min of chromatography and a total time of 20 min. For powdery sample tests, this LFIA can endure interference from 25% (w/v) milk, 10% (w/v) baking soda and 10% (w/v) starch without any sample pre-treatment, and has a corresponding detection limit of 6×10(4) spores/g milk powder, 2×10(5) spores/g starch and 5×10(5) spores/g baking soda. Compared with existing methods, this new approach is very competitive in terms of sensitivity, specificity, cost and ease of operation. This proof-of-concept study can also be extended for detection of many other large-sized analytes. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

Benign Synthesis of Black Microspheres of Anatase TiO2 with Paramagnetic Oxygen Vacancies through NH3 Treatment.

Science.gov (United States)

Maqbool, Qysar; Srivastava, Aasheesh

2017-10-09

Coloured TiO 2 is coveted for its ability to extract energy from the visible region of electromagnetic spectrum. Here a facile synthesis of black anatase titania microspheres (B-TiO 2 ) through a two-step process is reported. In the first step, amorphous white TiO 2 microspheres (W-TiO 2 ) are obtained by hydrolysing titanium tetraisopropoxide by ammonia vapours in ethanol. In the second step, the W-TiO 2 is thermally annealed at 500 °C to obtain B-TiO 2 . The diffuse reflectance analysis showed that B-TiO 2 absorbs across visible spectrum with absorption extending well into NIR region. Raman scattering together with EPR analysis showed compelling evidence of the existence of oxygen deficiency within the crystal in B-TiO 2 that induces black colouration in the sample. The defects present in the black anatase sample were confirmed to be single-electron-trapped (or paramagnetic) oxygen vacancies (V o ⋅) by XPS and EPR studies. The magnetic susceptibility studies showed existence of antiferromagnetic interactions between these unpaired electron spins. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electron paramagnetic resonance study of conformational effects in alkyl-substituted 2-cyclohexanonyl radicals in an adamantane matrix

International Nuclear Information System (INIS)

Walter, H.F.

1975-01-01

Electron paramagnetic resonance spectra have been obtained for radicals produced by x-irradiation of cyclohexanone and various alkyl-substituted cyclohexanones trapped in an adamantane matrix. Temperature variation of these spectra permits determination of the enthalpy and entropy of activation for interconversion between the two half-chair conformations. In those cases where the two conformations have intrinsically different energies, the enthalpy and entropy differences between conformations are determined. For 2-cyclohexanonyl radical, the enthalpy of activation is 3.90 +- 0.07 kcal/mole and the entropy of activation is -2.3 +- 0.3 e.u. Methyl substitution on C 3 or C 5 gives a radical with activation parameters similar to the parent radical, indicating moderate realignment of atoms during the conformational change. Methyl substitution on C 4 gives a radical with lower activation parameters, which are interpreted to indicate conformational change mainly be a folding along the diagonal through the radical site. Larger groups attached to C 3 influence enthalpy and entropy differences between conformations much less than when they are attached to C 5 . Very large groups attached to C 5 apparently flatten the ring; it is not known whether or not this is a matrix effect. Deuteration seems to cause a slight reduction in the activation parameters for 2-cyclohexanonyl radical

High blocking temperature in SnO{sub 2} based super-paramagnetic diluted magnetic semiconductor

Energy Technology Data Exchange (ETDEWEB)

Mounkachi, O., E-mail: o.mounkachi@mascir.com [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble cedex 9 (France); Salmani, E. [LMPHE, associé au CNRST (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); El Moussaoui, H. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); Masrour, R. [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, Safi (Morocco); Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble cedex 9 (France); Hamedoun, M. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); Ez-Zahraouy, H. [LMPHE, associé au CNRST (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble cedex 9 (France); Benyoussef, A. [Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat (Morocco); LMPHE, associé au CNRST (URAC 12), Faculté des Sciences, Université Mohammed V-Agdal, Rabat (Morocco)

2014-11-25

Highlights: • Simple doping, (Sn,Fe)O{sub 2} exhibits a soft ferromagnetism at low temperature. • High blocking temperature was observed for Cu doped (Sn,Fe)O{sub 2} nanocrystalline. • Experimental results are confirmed by ab initio calculations. - Abstract: (Fe,Cu)-doped SnO{sub 2} nanocrystals was synthesized using the co-precipitation method. Magnetic Properties Measurement System (MPMS) revealed that for simple doping, Fe-doped SnO{sub 2} soft ferromagnetism at low temperature appears, while the ferromagnetic phase is stable at temperature higher than room temperature for Cu co-doping element. The ferromagnetism is significantly enhanced by the Cu addition to Fe-doped SnO{sub 2}, according to the ZFC and FC magnetizations and the hysteresis loops. The evidences for the existence of superparamagnetism are characterized and high blocking temperature super-paramagnetism in (Fe,Cu)-doped SnO{sub 2} nanocrystals was observed. Based on first-principles calculations, we have investigated electronic structures and magnetic properties of Fe-doped SnO{sub 2} and (Fe,Cu)-doped SnO{sub 2} with and without defect with LDA and LDA-SIC approximations. The results suggest that the oxygen vacancies (V{sub O}) play a critical role in the activation of ferromagnetism in Fe doped SnO{sub 2}. For (Fe,Cu)-doped SnO{sub 2} the results exhibit that Cu strongly influences on the magnetic properties of these doped systems which are in good agreement with the experimental observations. Electronic structure show that the presence of Cu promote the ferromagnetic bound magnetic polaron interaction through the carriers introduce by d (Cu)

A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces.

Science.gov (United States)

Sidabras, Jason W; Varanasi, Shiv K; Mett, Richard R; Swarts, Steven G; Swartz, Harold M; Hyde, James S

2014-10-01

A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg(2+) doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.

A microwave resonator for limiting depth sensitivity for electron paramagnetic resonance spectroscopy of surfaces

Energy Technology Data Exchange (ETDEWEB)

Sidabras, Jason W.; Varanasi, Shiv K.; Hyde, James S. [Department of Biophysics, Medical College of Wisconsin, Milwaukee, Wisconsin 53211 (United States); Mett, Richard R. [Department of Biophysics, Medical College of Wisconsin, Milwaukee, Wisconsin 53211 (United States); Department of Physics and Chemistry, Milwaukee School of Engineering, Milwaukee, Wisconsin 53202 (United States); Swarts, Steven G. [Department of Radiation Oncology, University of Florida, Gainesville, Florida, 32610 (United States); Swartz, Harold M. [Department of Radiology, Geisel Medical School at Dartmouth, Hanover, New Hampshire 03755 (United States)

2014-10-15

A microwave Surface Resonator Array (SRA) structure is described for use in Electron Paramagnetic Resonance (EPR) spectroscopy. The SRA has a series of anti-parallel transmission line modes that provides a region of sensitivity equal to the cross-sectional area times its depth sensitivity, which is approximately half the distance between the transmission line centers. It is shown that the quarter-wave twin-lead transmission line can be a useful element for design of microwave resonators at frequencies as high as 10 GHz. The SRA geometry is presented as a novel resonator for use in surface spectroscopy where the region of interest is either surrounded by lossy material, or the spectroscopist wishes to minimize signal from surrounding materials. One such application is in vivo spectroscopy of human finger-nails at X-band (9.5 GHz) to measure ionizing radiation dosages. In order to reduce losses associated with tissues beneath the nail that yield no EPR signal, the SRA structure is designed to limit depth sensitivity to the thickness of the fingernail. Another application, due to the resonator geometry and limited depth penetration, is surface spectroscopy in coating or material science. To test this application, a spectrum of 1.44 μM of Mg{sup 2+} doped polystyrene 1.1 mm thick on an aluminum surface is obtained. Modeling, design, and simulations were performed using Wolfram Mathematica (Champaign, IL; v. 9.0) and Ansys High Frequency Structure Simulator (HFSS; Canonsburg, PA; v. 15.0). A micro-strip coupling circuit is designed to suppress unwanted modes and provide a balanced impedance transformation to a 50 Ω coaxial input. Agreement between simulated and experimental results is shown.

Assessing topology and surface orientation of an antimicrobial peptide magainin 2 using mechanically aligned bilayers and electron paramagnetic resonance spectroscopy.

Science.gov (United States)

Mayo, Daniel J; Sahu, Indra D; Lorigan, Gary A

2018-07-01

Aligned CW-EPR membrane protein samples provide additional topology interactions that are absent from conventional randomly dispersed samples. These samples are aptly suited to studying antimicrobial peptides because of their dynamic peripheral topology. In this study, four consecutive substitutions of the model antimicrobial peptide magainin 2 were synthesized and labeled with the rigid TOAC spin label. The results revealed the helical tilts to be 66° ± 5°, 76° ± 5°, 70° ± 5°, and 72° ± 5° for the TOAC substitutions H7, S8, A9, and K10 respectively. These results are consistent with previously published literature. Using the EPR (electron paramagnetic resonance) mechanical alignment technique, these substitutions were used to critically assess the topology and surface orientation of the peptide with respect to the membrane. This methodology offers a rapid and simple approach to investigate the structural topology of antimicrobial peptides. Copyright © 2018 Elsevier B.V. All rights reserved.

Signature of ferro–paraelectric transition in biferroic LuCrO3 from electron paramagnetic resonance and non-resonant microwave absorption

International Nuclear Information System (INIS)

Alvarez, G.; Montiel, H.; Durán, A.; Conde-Gallardo, A.; Zamorano, R.

2014-01-01

An electron paramagnetic resonance (EPR) study in the polycrystalline biferroic LuCrO 3 is carried out at X-band (8.8–9.8 GHz) in the 295–510 K temperature range. For all the temperatures, the EPR spectra show a single broad line attributable to Cr 3+ (S = 3/2) ions. The onset of a ferro–paraelectric transition has been determined from the temperature dependence of the parameters deduced from EPR spectra: the peak-to-peak linewidth (ΔH pp ), the g-factor and the integral intensity (I EPR ). Magnetically modulated microwave absorption spectroscopy (MAMMAS) and low-field microwave absorption (LFMA) are used to give further information on this material, where these techniques give also evidence of the ferro–paraelectric transition; indicating a behavior in agreement with a diffuse phase transition. - Highlights: • LuCrO 3 powders are obtained via auto-ignition synthesis. • EPR is employed to study the onset of the ferro–paraelectric transition. • MAMMAS and LFMA techniques are used to give further information on this material

Evaluation of paramagnetic species in coals with iodine doping technique; Yoso tenkaho wo mochiita sekitanchu no jojiseishu no hyoka

Energy Technology Data Exchange (ETDEWEB)

Aizawa, S.; Kumagai, H.; Chiba, T. [Hokkaido University, Sapporo (Japan). Center for Advanced Research of Energy Technology

1996-10-28

Electron paramagnetic resonance (EPR) of coals was considered by using iodine doping technique. Sub-bituminous coal (WA) and bituminous coal (UF) were used to observe EPR spectra using microwaves. With the UF coal, strength of the narrow component of the spectra was found constant regardless of amount of the doped iodine, wherein radicals without interaction with iodine were detected. Strength of the broad component increased with the iodine doping amount, where in deviation of {pi} electrons was detected, which have been generated as a result of interaction between aromatic rings and iodine in the coals. Spin concentration of the WA coal with low coalification degree is constant regardless of the iodine doping amount, and the interaction of the iodine with the aromatic rings was found small. The higher the coalification degree, the more the aromatic ring structure grows, and electron donor capability for the iodine increases. In a system with the entire spin being uniform, the spectrum height shows a saturation phenomenon against increase in microwave output. A non-uniform system, in which the oriented spin forms small groups and is in local thermal equilibrium, does not show saturation, but increases monotonously. 2 refs., 5 figs.

Electron paramagnetic resonance studies of manganese centers in SrTiO.sub.3./sub.: Non-Kramers Mn.sup.3+./sup. ions and spin-spin coupled Mn.sup.4+./sup. dimers

Czech Academy of Sciences Publication Activity Database

Azamat, Dmitry; Dejneka, Alexandr; Lančok, Ján; Trepakov, Vladimír; Jastrabík, Lubomír; Badalyan, A. G.

2012-01-01

Roč. 111, č. 10 (2012), "104119-1"-"104119-6" ISSN 0021-8979. [International Symposium on Integrated Functionalities (ISIF) /22./. San Juan, Puerto Rico , 13.06.2010-16.06.2010] R&D Projects: GA TA ČR TA01010517; GA MŠk(CZ) LM2011029; GA ČR GAP108/12/1941 Grant - others:SAFMAT(CZ) CZ.2.16/3.1.00/22132 Institutional research plan: CEZ:AV0Z10100522 Keywords : electron paramagnetic resonance * X- and Q-band * SrTiO 3 doped with Mn Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.210, year: 2012

Electronic Paramagnetic Resonance of irradiated nails: challenges for a dosimetry in radiation accidents; Ressonancia Paramagnetica Eletronica de unhas irradiadas: desafios para uma dosimetria em acidentes radiologicos

Energy Technology Data Exchange (ETDEWEB)

Giannoni, Ricardo A., E-mail: giannoni@ird.gov.br [Instituto de Radioprotecao e Dosimetria, (IRD/CNEN-RJ), Rio de Janeiro, RJ (Brazil); Rodrigues Junior, Orlando [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2014-07-01

The purpose of this work is to characterize samples of human nails exposed to high doses of radiation, applying the technique of Electron Paramagnetic Resonance (EPR). The objective is to establish a dose response study that allow determine the absorbed dose by exposed individuals in situations of radiological accidents, in a retrospective form. Samples of human nails were collected and afterward irradiated with gamma radiation, and received dose of 20 Gy. The EPR measurement performed on the samples, before irradiation, permitted the signal identification of the components associated with effects caused by the mechanical stress during the fingernail cutting, the so-called mechanically induced signal (MIS). After the irradiation, different species of free radicals were identified, the so-called radiation induced signal (RIS). (author)

Paramagnetic particles carried by cell-penetrating peptide tracking of bone marrow mesenchymal stem cells, a research in vitro

International Nuclear Information System (INIS)

Liu Min; Guo Youmin; Wu Qifei; Yang Junle; Wang Peng; Wang Sicen; Guo Xiaojuan; Qiang Yongqian; Duan Xiaoyi

2006-01-01

The ability to track the distribution and differentiation of stem cells by high-resolution imaging techniques would have significant clinical and research implications. In this study, a model cell-penetrating peptide was used to carry gadolinium particles for magnetic resonance imaging of the mesenchymal stem cells. The mesenchymal stem cells were isolated from rat bone marrow by Percoll and identified by osteogenic differentiation in vitro. The cell-penetrating peptides labeled with fluorescein-5-isothiocyanate and gadolinium were synthesized by a solid-phase peptide synthesis method and the relaxivity of cell-penetrating peptide-gadolinium paramagnetic conjugate on 400 MHz nuclear magnetic resonance was 5.7311 ± 0.0122 mmol -1 s -1 , higher than that of diethylenetriamine pentaacetic acid gadolinium (p < 0.05). Fluorescein imaging confirmed that this new peptide could internalize into the cytoplasm and nucleus. Gadolinium was efficiently internalized into mesenchymal stem cells by the peptide in a time- or concentration-dependent fashion, resulting in intercellular T1 relaxation enhancement, which was obviously detected by 1.5 T magnetic resonance imaging. Cytotoxicity assay and flow cytometric analysis showed the intercellular contrast medium incorporation did not affect cell viability and membrane potential gradient. The research in vitro suggests that the newly constructed peptides could be a vector for tracking mesenchymal stem cells

A Quantitative Method to Monitor Reactive Oxygen Species Production by Electron Paramagnetic Resonance in Physiological and Pathological Conditions

Science.gov (United States)

Mrakic-Sposta, Simona; Gussoni, Maristella; Montorsi, Michela; Porcelli, Simone; Vezzoli, Alessandra

2014-01-01

The growing interest in the role of Reactive Oxygen Species (ROS) and in the assessment of oxidative stress in health and disease clashes with the lack of consensus on reliable quantitative noninvasive methods applicable. The study aimed at demonstrating that a recently developed Electron Paramagnetic Resonance microinvasive method provides direct evidence of the “instantaneous” presence of ROS returning absolute concentration levels that correlate with “a posteriori” assays of ROS-induced damage by means of biomarkers. The reliability of the choice to measure ROS production rate in human capillary blood rather than in plasma was tested (step I). A significant (P < 0.01) linear relationship between EPR data collected on capillary blood versus venous blood (R 2 = 0.95), plasma (R 2 = 0.82), and erythrocytes (R 2 = 0.73) was found. Then (step II) ROS production changes of various subjects' categories, young versus old and healthy versus pathological at rest condition, were found significantly different (range 0.0001–0.05 P level). The comparison of the results with antioxidant capacity and oxidative damage biomarkers concentrations showed that all changes indicating increased oxidative stress are directly related to ROS production increase. Therefore, the adopted method may be an automated technique for a lot of routine in clinical trials. PMID:25374651

Solid-state EPR strategies for the structural characterization of paramagnetic NO adducts of frustrated Lewis pairs (FLPs)

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Marcos de; Magon, Claudio José [Instituto de Física de São Carlos, Universidade de São Paulo, P.O. Box 369, 13560-970 São Carlos, São Paulo (Brazil); Wiegand, Thomas [Laboratorium für Physikalische Chemie, ETH Zürich, Vladimir-Prelog-Weg 2, 8049 Zürich (Switzerland); Elmer, Lisa-Maria; Sajid, Muhammad; Kehr, Gerald; Erker, Gerhard [Organisch-Chemisches Institut, WWU Münster, Corrensstraße 40, D 48149 Münster (Germany); Eckert, Hellmut, E-mail: eckerth@uni-muenster.de [Instituto de Física de São Carlos, Universidade de São Paulo, P.O. Box 369, 13560-970 São Carlos, São Paulo (Brazil); Institut für Physikalische Chemie, WWU Münster, Corrensstrasse 30, D 48149 Münster (Germany)

2015-03-28

Anisotropic interactions present in three new nitroxide radicals prepared by N,N addition of NO to various borane-phosphane frustrated Lewis pairs (FLPs) have been characterized by continuous-wave (cw) and pulsed X-band EPR spectroscopies in solid FLP-hydroxylamine matrices at 100 K. Anisotropic g-tensor values and {sup 11}B, {sup 14}N, and {sup 31}P hyperfine coupling tensor components have been extracted from continuous-wave lineshape analyses, electron spin echo envelope modulation (ESEEM), and hyperfine sublevel correlation spectroscopy (HYSCORE) experiments with the help of computer simulation techniques. Suitable fitting constraints are developed on the basis of density functional theory (DFT) calculations. These calculations reveal that different from the situation in standard nitroxide radicals (TEMPO), the g-tensors are non-coincident with any of the nuclear hyperfine interaction tensors. The determination of these interaction parameters turns out to be successful, as the cw- and pulse EPR experiments are highly complementary in informational content. While the continuous-wave lineshape is largely influenced by the anisotropic hyperfine coupling to {sup 14}N and {sup 31}P, the ESEEM and HYSCORE spectra contain important information about the {sup 11}B hyperfine coupling and nuclear electric quadrupolar interaction. The set of cw- and pulsed EPR experiments, with fitting constraints developed by DFT calculations, defines an efficient strategy for the structural analysis of paramagnetic FLP adducts.

Investigation of Antioxidant Activity of Pomegranate Juices by Means of Electron Paramagnetic Resonance and UV-Vis Spectroscopy.

Science.gov (United States)

Kozik, Violetta; Jarzembek, Krystyna; Jędrzejowska, Agnieszka; Bąk, Andrzej; Polak, Justyna; Bartoszek, Mariola; Pytlakowska, Katarzyna

2015-01-01

Pomegranate fruit (Punica granatum L.) is a source of numerous phenolic compounds, and it contains flavonoids such as anthocyanins, anthocyanidins, cyanidins, catechins and other complexes of flavonoids, ellagitannins, and hydrolyzed tannins. Pomegranate juice shows antioxidant, antiproliferative, and anti-atherosclerotic properties. The antioxidant capacity (TEAC) of the pomegranate juices was measured using electron paramagnetic resonance (EPR) spectroscopy and 1,1-diphenyl-2-picrylhydrazyl (DPPH•) as a source of free radicals, and the total phenolic (TP) content was measured using UV-Vis spectroscopy. All the examined pomegranate juices exhibited relatively high antioxidant properties. The TEAC values determined by means of EPR spectroscopy using Trolox (TE) as a free radical scavenger were in the range of 463.12 to 1911.91 μmol TE/100 mL juice. The TP content measured by the Folin-Ciocalteu method, using gallic acid (GA) as a free radical scavenger, widely varied in the investigated pomegranate juice samples and ranged from 1673.62 to 5263.87 mg GA/1 L juice. The strongest antioxidant properties were observed with the fresh pomegranate juices obtained from the fruits originating from Israel, Lebanon, and Azerbaijan. Correlation analysis of numerical data obtained by means of EPR spectroscopy (TEAC) and UV-Vis spectroscopy (TP) gave correlation coefficient (r)=0.90 and determination coefficient (r2)=0.81 (P<0.05).

Tuning the bimetallic amide-imide precursor system to make paramagnetic GaMnN nanopowders

Energy Technology Data Exchange (ETDEWEB)

Drygas, Mariusz [AGH University of Science and Technology, Faculty of Energy and Fuels, Al. Mickiewicza 30, 30-059 Krakow (Poland); Janik, Jerzy F., E-mail: janikj@agh.edu.pl [AGH University of Science and Technology, Faculty of Energy and Fuels, Al. Mickiewicza 30, 30-059 Krakow (Poland); Musial, Michal [AGH University of Science and Technology, Faculty of Energy and Fuels, Al. Mickiewicza 30, 30-059 Krakow (Poland); Gosk, Jacek [Warsaw University of Technology, Faculty of Physics, Koszykowa 75, 00-662 Warszawa (Poland); Twardowski, Andrzej, E-mail: andrzej.twardowski@fuw.edu.pl [University of Warsaw, Faculty of Physics, Pasteura 5, 02-093 Warszawa (Poland)

2016-09-01

A bimetallic molecular system made of gallium (III) tris(dimethyl)amide Ga(NMe{sub 2}){sub 3} and manganese (II) bis(trimethylsilyl)amide Mn[N(SiMe{sub 3}){sub 2}]{sub 2} (Me = CH{sub 3}, fixed initial Mn-content 10 at.%) was subjected to ammonolysis in refluxing/liquid ammonia. Upon isolation at room temperature, the amide-imide mixed metal precursor was pyrolyzed at elevated temperatures under an ammonia flow by two different routes. Route 1 consisted of a direct nitridation at high temperatures of 500, 700 or 900 °C. In route 2, a low temperature pyrolysis at 150 °C was applied prior to nitridation at the same final temperatures as in route 1. All nanopowders were characterized by XRD diffraction, FT-IR spectroscopy, and SEM/EDX microscopy and analysis. Thorough magnetization measurements in function of magnetic field and temperature were carried out with a SQUID magnetometer. In all samples, the paramagnetic phase of GaMnN was accompanied by an antiferromagnetic by-product linked to a Mn-containing species from decomposition and oxidation of Mn-precursor excess. The Mn-contents in the crystalline GaMnN, i.e., Mn-incorporated in GaN crystal lattice, were of the order of 2–3 at.% mostly independent on the nitridation route whereas the latter had a pronounced effect on amounts of the antiferromagnetic by-product. - Highlights: • New bimetallic precursor system for conversion to GaN/Mn nanopowders was designed. • Two conversion routes were applied with precursor nitridation at 500, 700 or 900 °C. • Prepared nanopowders were thoroughly characterized including magnetic measurements. • The major product was the gallium nitride Mn-doped phase GaMnN with 2–3 at.% of Mn.

Signature of ferro–paraelectric transition in biferroic LuCrO{sub 3} from electron paramagnetic resonance and non-resonant microwave absorption

Energy Technology Data Exchange (ETDEWEB)

Alvarez, G., E-mail: memodin@yahoo.com [Escuela Superior de Física y Matemáticas del Instituto Politécnico Nacional, U.P.A.L.M, Edificio 9, Av. Instituto Politécnico Nacional S/N, San Pedro Zacatenco, México DF 07738 (Mexico); Montiel, H. [Centro de Ciencias Aplicadas y Desarrollo Tecnológico de la Universidad Nacional Autónoma de México, Cd. Universitaria, A.P. 70-186, México DF 04510 (Mexico); Durán, A. [Centro de Nanociencias y Nanotecnología de la Universidad Nacional Autónoma de México, Km. 107, Carretera Tijuana-Ensenada, Apartado Postal 14, C.P. 22800 Ensenada, B.C. México (Mexico); Conde-Gallardo, A. [Departamento de Física, CINVESTAV-IPN, A.P. 14-740, México DF 07360 (Mexico); Zamorano, R. [Escuela Superior de Física y Matemáticas del Instituto Politécnico Nacional, U.P.A.L.M, Edificio 9, Av. Instituto Politécnico Nacional S/N, San Pedro Zacatenco, México DF 07738 (Mexico)

2014-12-15

An electron paramagnetic resonance (EPR) study in the polycrystalline biferroic LuCrO{sub 3} is carried out at X-band (8.8–9.8 GHz) in the 295–510 K temperature range. For all the temperatures, the EPR spectra show a single broad line attributable to Cr{sup 3+} (S = 3/2) ions. The onset of a ferro–paraelectric transition has been determined from the temperature dependence of the parameters deduced from EPR spectra: the peak-to-peak linewidth (ΔH{sub pp}), the g-factor and the integral intensity (I{sub EPR}). Magnetically modulated microwave absorption spectroscopy (MAMMAS) and low-field microwave absorption (LFMA) are used to give further information on this material, where these techniques give also evidence of the ferro–paraelectric transition; indicating a behavior in agreement with a diffuse phase transition. - Highlights: • LuCrO{sub 3} powders are obtained via auto-ignition synthesis. • EPR is employed to study the onset of the ferro–paraelectric transition. • MAMMAS and LFMA techniques are used to give further information on this material.

EPR- study of paramagnetic features of brown coal from Kiyakty coal deposit after mechanic activation and electron irradiation

International Nuclear Information System (INIS)

Ryabikin, Yu.A.; Zashkvara, O.V.; Popov, S.N.; Kairbekov, Zh.K.; Ershova, Zh.R.; Kupchishin, A.I.; Kovtunets, V.A.

2003-01-01

Full text: It is known that prospected coal resources exceed, at least by order of magnitude, petroleum reserves decreasing steeply at last time as a result of world oil consumption rise. In this connection the manufacture of different liquid products from coal, especially brown coal, is issue of the day. Liquid fuel yield depends on physical-chemical characteristics and their changes owing to preliminary chemical, mechanical and radiation treatment. In this paper some results of paramagnetic characteristic study of Kiyakty deposit coal as initial one as after its mechanical treatment and electron irradiation are presented. It is discovered that in Kiyakty coal there are, at least, two fractions differed in EPR line width and concentration of free radical states they contained. First fraction has EPR line width ΔH 1 =4-5 Oe and mean free radical states concentration N 1 = 2.4·10 17 sp/g. For samples of second fraction the EPR line width ΔH 2 = 6.6-7.2 Oe and N 2 = 1.8·10 18 sp/g are typical. Thus, in the second fraction the EPR line width and free radical states concentration are greater than in the first case. Besides free radical states in coal EPR signals were found from trivalent iron ions with g-factor approximated 2 and with g=4.3. It the signals with g=4.3, are practically identical for both fractions, their concentrations are neighbour and line width is ΔH 1 = 250 Oe, then for the lines near g=2.0 situation is markedly different. For the first fraction ΔH 1 = 800 Oe whereas for the second case two signals in this g-factor range are observed. The first signal has line width ΔH 1 = 550 Oe and g=l .97, the second is more wide with ΔH 1 = 1000 Oe and g=2.02. We cannot discover significant dependence of free radical states concentration on mechanic activation time. Obviously, life times of complementary free radical states generated in process of coal activation are very low. As Fe 3+ ions, for both fractions it is observed intensity growth of their

Electron paramagnetic resonance investigations of alpha-Al sub 2 O sub 3 powders doped with Fe sup 3 sup + ions: experiments and simulations

CERN Document Server

Buzare, J Y; Klein, J; Scholz, G; Stoesser, R; Nofz, M

2002-01-01

Electron paramagnetic resonance (EPR) of Fe sup 3 sup + ions in Al sub 2 O sub 3 is studied in powder samples prepared by different routes and/or modified by thermal or mechanical treatments, with different doping levels and grain sizes. The measurements are performed in various frequency bands (S, X, K, Q and W) and with bimodal detection in X-band. Simulations of the spectra are achieved with a code designed for computing EPR powder spectra described by any spin Hamiltonian including second-, fourth-and sixth-order ZFS terms (S <= 7/2). The linewidths, intensities and lineshapes are accounted for. The lineshape is Gaussian at low Fe sup 3 sup + concentration whereas it is Lorentzian for higher concentration. The linewidths are interpreted as the superimposition of three main contributions: intrinsic linewidth, dipolar broadening and broadening due to lattice imperfections. The latter is tentatively interpreted in terms of quadrupolar spin Hamiltonian parameter distributions treated using first-order pert...

Electron paramagnetic resonance and electron-nuclear double-resonance study of Ti sup 3 sup + centres in KTiOPO sub 4

CERN Document Server

Setzler, S D; Fernelius, N C; Scripsick, M P; Edwards, G J; Halliburton, L E

2003-01-01

Electron paramagnetic resonance and electron-nuclear double resonance have been used to characterize four Ti sup 3 sup + centres in undoped crystals of potassium titanyl phosphate (KTiOPO sub 4 or KTP). These 3d sup 1 defects (S = 1/2) are produced by ionizing radiation (either 60 kV x-rays or 355 nm photons from a tripled Nd:YAG laser), and form when the regular Ti sup 4 sup + ions in the crystal trap an electron. Two of these trapped-electron centres are only observed in hydrothermally grown KTP and the other two are dominant in flux-grown KTP. Both of the Ti sup 3 sup + centres in hydrothermally grown crystals have a neighbouring proton (i.e. an OH sup - molecule). In the flux-grown crystals, one of the Ti sup 3 sup + centres is adjacent to an oxygen vacancy and the other centre is tentatively attributed to a self-trapped electron (i.e. a Ti sup 3 sup + centre with no stabilizing entity nearby). The g matrix and phosphorus hyperfine matrices are determined for all four Ti sup 3 sup + centres, and the proto...

Electron paramagnetic resonance study of lipid and protein membrane components of erythrocytes oxidized with hydrogen peroxide

Energy Technology Data Exchange (ETDEWEB)

Mendanha, S.A.; Anjos, J.L.V.; Silva, A.H.M.; Alonso, A. [Instituto de Física, Universidade Federal de Goiás, Goiânia, GO (Brazil)

2012-04-05

Electron paramagnetic resonance (EPR) spectroscopy of spin labels was used to monitor membrane dynamic changes in erythrocytes subjected to oxidative stress with hydrogen peroxide (H{sub 2}O{sub 2}). The lipid spin label, 5-doxyl stearic acid, responded to dramatic reductions in membrane fluidity, which was correlated with increases in the protein content of the membrane. Membrane rigidity, associated with the binding of hemoglobin (Hb) to the erythrocyte membrane, was also indicated by a spin-labeled maleimide, 5-MSL, covalently bound to the sulfhydryl groups of membrane proteins. At 2% hematocrit, these alterations in membrane occurred at very low concentrations of H{sub 2}O{sub 2} (50 µM) after only 5 min of incubation at 37°C in azide phosphate buffer, pH 7.4. Lipid peroxidation, suggested by oxidative hemolysis and malondialdehyde formation, started at 300 µM H{sub 2}O{sub 2} (for incubation of 3 h), which is a concentration about six times higher than those detected with the probes. Ascorbic acid and α-tocopherol protected the membrane against lipoperoxidation, but did not prevent the binding of proteins to the erythrocyte membrane. Moreover, the antioxidant (+)-catechin, which also failed to prevent the cross-linking of cytoskeletal proteins with Hb, was very effective in protecting erythrocyte ghosts from lipid peroxidation induced by the Fenton reaction. This study also showed that EPR spectroscopy can be useful to assess the molecular dynamics of red blood cell membranes in both the lipid and protein domains and examine oxidation processes in a system that is so vulnerable to oxidation.

A combined positron emission tomography (PET)- electron paramagnetic resonance imaging (EPRI) system: initial evaluation of a prototype scanner.

Science.gov (United States)

Tseytlin, Mark; Stolin, Alexander V; Guggilapu, Priyaankadevi; Bobko, Andrey A; Khramtsov, Valery V; Tseytlin, Oxana; Raylman, Raymond R

2018-04-20

The advent of hybrid scanners, combining complementary modalities, has revolutionized imaging; enhancing clinical practice and biomedical research. In this project, we investigated the melding of two complementary, functional imaging methods: positron emission tomography (PET) and electron paramagnetic resonance imaging (EPRI). The PET radiotracers can provide important information about cellular parameters, such as glucose metabolism. While EPR probes can provide assessment of tissue microenvironment, measuring parameters such as oxygenation and pH, for example. A combined PET/EPRI scanner has the promise to provide new insights not attainable with current imagers by simultaneous acquisition of multiple components of tissue microenvironments. In this investigation, a prototype system was created by combing two existing scanners, modified for simultaneous imaging. Specifically, a silicon photomultiplier (SiPM) based PET scanner ring designed as a portable scanner was combined with an EPRI scanner designed for the imaging of small animals. The ability of the system to obtain simultaneous images was assessed with a small phantom consisting of four cylinders containing both PET and EPR tracers. The resulting images demonstrated the ability to obtain contemporaneous PET and ERP images without cross-modality interference. The next step in this project is the construction of pre-clinical PET/EPRI scanner for multi-parametric assessment of physiologically important parameters of tissue microenvironments. . © 2018 Institute of Physics and Engineering in Medicine.

A combined positron emission tomography (PET)-electron paramagnetic resonance imaging (EPRI) system: initial evaluation of a prototype scanner

Science.gov (United States)

Tseytlin, Mark; Stolin, Alexander V.; Guggilapu, Priyaankadevi; Bobko, Andrey A.; Khramtsov, Valery V.; Tseytlin, Oxana; Raylman, Raymond R.

2018-05-01

The advent of hybrid scanners, combining complementary modalities, has revolutionized the application of advanced imaging technology to clinical practice and biomedical research. In this project, we investigated the melding of two complementary, functional imaging methods: positron emission tomography (PET) and electron paramagnetic resonance imaging (EPRI). PET radiotracers can provide important information about cellular parameters, such as glucose metabolism. While EPR probes can provide assessment of tissue microenvironment, measuring oxygenation and pH, for example. Therefore, a combined PET/EPRI scanner promises to provide new insights not attainable with current imagers by simultaneous acquisition of multiple components of tissue microenvironments. To explore the simultaneous acquisition of PET and EPR images, a prototype system was created by combining two existing scanners. Specifically, a silicon photomultiplier (SiPM)-based PET scanner ring designed as a portable scanner was combined with an EPRI scanner designed for the imaging of small animals. The ability of the system to obtain simultaneous images was assessed with a small phantom consisting of four cylinders containing both a PET tracer and EPR spin probe. The resulting images demonstrated the ability to obtain contemporaneous PET and EPR images without cross-modality interference. Given the promising results from this initial investigation, the next step in this project is the construction of the next generation pre-clinical PET/EPRI scanner for multi-parametric assessment of physiologically-important parameters of tissue microenvironments.

Effects of diffusion and surface interactions on the line shape of electron paramagnetic resonances in the presence of a magnetic field gradient

International Nuclear Information System (INIS)

Schaden, M.; Zhao, K. F.; Wu, Z.

2007-01-01

In an evanescent wave magnetometer the Zeeman polarization is probed at micrometer to submicrometer distances from the cell surface. The electron paramagnetic resonance lines of an evanescent wave magnetometer in the presence of a magnetic field gradient exhibit edge enhancement seen previously in nuclear magnetic resonance lines. We present a theoretical model that describes quantitatively the shape of the magnetic resonance lines of an evanescent wave magnetometer under a wide range of experimental conditions. It accounts for diffusion broadening in the presence of a magnetic field gradient as well as interactions of spin polarized Rb atoms with the coated Pyrex glass surfaces. Depending on the field gradient, cell thickness, and buffer gas pressure, the resonance line may have the form of a single asymmetric peak or two peaks localized near the front and back surfaces in frequency space. The double-peaked response depends on average characteristics of the surface interactions. Its shape is sensitive to the dwell time, relaxation probability, and average phase shift of adsorbed spin polarized Rb atoms

Electron paramagnetic resonance studies on conformation states and metal ion exchange properties of vanadium bromoperoxidase

International Nuclear Information System (INIS)

de Boer, E.; Boon, K.; Wever, R.

1988-01-01

An electron paramagnetic resonance (EPR) study was carried out to examine structural aspects of vanadium-containing bromoperoxidase from the brown seaweed Ascophyllum nodosum. At high pH, the reduced form of bromoperoxidase showed an apparently axially symmetric EPR signal with 16 hyperfine lines. When the pH was lowered, a new EPR spectrum was formed. When EPR spectra of the reduced enzyme were recorded in the pH range from 4.2 to 8.4, it appeared that these changes were linked to a functional group with an apparent pK/sub a/ of about 5.4. In D 2 O this value for the pK/sub a/ was 5.3. It is suggested that these effects arise from protonation of histidine or aspartate/glutamate residues near the metal ion. The values for the isotropic hyperfine coupling constant of the reduced enzyme at both high and low pH are also consistent with a ligand field containing nitrogen and/or oxygen donor atoms. When reduced bromoperoxidase was dissolved in D 2 O or H 2 17 O instead of H 2 16 O, vanadium (IV) hyperfine line widths were markedly affected, demonstrating that water is a ligand of the metal ion. Together with previous work these findings suggest that vanadium (IV) is not involved in catalytic turnover and confirm the model in which the vanadium (V) ion of the native enzyme only serves to bind both hydrogen peroxide and bromide. After excess vanadate was added to a homogeneous preparation of purified bromoperoxidase, the extent of vanadium bound to the protein increased from 0.5 to 1.1, with a concomitant enhancement of enzymic activity. Finally, it is demonstrated that both vanadate (VO 4 3- ) and molybdate (MoO 4 2- ) compete for the same site on apobromoperoxidase

Electron paramagnetic resonance highlights that the oxygen effect contributes to the radiosensitizing effect of paclitaxel.

Directory of Open Access Journals (Sweden)

Fabienne Danhier

Full Text Available BACKGROUND: Paclitaxel (PTX is a potent anti-cancer chemotherapeutic agent and is widely used in the treatments of solid tumors, particularly of the breast and ovaries. An effective and safe micellar formulation of PTX was used to administer higher doses of PTX than Taxol® (the current commercialized drug. We hypothesize that PTX-loaded micelles (M-PTX may enhance tumor radiosensitivity by increasing the tumor oxygenation (pO(2. Our goals were (i to evaluate the contribution of the "oxygen effect" to the radiosensitizing effect of PTX; (ii to demonstrate the therapeutic relevance of the combination of M-PTX and irradiation and (iii to investigate the underlying mechanisms of the observed oxygen effect. METHODOLOGY AND PRINCIPAL FINDINGS: We used (PEG-p-(CL-co-TMC polymeric micelles to solubilize PTX. pO(2 was measured on TLT tumor-bearing mice treated with M-PTX (80 mg/kg using electron paramagnetic resonance (EPR oximetry. The regrowth delay following 10 Gy irradiation 24 h after M-PTX treatment was measured. The tumor perfusion was assessed by the patent blue staining. The oxygen consumption rate and the apoptosis were evaluated by EPR oximetry and the TUNEL assay, respectively. EPR oximetry experiments showed that M-PTX dramatically increases the pO(2 24 h post treatment. Regrowth delay assays demonstrated a synergy between M-PTX and irradiation. M-PTX increased the tumor blood flow while cells treated with M-PTX consumed less oxygen and presented more apoptosis. CONCLUSIONS: M-PTX improved the tumor oxygenation which leads to synergy between this treatment and irradiation. This increased pO(2 can be explained both by an increased blood flow and an inhibition of O(2 consumption.

Optical and electron paramagnetic resonance studies of the excited triplet states of UV-B absorbers: 2-ethylhexyl salicylate and homomenthyl salicylate.

Science.gov (United States)

Sugiyama, Kazuto; Tsuchiya, Takumi; Kikuchi, Azusa; Yagi, Mikio

2015-09-26

The energy levels and lifetimes of the lowest excited triplet (T1) states of UV-B absorbers, 2-ethylhexyl salicylate (EHS) and homomenthyl salicylate (HMS), and their deprotonated anions (EHS(-) and HMS(-)) were determined through measurements of phosphorescence and electron paramagnetic resonance (EPR) spectra in rigid solutions at 77 K. The observed T1 energies of EHS and HMS are higher than those of butylmethoxydibenzoylmethane, the most widely used UV-A absorber, and octyl methoxycinnamate, the most widely used UV-B absorber. The T1 states of EHS, HMS, EHS(-) and HMS(-) were assigned to almost pure (3)ππ* state from the observed T1 lifetimes and zero-field splitting parameters. EHS and HMS with an intramolecular hydrogen bond show a photoinduced phosphorescence enhancement in ethanol at 77 K. The EPR signals of the T1 states of EHS and HMS also increase in intensity with UV-irradiation time (photoinduced EPR enhancement). The T1 lifetimes of EHS and HMS at room temperature were determined through triplet-triplet absorption measurements in ethanol. The quantum yields of singlet oxygen production by EHS and HMS were determined by using time-resolved near-IR phosphorescence.

Quantum-Chemical Approach to NMR Chemical Shifts in Paramagnetic Solids Applied to LiFePO4 and LiCoPO4.

Science.gov (United States)

Mondal, Arobendo; Kaupp, Martin

2018-04-05

A novel protocol to compute and analyze NMR chemical shifts for extended paramagnetic solids, accounting comprehensively for Fermi-contact (FC), pseudocontact (PC), and orbital shifts, is reported and applied to the important lithium ion battery cathode materials LiFePO 4 and LiCoPO 4 . Using an EPR-parameter-based ansatz, the approach combines periodic (hybrid) DFT computation of hyperfine and orbital-shielding tensors with an incremental cluster model for g- and zero-field-splitting (ZFS) D-tensors. The cluster model allows the use of advanced multireference wave function methods (such as CASSCF or NEVPT2). Application of this protocol shows that the 7 Li shifts in the high-voltage cathode material LiCoPO 4 are dominated by spin-orbit-induced PC contributions, in contrast with previous assumptions, fundamentally changing interpretations of the shifts in terms of covalency. PC contributions are smaller for the 7 Li shifts of the related LiFePO 4 , where FC and orbital shifts dominate. The 31 P shifts of both materials finally are almost pure FC shifts. Nevertheless, large ZFS contributions can give rise to non-Curie temperature dependences for both 7 Li and 31 P shifts.

Spin Diffusion and Spin Lattice Relaxation of Dipolar Order in Solids Containing Paramagnetic Impurities

International Nuclear Information System (INIS)

Furman, G.B.; Panich, A.M.; Goren, S.D.

1998-01-01

The phenomena of spin diffusion and spin lattice relaxation of nuclear dipolar order in solids containing paramagnetic impurities (PI) is considered. We show that at the beginning of the relaxation process the diffusion vanishing regime realizes with non-exponential time dependence, R(t) ∼ exp [- (t/T 1d ) α ], where T 1d ∼ C p -1/α , C p is PI's concentration. For a homogeneous distribution of Pis and nuclear spins, α=Q/6, where Q is the sample dimensionality; for an inhomogeneous distribution, the sample is divided into q-dimensional subsystems, each containing one PI, yield- ing α= (Q + q) /6. This result coincides with experimental data for CaF 2 doped with 0.8 - 10 -3 ωt % of Mn 2+ , where the non-exponential decay of the dipolar signal with α= 0.83 has been observed [3]. Fitting the experimental data yields a good agreement with T 1d = 66 ms . For another independent check of the obtained results we use dependence of the relaxation time on impurities concentration. In accordance that 1/α=1.2 , we have T 1d ∼ C p -1 '. 2 . Exactly this dependence on impurity concentration of the relaxation time has been found in the experiment. Then the relaxation regime starts as a non-exponential time dependent, proceed asymptotically to an to an exponential function of time, to so called diffusion limited relaxation regime with relaxation time T 1d D is inversely depends on impurities concentration. This kind of relaxation behavior of the dipolar order takes place in the experiment [2]. Using experimental results [2] from this two regime we can estimate the diffusion coefficient of the nuclear dipolar order in CaF 2 , which gives for typical values of impurity concentration C p ∼ 10 18 cm 3 the diffusion coefficient of dipolar order in the interval D ∼ 10 -11 -i- 10 -12 cm 2 /sec which is coincide to the case of Zeeman energy spin diffusion