Physicochemical characterization, and relaxometry studies of micro-graphite oxide, graphene nanoplatelets, and nanoribbons.

PubMed

Paratala, Bhavna S; Jacobson, Barry D; Kanakia, Shruti; Francis, Leonard Deepak; Sitharaman, Balaji

2012-01-01

The chemistry of high-performance magnetic resonance imaging contrast agents remains an active area of research. In this work, we demonstrate that the potassium permanganate-based oxidative chemical procedures used to synthesize graphite oxide or graphene nanoparticles leads to the confinement (intercalation) of trace amounts of Mn(2+) ions between the graphene sheets, and that these manganese intercalated graphitic and graphene structures show disparate structural, chemical and magnetic properties, and high relaxivity (up to 2 order) and distinctly different nuclear magnetic resonance dispersion profiles compared to paramagnetic chelate compounds. The results taken together with other published reports on confinement of paramagnetic metal ions within single-walled carbon nanotubes (a rolled up graphene sheet) show that confinement (encapsulation or intercalation) of paramagnetic metal ions within graphene sheets, and not the size, shape or architecture of the graphitic carbon particles is the key determinant for increasing relaxivity, and thus, identifies nano confinement of paramagnetic ions as novel general strategy to develop paramagnetic metal-ion graphitic-carbon complexes as high relaxivity MRI contrast agents.

Physicochemical Characterization, and Relaxometry Studies of Micro-Graphite Oxide, Graphene Nanoplatelets, and Nanoribbons

PubMed Central

Paratala, Bhavna S.; Jacobson, Barry D.; Kanakia, Shruti; Francis, Leonard Deepak; Sitharaman, Balaji

2012-01-01

The chemistry of high-performance magnetic resonance imaging contrast agents remains an active area of research. In this work, we demonstrate that the potassium permanganate-based oxidative chemical procedures used to synthesize graphite oxide or graphene nanoparticles leads to the confinement (intercalation) of trace amounts of Mn2+ ions between the graphene sheets, and that these manganese intercalated graphitic and graphene structures show disparate structural, chemical and magnetic properties, and high relaxivity (up to 2 order) and distinctly different nuclear magnetic resonance dispersion profiles compared to paramagnetic chelate compounds. The results taken together with other published reports on confinement of paramagnetic metal ions within single-walled carbon nanotubes (a rolled up graphene sheet) show that confinement (encapsulation or intercalation) of paramagnetic metal ions within graphene sheets, and not the size, shape or architecture of the graphitic carbon particles is the key determinant for increasing relaxivity, and thus, identifies nano confinement of paramagnetic ions as novel general strategy to develop paramagnetic metal-ion graphitic-carbon complexes as high relaxivity MRI contrast agents. PMID:22685555

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

NASA Astrophysics Data System (ADS)

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.

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

PubMed

Biyik, Recep; Tapramaz, Recep

2009-10-15

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 degrees C and the semiquinone radical lives up to 140 degrees C while Mn(2+) sextet disappears just above 100 degrees 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.

Electron paramagnetic resonance of natural and gamma-irradiated alunite and kaolin mineral powders

NASA Astrophysics Data System (ADS)

Koksal, F.; Koseoglu, R.; Saka, I.; Basaran, E.; Sener, F.

2004-06-01

Natural alunite and kaolin minerals obtained from West Anatolia were investigated by electron paramagnetic resonance (EPR) in natural and gamma-irradiated states at room temperature and at 113 K. The paramagnetic centres at ambient temperature in natural alunite were attributed to the (C) over dot H 2OH, (C) over dot O-3(-), (S) over dot O-2(-), (C) over dot O-2(-) and [AlO4 ](0) radicals. In natural kaolin, the paramagnetic centres were attributed to the (C) over dot O-3(-), (S) over dot O-2(-) (C) over dot O-2(-) and [AlO4](0) radicals. The gamma-irradiation does not produce any detectable effects on these radicals. At 113 K, the lines for (C) over dot H2OH could not be observed well, probably due to the anisotropic behaviour of the hyperfine interaction of the methylene protons, but the lines for [AlO4](0) centres were found to be perfectly observable at above 20 mW microwave power in both alunite and kaolin powders before and after gamma-irradiation. The EPR parameters of the observed paramagnetic centres were reported.

Quasiclassical Theory on Third-Harmonic Generation in Conventional Superconductors with Paramagnetic Impurities

NASA Astrophysics Data System (ADS)

Jujo, Takanobu

2018-02-01

We investigate the third-harmonic generation (THG) of s-wave superconductors under microwave pulse irradiation. We consider the effect of paramagnetic impurities on the THG intensity of dirty superconductors. The nonlinear response function is calculated using the method of the quasiclassical Green function. It is shown that the amplitude mode is included as the vertex correction and makes a predominant contribution to the THG intensity. When the effect of paramagnetic impurities is weak, the THG intensity shows a peak at the temperature at which the superconducting gap is about the same as the frequency of the incident pulse, similarly to in experiments. As the effect of paramagnetic impurities is strengthened, the peak of the THG intensity disappears. This indicates that time-reversal symmetry breaking due to paramagnetic impurities eliminates the well-defined amplitude mode. The result of our calculation shows that the existence of the amplitude mode can be confirmed through the THG intensity. The result of a semiquantitative calculation is in good agreement with the experimental result, and it also shows that the diamagnetic term is negligible.

EPR Characterization of Dinitrosyl Iron Complexes with Thiol-Containing Ligands as an Approach to Their Identification in Biological Objects: An Overview.

PubMed

Vanin, Anatoly F

2018-06-01

The overview demonstrates how the use of only one physico-chemical approach, viz., the electron paramagnetic resonance method, allowed detection and identification of dinitrosyl iron complexes with thiol-containing ligands in various animal and bacterial cells. These complexes are formed in biological objects in the paramagnetic (electron paramagnetic resonance-active) mononuclear and diamagnetic (electron paramagnetic resonance-silent) binuclear forms and control the activity of nitrogen monoxide, one of the most universal regulators of metabolic processes in the organism. The analysis of electronic and spatial structures of dinitrosyl iron complex sheds additional light on the mechanism whereby dinitrosyl iron complex with thiol-containing ligands function in human and animal cells as donors of nitrogen monoxide and its ionized form, viz., nitrosonium ions (NO + ).

Van vleck paramagnetism in orthorhombic TiO2 (Brookite)

USGS Publications Warehouse

Senftle, F.E.; Thorpe, A.N.

1968-01-01

The magnetic susceptibility of the orthorhombic form of titanium dioxide has been measured from 5 to 300??K. After deducting the temperature-dependent component, which is probably due to defects or impurities, and the free-ion diamagnetic component, the Van Vleck paramagnetism was estimated to be 33??10-6 emu/mole. Comparison is made between this value and the Van Vleck paramagnetism of strontium titanate and the two tetragonal forms of titanium dioxide: rutile and anatase. ?? 1968 The American Physical Society.

Paramagnetic Europium Salen Complex and Sickle-Cell Anemia

NASA Astrophysics Data System (ADS)

Wynter, Clive I.; Ryan, D. H.; May, Leopold; Oliver, F. W.; Brown, Eugene; Hoffman, Eugene J.; Bernstein, David

2005-04-01

A new europium salen complex, Eu(salen)2NH4, was synthesized, and its composition was confirmed by chemical analysis and infrared spectroscopy. Further characterization was carried out by 151 Eu Mössbauer spectroscopy and magnetic susceptibility measurements. Mössbauer spectroscopic measurements were made at varying temperatures between 9 K and room temperature and a value of Debye temperature of 133 ±5 K was computed. Both Mössbauer and magnetic susceptibility measurements confirmed the paramagnetic behavior of this complex and the trivalent state of the europium ion. In view of the fact that the "odd" paramagnetic molecule NO has been shown to reverse sickling of red blood cells in sickle cell anemia, the interaction between the paramagnetic europium salen complex and sickle cells was examined after incubation with this europium complex and shown to have similar effects.

High-gradient permanent magnet apparatus and its use in particle collection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Mengdawn; Ludtka, Gerard Michael; Avens, Larry R.

A high-gradient permanent magnet apparatus for capturing paramagnetic particles, the apparatus comprising: (i) at least two permanent magnets positioned with like poles facing each other; (ii) a ferromagnetic spacer separating the like poles; and (iii) a magnetizable porous filling material in close proximity to the at least two permanent magnets. Also described is a method for capturing paramagnetic particles in which a gas or liquid sample containing the paramagnetic particles is contacted with the high-gradient permanent magnet apparatus described above; wherein, during the contacting step, the gas or liquid sample contacts the magnetizable porous filling material of the high-gradient permanentmore » magnet apparatus, and at least a portion of the paramagnetic particles in the gas or liquid sample is captured on the magnetizable porous filling material.« less

TRANSFORMER APPARATUS

DOEpatents

Wolfgang, F.; Nicol, J.

1962-11-01

Transformer apparatus is designed for measuring the amount of a paramagnetic substance dissolved or suspended in a diamagnetic liquid. The apparatus consists of a cluster of tubes, some of which are closed and have sealed within the diamagnetic substance without any of the paramagnetic material. The remaining tubes are open to flow of the mix- ture. Primary and secondary conductors are wrapped around the tubes in such a way as to cancel noise components and also to produce a differential signal on the secondaries based upon variations of the content of the paramagnetic material. (AEC)

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

PubMed

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.

The EPR of the triplet state of aryl cations in crystals of diazonium salts

NASA Astrophysics Data System (ADS)

Kondratenko, P. A.; Shrubovich, E. V.; Shulga, S. Z.

The spectra of the electron paramagnetic resonance (EPR) of aryl cations possessing a principle triplet ground-state and orientated in a monocrystal of diazonium salts is studied. It is shown that two nonequivalent paramagnetic centers, which differ in orientation are formed within the crystal. A theoretic description of experimental results is possible only when allowing for the effect of low symmetry. This symmetry is invoked by the interactivity of the paramagnetic center of symmetry C(sub 2v) with the crystal field of symmetry C(sub i).

Dynamics of paramagnetic agents by off-resonance rotating frame technique

NASA Astrophysics Data System (ADS)

Zhang, Huiming; Xie, Yang

2006-12-01

Off-resonance rotating frame technique offers a novel tool to explore the dynamics of paramagnetic agents at high magnetic fields ( B0 > 3 T). Based on the effect of paramagnetic relaxation enhancement in the off-resonance rotating frame, a new method is described here for determining the dynamics of paramagnetic ion chelates from the residual z-magnetizations of water protons. In this method, the dynamics of the chelates are identified by the difference magnetization profiles, which are the subtraction of the residual z-magnetization as a function of frequency offset obtained at two sets of RF amplitude ω1 and pulse duration τ. The choices of ω1 and τ are guided by a 2-D magnetization map that is created numerically by plotting the residual z-magnetization as a function of effective field angle θ and off-resonance pulse duration τ. From the region of magnetization map that is the most sensitive to the alteration of the paramagnetic relaxation enhancement efficiency R1 ρ/ R1, the ratio of the off-resonance rotating frame relaxation rate constant R1 ρ verse the laboratory frame relaxation rate constant R1, three types of difference magnetization profiles can be generated. The magnetization map and the difference magnetization profiles are correlated with the rotational correlation time τR of Gd-DTPA through numerical simulations, and further validated by the experimental data for a series of macromolecule conjugated Gd-DTPA in aqueous solutions. Effects of hydration water number q, diffusion coefficient D, magnetic field strength B0 and multiple rotational correlation times are explored with the simulations of the magnetization map. This method not only provides a simple and reliable approach to determine the dynamics of paramagnetic labeling of molecular/cellular events at high magnetic fields, but also a new strategy for spectral editing in NMR/MRI based on the dynamics of paramagnetic labeling in vivo.

Investigating the Distribution of Stable Paramagnetic Species in an Apple Seed Using X-Band EPR and EPR Imaging.

PubMed

Nakagawa, Kouichi; Epel, Boris

2017-03-01

This study investigated the location and distribution of paramagnetic species in apple seeds using electron paramagnetic resonance (EPR) and X-band (9 GHz) EPR imaging (EPRI). EPR primarily detected two paramagnetic species per measured seed. These two different radical species were assigned as stable radicals and Mn 2+ species based on the g values and hyperfine components. The signal from the stable radical was noted at g ≈ 2.00 and was strong and relatively stable. The subsequent noninvasive EPRI of the radical present in each seed revealed that the stable radicals were located primarily in the seed coat, with very few radicals observed in the cotyledon of the seed. These results indicate that the stable radical species were only found within the seed coat, and few radical species were found in other seed parts.

Buckling of paramagnetic chains in soft gels

NASA Astrophysics Data System (ADS)

Huang, Shilin; Pessot, Giorgio; Cremer, Peet; Weeber, Rudolf; Holm, Christian; Nowak, Johannes; Odenbach, Stefan; Menzel, Andreas M.; Auernhammer, Günter K.

We study the magneto-elastic coupling behavior of paramagnetic chains in soft polymer gels exposed to external magnetic fields. To this end, a laser scanning confocal microscope is used to observe the morphology of the paramagnetic chains together with the deformation field of the surrounding gel network. The paramagnetic chains in soft polymer gels show rich morphological shape changes under oblique magnetic fields, in particular a pronounced buckling deformation. The details of the resulting morphological shapes depend on the length of the chain, the strength of the external magnetic field, and the modulus of the gel. Based on the observation that the magnetic chains are strongly coupled to the surrounding polymer network, a simplified model is developed to describe their buckling behavior. A coarse-grained molecular dynamics simulation model featuring an increased matrix stiffness on the surfaces of the particles leads to morphologies in agreement with the experimentally observed buckling effects.

Paramagnetic resonance and susceptibility of ilmenite, FeTiO3 crystal

NASA Technical Reports Server (NTRS)

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.

[Detection of the lethal process in plankton noctiluca by means of a forbidden transition of ESR of Mn2+ ion].

PubMed

Kamenev, S E; Kopvillem, U Kh; Pasynkov, A S; Sharipov, R Z

1981-01-01

A forbidden ESR line of Mn2+ that is connected with the penetration of Mn into the plancton organism and binding it to a marcomolecule is selected from the experiment. A method for saturating the plancton organism with paramagnetic ions is proposed. It is shown that the constant of the axial electric field in the spin hamiltonian of Mn2+ ion described the dynamics of a selforganizing system. It is tested that the lethal process in the plancton with paramagnetic ion enrichment originated from boson avalanche. Experiments are performed with plancton noctiluca which illustrate the occurrence of avalancheline lethal process in the case of paramagnetic ion enrichment with limiting concentration. The meaning of these results for the problems of oceanology and pollution-ocean inhabitants interaction in the case of paramagnetic ions is discussed.

Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture

NASA Astrophysics Data System (ADS)

Mozafari, Elham; Alling, Björn; Belov, Maxim P.; Abrikosov, Igor A.

2018-01-01

Using the disordered local moments approach in combination with the ab initio molecular dynamics method, we simulate the behavior of a paramagnetic phase of NiO at finite temperatures to investigate the effect of magnetic disorder, thermal expansion, and lattice vibrations on its electronic structure. In addition, we study its lattice dynamics. We verify the reliability of our theoretical scheme via comparison of our results with available experiment and earlier theoretical studies carried out within static approximations. We present the phonon dispersion relations for the paramagnetic rock-salt (B1) phase of NiO and demonstrate that it is dynamically stable. We observe that including the magnetic disorder to simulate the paramagnetic phase has a small yet visible effect on the band gap. The amplitude of the local magnetic moment of Ni ions from our calculations for both antiferromagnetic and paramagnetic phases agree well with other theoretical and experimental values. We demonstrate that the increase of temperature up to 1000 K does not affect the electronic structure strongly. Taking into account the lattice vibrations and thermal expansion at higher temperatures have a major impact on the electronic structure, reducing the band gap from ˜3.5 eV at 600 K to ˜2.5 eV at 2000 K. We conclude that static lattice approximations can be safely employed in simulations of the paramagnetic state of NiO up to relatively high temperatures (˜1000 K), but as we get closer to the melting temperature vibrational effects become quite large and therefore should be included in the calculations.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rocker, J.; Cornu, D.; Kieseritzky, E.

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 themore » 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 species with a density of approximately 5 × 10{sup 11} spins/cm{sup 2}, which is comparable to the limit obtained for the presently available UHV-EPR spectrometer operating at 10 GHz (X-band). Investigation of electron trapped centers in MgO(001) films shows that the increased resolution offered by the experiments at W-band allows to identify new paramagnetic species, that cannot be differentiated with the currently available methodology.« less

Microscale Demonstration of the Paramagnetism of Liquid Oxygen with a Neodymium Magnet

ERIC Educational Resources Information Center

Mattson, Bruce

2007-01-01

A microscale classroom demonstration of the paramagnetic behavior of various samples of liquid oxygen with neodymium magnet is being presented. The experiment should be done with extreme caution, as liquid oxygen reacts violently with organic matters.

Ferromagnetic clusters induced by a nonmagnetic random disorder in diluted magnetic semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bui, Dinh-Hoi; Physics Department, Hue University’s College of Education, 34 Le Loi, Hue; Phan, Van-Nham, E-mail: phanvannham@dtu.edu.vn

In this work, we analyze the nonmagnetic random disorder leading to a formation of ferromagnetic clusters in diluted magnetic semiconductors. The nonmagnetic random disorder arises from randomness in the host lattice. Including the disorder to the Kondo lattice model with random distribution of magnetic dopants, the ferromagnetic–paramagnetic transition in the system is investigated in the framework of dynamical mean-field theory. At a certain low temperature one finds a fraction of ferromagnetic sites transiting to the paramagnetic state. Enlarging the nonmagnetic random disorder strength, the paramagnetic regimes expand resulting in the formation of the ferromagnetic clusters.

Magnetic resonance force microscopy with a paramagnetic probe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berman, G. P.; Gorshkov, V. N.; Tsifrinovich, V. I.

Here, we consider theoretically extension of magnetic resonance force microscopy (MRFM) replacing a ferromagnetic probe on a cantilever tip (CT) with a paramagnetic one (PMRFM). The dynamics of the interaction between the paramagnetic probe and a local magnetic moment in a sample is analyzed, using a quasi-classical approach. We show that the application of a proper sequence of electromagnetic pulses provides a significant deflection of the CT from the initial equilibrium position. Periodic application of these sequences of pulses results in quasi-periodic CT deflections from the equilibrium, which can be used for detection of the magnetic moment in a sample.

Dedicated Co-deposition System for Metallic Paramagnetic Films

DOE PAGES

Jaeckel, F.; Kotsubo, V.; Hall, J. A.; ...

2012-01-27

Here, we describe a dedicated co-sputtering/ion-mill system developed to study metallic paramagnetic films for use in magnetic microcalorimetry. Small-diameter sputtering guns allow study of several precious-metal-based paramagnetic alloy systems within a reasonable budget. We demonstrated safe operation of a 1" sputtering gun at >5x the rated maximum power, achieving deposition rates up to ~900 Å/min/gun (Cu) in our co-sputtering geometry. Demonstrated co-sputtering deposition ratios up to 100:1 allow accurate tuning of magnetic dopant concentration and eliminate the difficulty of preparing homogeneous alloy targets of extreme dilution.

Magnetic resonance force microscopy with a paramagnetic probe

NASA Astrophysics Data System (ADS)

Berman, G. P.; Gorshkov, V. N.; Tsifrinovich, V. I.

2017-04-01

We consider theoretically extension of magnetic resonance force microscopy (MRFM) replacing a ferromagnetic probe on a cantilever tip (CT) with a paramagnetic one (PMRFM). The dynamics of the interaction between the paramagnetic probe and a local magnetic moment in a sample is analyzed, using a quasi-classical approach. We show that the application of a proper sequence of electromagnetic pulses provides a significant deflection of the CT from the initial equilibrium position. Periodic application of these sequences of pulses results in quasi-periodic CT deflections from the equilibrium, which can be used for detection of the magnetic moment in a sample.

Improved paramagnetic chelate for molecular imaging with MRI

NASA Astrophysics Data System (ADS)

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.

Magnetic resonance force microscopy with a paramagnetic probe

DOE PAGES

Berman, G. P.; Gorshkov, V. N.; Tsifrinovich, V. I.

2017-04-01

Here, we consider theoretically extension of magnetic resonance force microscopy (MRFM) replacing a ferromagnetic probe on a cantilever tip (CT) with a paramagnetic one (PMRFM). The dynamics of the interaction between the paramagnetic probe and a local magnetic moment in a sample is analyzed, using a quasi-classical approach. We show that the application of a proper sequence of electromagnetic pulses provides a significant deflection of the CT from the initial equilibrium position. Periodic application of these sequences of pulses results in quasi-periodic CT deflections from the equilibrium, which can be used for detection of the magnetic moment in a sample.

Cancer detection based on Raman spectra super-paramagnetic clustering

NASA Astrophysics Data System (ADS)

González-Solís, José Luis; Guizar-Ruiz, Juan Ignacio; Martínez-Espinosa, Juan Carlos; Martínez-Zerega, Brenda Esmeralda; Juárez-López, Héctor Alfonso; Vargas-Rodríguez, Héctor; Gallegos-Infante, Luis Armando; González-Silva, Ricardo Armando; Espinoza-Padilla, Pedro Basilio; Palomares-Anda, Pascual

2016-08-01

The clustering of Raman spectra of serum sample is analyzed using the super-paramagnetic clustering technique based in the Potts spin model. We investigated the clustering of biochemical networks by using Raman data that define edge lengths in the network, and where the interactions are functions of the Raman spectra's individual band intensities. For this study, we used two groups of 58 and 102 control Raman spectra and the intensities of 160, 150 and 42 Raman spectra of serum samples from breast and cervical cancer and leukemia patients, respectively. The spectra were collected from patients from different hospitals from Mexico. By using super-paramagnetic clustering technique, we identified the most natural and compact clusters allowing us to discriminate the control and cancer patients. A special interest was the leukemia case where its nearly hierarchical observed structure allowed the identification of the patients's leukemia type. The goal of this study is to apply a model of statistical physics, as the super-paramagnetic, to find these natural clusters that allow us to design a cancer detection method. To the best of our knowledge, this is the first report of preliminary results evaluating the usefulness of super-paramagnetic clustering in the discipline of spectroscopy where it is used for classification of spectra.

Apparatus for magnetic separation of paramagnetic and diamagnetic material

DOEpatents

Doctor, Richard D.

1988-01-01

The present invention relates to methods and apparatus for segregating paramagnetic from diamagnetic particles in particulate material and, in particular, to the open gradient magnetic separation of ash producing components and pyritic sulfur from coal. The apparatus includes a vertical cylinder and a rotatable vertical screw positioned within the cylinder, the screw having a helical blade angled downwardly and outwardly from the axis. Rotation of the vertical screw causes denser particles, which in the case of coal include pyritic sulfur and ash, which are paramagnetic, to migrate to the outside of the screw, and less dense particles, such as the low sulfur organic portion of the coal, which are diamagnetic, to migrate towards the center of the screw. A vibration mechanism attached to the screw causes the screw to vibrate during rotation, agitating and thereby accommodating further segregation of the particles. An open gradient magnetic field is applied circumferentially along the entire length of the screw by a superconducting quadropole magnet. The open gradient magnetic field further segregates the paramagnetic particles from the diamagnetic particles. The paramagnetic particles may then be directed from the cylinder into a first storage bin, and the diamagnetic particles, which are suitable for relatively clean combustion, may be directed into a second storage bin.

Apparatus for magnetic separation of paramagnetic and diamagnetic material

DOEpatents

Doctor, R.D.

1988-10-18

The present invention relates to methods and apparatus for segregating paramagnetic from diamagnetic particles in particulate material and, in particular, to the open gradient magnetic separation of ash producing components and pyritic sulfur from coal. The apparatus includes a vertical cylinder and a rotatable vertical screw positioned within the cylinder, the screw having a helical blade angled downwardly and outwardly from the axis. Rotation of the vertical screw causes denser particles, which in the case of coal include pyritic sulfur and ash, which are paramagnetic, to migrate to the outside of the screw, and less dense particles, such as the low sulfur organic portion of the coal, which are diamagnetic, to migrate towards the center of the screw. A vibration mechanism attached to the screw causes the screw to vibrate during rotation, agitating and thereby accommodating further segregation of the particles. An open gradient magnetic field is applied circumferentially along the entire length of the screw by a superconducting quadrupole magnet. The open gradient magnetic field further segregates the paramagnetic particles from the diamagnetic particles. The paramagnetic particles may then be directed from the cylinder into a first storage bin, and the diamagnetic particles, which are suitable for relatively clean combustion, may be directed into a second storage bin. 5 figs.

Apparatus for magnetic separation of paramagnetic and diamagnetic material

DOEpatents

Doctor, R.D.

1986-07-24

The present invention relates to methods and apparatus for segregating paramagnetic from diamagnetic particles in particulate material and, in particular, to the open gradient magnetic separation of ash producing components and pyritic sulfur from coal. The apparatus includes a vertical cylinder and a rotatable vertical screw positioned within the cylinder, the screw having a helical blade angled downwardly and outwardly from the axis. Rotation of the vertical screw causes denser particles, which in the case of coal include pyritic sulfur and ash, which are paramagnetic, to migrate to the outside of the screw, and less dense particles, such as the low sulfur organic portion of the coal, which are diamagnetic, to migrate towards the center of the screw. A vibration mechanism attached to the screw causes the screw to vibrate during rotation, agitating and thereby accommodating further segregation of the particles. An open gradient magnetic field is applied circumferentially along the entire length of the screw by a superconducting quadrupole magnet. The open gradient magnetic field further segregates the paramagnetic-particles from the diamagnetic particles. The paramagnetic particles may then be directed from the cylinder into a first storage bin, and the diamagnetic particles, which are suitable for relatively clean combustion, may be directed into a second storage bin. 5 figs.

Development of a Hybrid EPR/NMR Coimaging System

PubMed Central

Samouilov, Alexandre; Caia, George L.; Kesselring, Eric; Petryakov, Sergey; Wasowicz, Tomasz; Zweier, Jay L.

2010-01-01

Electron paramagnetic resonance imaging (EPRI) is a powerful technique that enables spatial mapping of free radicals or other paramagnetic compounds; however, it does not in itself provide anatomic visualization of the body. Proton magnetic resonance imaging (MRI) is well suited to provide anatomical visualization. A hybrid EPR/NMR coimaging instrument was constructed that utilizes the complementary capabilities of both techniques, superimposing EPR and proton-MR images to provide the distribution of paramagnetic species in the body. A common magnet and field gradient system is utilized along with a dual EPR and proton-NMR resonator assembly, enabling coimaging without the need to move the sample. EPRI is performed at ~1.2 GHz/~40 mT and proton MRI is performed at 16.18 MHz/~380 mT; hence the method is suitable for whole-body coimaging of living mice. The gradient system used is calibrated and controlled in such a manner that the spatial geometry of the two acquired images is matched, enabling their superposition without additional postprocessing or marker registration. The performance of the system was tested in a series of phantoms and in vivo applications by mapping the location of a paramagnetic probe in the gastrointestinal (GI) tract of mice. This hybrid EPR/NMR coimaging instrument enables imaging of paramagnetic molecules along with their anatomic localization in the body. PMID:17659621

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

NASA Astrophysics Data System (ADS)

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.

Separation of Diamagnetic and Paramagnetic Fabrics Reveals Strain Directions in Carbonate Rocks

NASA Astrophysics Data System (ADS)

Issachar, R.; Levi, T.; Marco, S.; Weinberger, R.

2018-03-01

We present a new procedure for separating magnetic fabrics in coccolith-bearing chalk samples, demonstrated in the case studies of three sites located within the Dead Sea Fault (DSF) plate boundary. The separation is achieved by combining measurements of room temperature and low-temperature anisotropy of magnetic susceptibility (RT-AMS and LT-AMS, respectively) with anisotropy of anhysteretic remanence magnetization (AARM). The LT-AMS, measured at 77 K, enhances the fabric of paramagnetic clay minerals. The AARM represents the fabric of ferromagnetic Fe oxides. By subtracting the paramagnetic and ferromagnetic fabrics from the RT-AMS, the diamagnetic fabric is separated. In the studied samples, we found that the ferromagnetic contribution to the bulk magnetic fabric is negligible and could be excluded from the subtraction procedure. Our analysis indicates that in chalks with a negligible ferromagnetic contribution, diamagnetic fabric predominates the rock bulk magnetic fabric, if the mean susceptibility is <-6 × 10-6 SI, whereas with a mean susceptibility >11 × 10-6 SI, paramagnetic fabric predominates. In the studied rocks, the paramagnetic clay minerals preserve the original depositional fabric, whereas the diamagnetic minerals show a tectonic fabric. We propose a mechanism by which coccolith rotation under tectonic strain contributes to the development of the diamagnetic fabric parallel to the shortening direction. We infer that the diamagnetic fabrics of the studied rocks indicate strain regime of approximately N-S horizontal shortening near strands of the DSF system. This suggests a deflection of the regional principal strain axes near the DSF. The diamagnetic fabric is more sensitive to tectonic strain than paramagnetic fabric in chalks and provides a valuable strain indicator near major faults.

The Effect of Electronic Paramagnetism on Nuclear Magnetic Resonance Frequencies in Metals

DOE R&D Accomplishments Database

Townes, C. H.; Herring, C.; Knight, W. D.

1950-09-22

Observations on the shifts of nuclear resonances in metals ( Li{sup 7}, Na{sup 23}, Cu {sup 63}, Be{sup 9}, Pb{sup 207}, Al{sup 27}, and Ca{sup 69} ) due to free electron paramagnetism; comparison with theoretical values.

Complexation of β-cyclodextrin with dual molecular probes bearing fluorescent and paramagnetic moieties linked by short polyether chains.

PubMed

Mocanu, S; Matei, I; Ionescu, S; Tecuceanu, V; Marinescu, G; Ionita, P; Culita, D; Leonties, A; Ionita, Gabriela

2017-10-18

Electron paramagnetic resonance (EPR) and fluorescence spectroscopies provide molecular-level insights on the interaction of paramagnetic and fluorescent species with the microenvironment. A series of dual molecular probes bearing fluorescent and paramagnetic moieties linked by flexible short polyether chains have been synthesized. These new molecular probes open the possibility to investigate various multi-component systems such as host-guest systems, polymeric micelles, gels and protein solutions by using EPR and fluorescence spectroscopies concertedly. The EPR and fluorescence spectra of these compounds show that the dependence of the rotational correlation time and fluorescence quantum yield on the chain length of the linker is not linear, due to the flexibility of the polyether linker. The quenching effect of the nitroxide moiety on the fluorescence intensity of the pyrene group varies with the linker length and flexibility. The interaction of these dual molecular probes with β-cyclodextrin, in solution and in polymeric gels, was evaluated and demonstrated by analysis of EPR and fluorescence spectra.

The dual role of paramagnetic particles for integrated lysis and measurement in a rapid immunoassay for intracellular proteins.

PubMed

Sharif, Elham; Kiely, Janice; Wraith, Patrick; Luxton, Richard

2013-05-01

A novel, integrated lysis and immunoassay methodology and system for intracellular protein measurement are described. The method uses paramagnetic particles both as a lysis agent and assay label resulting in a rapid test requiring minimal operator intervention, the test being homogeneous and completed in less than 10 min. A design study highlights the critical features of the magnetic detection system used to quantify the paramagnetic particles and a novel frequency-locked loop-based magnetometer is presented. A study of paramagnetic particle enhanced lysis demonstrates that the technique is more than twice as efficient at releasing intracellular protein as ultrasonic lysis alone. Results are presented for measurements of intracellular prostate specific antigen in an LNCAP cell line. This model was selected to demonstrate the rapidity and efficiency of intracellular protein quantification. It was shown that, on average, LNCAP cells contained 0.43 fg of prostate specific antigen. This system promises an attractive solution for applications that require a rapid determination of intracellular proteins.

CoAs: The line of 3 d demarcation

NASA Astrophysics Data System (ADS)

Campbell, Daniel J.; Wang, Limin; Eckberg, Chris; Graf, Dave; Hodovanets, Halyna; Paglione, Johnpierre

2018-05-01

Transition metal-pnictide compounds have received attention for their tendency to combine magnetism and unconventional superconductivity. Binary CoAs lies on the border of paramagnetism and the more complex behavior seen in isostructural CrAs, MnP, FeAs, and FeP. Here we report the properties of CoAs single crystals grown with two distinct techniques along with density functional theory calculations of its electronic structure and magnetic ground state. While all indications are that CoAs is paramagnetic, both experiment and theory suggest proximity to a ferromagnetic instability. Quantum oscillations are seen in torque measurements up to 31.5 T and support the calculated paramagnetic Fermiology.

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

NASA Astrophysics Data System (ADS)

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.

Paramagnetic and Diamagnetic Materials

ERIC Educational Resources Information Center

Thompson, Frank

2011-01-01

Paramagnetic and diamagnetic materials are now generally known as the "Cinderella" materials of the magnetic world. However, susceptibility measurements made on these materials in the past have revealed many details about the molecular bonding and the atomic structure of the so-called "transition" elements. Indeed, the magnetic moment of neodymium…

Dual excitation acoustic paramagnetic logging tool

DOEpatents

Vail, III, William B.

1989-01-01

New methods and apparatus are disclosed which allow measurement of the presence of oil and water in gelogical formations using a new physical effect called the Acoustic Paramagnetic Logging Effect (APLE). The presence of petroleum in formation causes a slight increase in the earth's magnetic field in the vicinity of the reservoir. This is the phenomena of paramagnetism. Application of an acoustic source to a geological formation at the Larmor frequency of the nucleous present causes the paramagnetism of the formation to disappear. This results in a decrease in the earth's magnetic field in the vicinity of the oil bearing formation. Repetitively frequency sweeping the acoustic source through the Larmor frequency of the nucleons present (approx. 2 kHz) causes an amplitude modulation of the earth's magnetic field which is a consequence of the APLE. The amplitude modulation of the earth's magnetic field is measured with an induction coil gradiometer and provides a direct measure of the amount of oil and water in the excitation zone of the formation. The phase of the signal is used to infer the longitudinal relaxation times of the fluids present, which results in the ability in general to separate oil and water and to measure the viscosity of the oil present. Such measurements may be preformed in open boreholes and in cased well bores. The Dual Excitation Acoustic Paramagnetic Logging Tool employing two acoustic sources is also described.

Dual excitation acoustic paramagnetic logging tool

DOEpatents

Vail, W.B. III.

1989-02-14

New methods and apparatus are disclosed which allow measurement of the presence of oil and water in geological formations using a new physical effect called the Acoustic Paramagnetic Logging Effect (APLE). The presence of petroleum in formation causes a slight increase in the earth's magnetic field in the vicinity of the reservoir. This is the phenomena of paramagnetism. Application of an acoustic source to a geological formation at the Larmor frequency of the nucleons present causes the paramagnetism of the formation to disappear. This results in a decrease in the earth's magnetic field in the vicinity of the oil bearing formation. Repetitively frequency sweeping the acoustic source through the Larmor frequency of the nucleons present (approx. 2 kHz) causes an amplitude modulation of the earth's magnetic field which is a consequence of the APLE. The amplitude modulation of the earth's magnetic field is measured with an induction coil gradiometer and provides a direct measure of the amount of oil and water in the excitation zone of the formation. The phase of the signal is used to infer the longitudinal relaxation times of the fluids present, which results in the ability in general to separate oil and water and to measure the viscosity of the oil present. Such measurements may be performed in open boreholes and in cased well bores. The Dual Excitation Acoustic Paramagnetic Logging Tool employing two acoustic sources is also described. 6 figs.

Basic magnetic properties of bituminous coal

USGS Publications Warehouse

Alexander, C.C.; Thorpe, A.N.; Senftle, F.E.

1979-01-01

Magnetic susceptibility and other static magnetic parameters have been measured on a number of bituminous coals from various locations in the United States. The paramagnetic Curie constant correlates negatively with carbon concentration on a moisture-free basis. The major contribution to the total paramagnetism comes from the mineral matter rather than from free radicals or broken bonds. Analysis of the data indicates that the specific paramagnetism is generally lower in the mineral matter found in high-ash compared to low-ash coal. A substantial number of the coal specimens tested also had a ferromagnetic susceptibility which appeared to be associated with magnetite. Magnetite and ??-iron spherules, possibly of meteoritic or volcanic origin, were found in several specimens. ?? 1979.

Excess-Si related defect centers in buried SiO2 thin films

NASA Astrophysics Data System (ADS)

Warren, W. L.; Fleetwood, D. M.; Shaneyfelt, M. R.; Schwank, J. R.; Winokur, P. S.; Devine, R. A. B.

1993-06-01

Using electron paramagnetic resonance (EPR) and capacitance-voltage measurements we have investigated the role of excess-silicon related defect centers as charge traps in separation by the implantation of oxygen materials. Three types of EPR-active centers were investigated: oxygen vacancy Eγ' centers (O3≡Si• +Si≡O3), delocalized Eδ' centers, and D centers (Si3≡Si•). It was found that all of these paramagnetic centers are created by selective hole injection, and are reasonably ascribed as positively charged when paramagnetic. These results provide the first experimental evidence for (1) the charge state of the Eδ' center, and (2) that the D center is an electrically active point defect in these materials.

Single crystal EPR and optical studies of paramagnetic ions doped zinc potassium phosphate hexahydrate—Part I: Cu(II)—a case of orthorhombic symmetry

NASA Astrophysics Data System (ADS)

Sambasiva Rao, P.; Rajendiran, T. M.; Venkatesan, R.; Madhu, N.; Chandrasekhar, A. V.; Reddy, B. J.; Reddy, Y. P.; Ravikumar, R. V. S. S. N.

2001-12-01

Single crystal electron paramagnetic resonance (EPR) studies on Cu(II) doped zinc potassium phosphate hexahydrate (ZPPH) were carried out at room temperature. The angular variation spectra in the three orthogonal planes indicate that the paramagnetic impurity has entered the lattice substitutionally in place of Zn(II) and the spin Hamiltonian parameters calculated from these spectra are gxx=2.188, gyy=2.032, gzz=2.373, Axx=50 G, Ayy=65.0 G and Azz=80 G. The g and A tensors were coincident and these values matched fairly well with the values obtained from powder spectrum. The bonding parameters have also been calculated.

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

NASA Astrophysics Data System (ADS)

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.

Bulk magnetic properties of La1-xCaxMnO3 (0⩽x⩽0.14) : Signatures of local ferromagnetic order

NASA Astrophysics Data System (ADS)

Terashita, Hirotoshi; Neumeier, J. J.

2005-04-01

We report the bulk magnetic properties of hole-doped La1-xCaxMnO3 (0⩽x⩽0.14) in the paramagnetic and antiferromagnetic regions; the Mn4+ concentration was determined with chemical analysis. Significant enhancement of the effective paramagnetic moment illustrates the existence of ferromagnetic clusters (polarons). The data reveal a distinct crossover in the paramagnetic region, signifying competition between ferromagnetic clusters and antiferromagnetic correlations associated with the low-temperature magnetically ordered state. The results suggest similarity in the magnetic properties at low temperatures between hole-doped LaMnO3 and electron-doped CaMnO3 .

Ionic liquids and solids with paramagnetic anions.

PubMed

Krieger, Brenna M; Lee, Heather Y; Emge, Thomas J; Wishart, James F; Castner, Edward W

2010-08-21

Four paramagnetic ionic compounds have been prepared and their magnetic, structural and thermal properties have been investigated. The four compounds are methylbutylpyrrolidinium tetrachloroferrate(III) ([Pyrr(14)](+)/[FeCl(4)](-)), methyltributylammonium tetrachloroferrate(III) ([N(1444)](+)/[FeCl(4)](-)), butylmethylimidazolium tetrachloroferrate(III) ([bmim](+)/[FeCl(4)](-)) and tetrabutylammonium bromotrichloroferrate(III) ([N(4444)](+)/[FeBrCl(3)](-)). Temperature-dependent studies of their magnetic behaviors show that all four compounds are paramagnetic at ambient temperatures. Glass transitions are observed for only two of the four compounds, [Pyrr(14)](+)/[FeCl(4)](-) and [bmim](+)/[FeCl(4)](-). Crystal structures for [Pyrr(14)](+)/[FeCl(4)](-) and [N(1444)](+)/[FeCl(4)](-) are compared with the previously reported [N(4444)](+)/[FeBrCl(3)](-).

Introduction to Spin Label Electron Paramagnetic Resonance Spectroscopy of Proteins

ERIC Educational Resources Information Center

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…

Method of manufacturing a high temperature superconductor with improved transport properties

DOEpatents

Balachandran, Uthamalingam; Siegel, Richard W.; Askew, Thomas R.

2001-01-01

A method of preparing a high temperature superconductor. A method of preparing a superconductor includes providing a powdered high temperature superconductor and a nanophase paramagnetic material. These components are combined to form a solid compacted mass with the paramagnetic material disposed on the grain boundaries of the polycrystaline high temperature superconductor.

THE INTERACTION OF PARAMAGNETIC RELAXATION REAGENTS WITH INTRA- AND INTERMOLECULAR HYDROGEN BONDED PHENOLS

EPA Science Inventory

Intermolecular electron-nuclear 13-C relaxation times (T(1)sup e's) from solutions containing the paramagnetic relaxation reagent (PARR), Cr(acac)3, used in conjunction with 13-C T(1)'s in diamagnetic solutions (intramolecular 13-C - (1)H dipolar T(1)'s) provide a significant inc...

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

NASA Astrophysics Data System (ADS)

Nakagawa, Kouichi; Epel, Boris

2014-10-01

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

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

PubMed

Nakagawa, Kouichi; Epel, Boris

2014-10-15

In this study, noninvasive 9GHz electron paramagnetic resonance (EPR)-imaging and continuous wave (CW) EPR were used to investigate the locations of paramagnetic species in black pepper seeds without further irradiation. First, lithium phthalocyanine (LiPC) phantom was used to examine 9GHz EPR imaging capabilities. The 9GHz EPR-imager easily resolved the LiPC samples at a distance of ∼2mm. Then, commercially available black pepper seeds were measured. We observed signatures from three different radical species, which were assigned to stable organic radicals, Fe(3+), and Mn(2+) complexes. In addition, no EPR spectral change in the seed was observed after it was submerged in distilled H2O for 1h. The EPR and spectral-spatial EPR imaging results suggested that the three paramagnetic species were mostly located at the seed surface. Fewer radicals were found inside the seed. We demonstrated that the CW EPR and 9GHz EPR imaging were useful for the determination of the spatial distribution of paramagnetic species in various seeds. Copyright © 2014 Elsevier B.V. All rights reserved.

EPR investigation of electronic excitations in rare gas solids (Review Article)

NASA Astrophysics Data System (ADS)

Zhitnikov, R. A.; Dmitriev, Yu. A.

1998-10-01

The methods are described for producing unstable paramagnetic excited states in rare gas cryocrystals Ne, Ar, Kr, and Xe through the trapping, in the cryocrystals growing from the gas phase, the products of the gas discharge taking place in the same or other rare gas. The paper presents a technique and results of an observation and investigation of excited states in rare gas cryocrystals with electron paramagnetic resonance (EPR). The discovered unstable paramagnetic centers are interpreted as being local metastable excited np5(n+1)s atomic-type states in rare gas cryocrystals which are subject to the action of the anisotropic electric field resulted from the crystal surroundings distorted by the center. An account is given of the mechanisms for formation of observed paramagnetic excited states in cryocrystals which arise owing to the excitation energy of the metastable 3P2 atoms of Ne, Ar, Kr, Xe and He 23S1 and 21S0 atoms that form in the discharge in an appropriate gas and trap in the growing cryocrystal.

High-frequency EPR of surface impurities on nanodiamond

NASA Astrophysics Data System (ADS)

Peng, Zaili; Stepanov, Viktor; Takahashi, Susumu

Diamond is a fascinating material, hosting nitrogen-vacancy (NV) defect centers with unique magnetic and optical properties. There have been many reports that suggest the existence of paramagnetic impurities near surface of various kinds of diamonds. Electron paramagnetic resonance (EPR) investigation of mechanically crushed nanodiamonds (NDs) as well as detonation NDs revealed g 2 like signals that are attributed to structural defects and dangling bonds near the diamond surface. In this presentation, we investigate paramagnetic impurities in various sizes of NDs using high-frequency (HF) continuous wave (cw) and pulsed EPR spectroscopy. Strong size dependence on the linewidth of HF cw EPR spectra reveals the existence of paramagnetic impurities in the vicinity of the diamond surface. We also study the size dependence of the spin-lattice and spin-spin relaxation times (T1 and T2) of single substitutional nitrogen defects in NDs Significant deviations from the temperature dependence of the phonon-assisted T1 process were observed in the ND samples, and were attributed to the contribution from the surface impurities. This work was supported by the Searle Scholars Program and the National Science Foundation (DMR-1508661 and CHE-1611134).

Equation of state of paramagnetic CrN from ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Steneteg, Peter; Alling, Björn; Abrikosov, Igor A.

2012-04-01

The equation of state for chromium nitride has been debated in the literature in connection with a proposed collapse of its bulk modulus following the pressure-induced transition from the paramagnetic cubic phase to the antiferromagnetic orthorhombic phase [F. Rivadulla , Nature Mater.1476-112210.1038/nmat2549 8, 947 (2009); B. Alling , Nature Mater.1476-112210.1038/nmat2722 9, 283 (2010)]. Experimentally the measurements are complicated due to the low transition pressure, while theoretically the simulation of magnetic disorder represents a major challenge. Here a first-principles method is suggested for the calculation of thermodynamic properties of magnetic materials in their high-temperature paramagnetic phase. It is based on ab initio molecular dynamics and simultaneous redistributions of the disordered but finite local magnetic moments. We apply this disordered local moments molecular dynamics method to the case of CrN and simulate its equation of state. In particular the debated bulk modulus is calculated in the paramagnetic cubic phase and is shown to be very similar to that of the antiferromagnetic orthorhombic CrN phase for all considered temperatures.

Magnetic anisotropy of some phyllosilicates

NASA Astrophysics Data System (ADS)

Borradaile, Graham J.; Werner, Tomasz

1994-08-01

Magnetic susceptibility, anisotropy of susceptibility and hysteresis of single microcrystals of chlorite, biotite, phlogopite, muscovite, zinnwaldite and fuchsite were measured in low and high magnetic fields with an alternating gradient force magnetometer (Micromag). Their properties are sufficient to account for the low field susceptibility (AMS) of most micaceous rocks. Nearly all samples show some ferromagnetic contribution at low fields due to inclusions of pseudosingle domain and multidomain magnetite. The paramagnetic contribution isolated at high fields usually exceeds the ferromagnetic contribution. The paramagnetic susceptibility is intrinsic to the silicate lattice and agrees with values predicted from chemical composition within the limits of error. The minimum susceptibility is nearly parallel to c, another axis is parallel to b and the third susceptibility (usually the maximum) is close to a. The paramagnetic susceptibility has a disk-shaped magnitude ellipsoid with strong anisotropy ( P' < 2). The ferromagnetic contributions at low fields have more variably shaped ellipsoids with greater eccentricity ( P' < 5). The silicate lattice does not constrain their orientation. Our technique cannot determine the principal axes of the ferromagnetic component. However, its principal values usually correspond with the paramagnetic principal susceptibilities in order of magnitude. Thus, the combined paramagnetic-ferromagnetic anisotropy recognised in routine studies of AMS should faithfully represent the petrofabric of most micaceous rocks. Nevertheless, nearly 10% of our samples have incompatible anisotropy ellipsoids for the silicate host and magnetite inclusions. These yield a net inverse AMS that does not correctly represent the orientation of the silicate lattice. Therefore, some caution is necessary in petrofabric-AMS studies of micaceous rocks.

Diffusional mechanisms augment the fluorine magnetic resonance relaxation in paramagnetic perfluorocarbon nanoparticles that provides a “relaxation switch” for detecting cellular endosomal activation

PubMed Central

Hu, Lingzhi; Zhang, Lei; Chen, Junjie; Lanza, Gregory M.; Wickline, Samuel A.

2011-01-01

Purpose To develop a physical model for the 19F relaxation enhancement in paramagnetic perfluorocarbon nanoparticles (PFC NP) and demonstrate its application in monitoring cellular endosomal functionality through a “19F relaxation switch” phenomenon. Materials and Methods An explicit expression for 19F longitudinal relaxation enhancement was derived analytically. Monte-Carlo simulation was performed to confirm the gadolinium induced magnetic field inhomogenity inside the PFC NP. Field dependent T1 measurements for three types of paramagnetic PFC NPs were carried out to validate the theoretical prediction. Based on the physical model, 19F and 1H relaxation properties of macrophage internalized paramagnetic PFC NPs were measured to evaluate the intracellular process of NPs by macrophages in vitro. Results The theoretical description was confirmed experimentally by field-dependent T1 measurements. The shortening of 19F T1 was found to be attributed to the Brownian motion of PFC molecules inside the NP in conjunction with their ability to permeate into the lipid surfactant coating. A dramatic change of 19F T1 was observed upon endocytosis, revealing the transition from intact bound PFC NP to processed constituents. Conclusion The proposed first-principle analysis of 19F spins in paramagnetic PFC NP relates their structural parameters to the special MR relaxation features. The demonstrated “19F relaxation switch” phenomenon is potentially useful for monitoring cellular endosomal functionality. PMID:21761488

Dynamic nuclear polarization of (1)H, (13)C, and (59)Co in a tris(ethylenediamine)cobalt(III) crystalline lattice doped with Cr(III).

PubMed

Corzilius, Björn; Michaelis, Vladimir K; Penzel, Susanne A; Ravera, Enrico; Smith, Albert A; Luchinat, Claudio; Griffin, Robert G

2014-08-20

The study of inorganic crystalline materials by solid-state NMR spectroscopy is often complicated by the low sensitivity of heavy nuclei. However, these materials often contain or can be prepared with paramagnetic dopants without significantly affecting the structure of the crystalline host. Dynamic nuclear polarization (DNP) is generally capable of enhancing NMR signals by transferring the magnetization of unpaired electrons to the nuclei. Therefore, the NMR sensitivity in these paramagnetically doped crystals might be increased by DNP. In this paper we demonstrate the possibility of efficient DNP transfer in polycrystalline samples of [Co(en)3Cl3]2·NaCl·6H2O (en = ethylenediamine, C2H8N2) doped with Cr(III) in varying concentrations between 0.1 and 3 mol %. We demonstrate that (1)H, (13)C, and (59)Co can be polarized by irradiation of Cr(III) with 140 GHz microwaves at a magnetic field of 5 T. We further explain our findings on the basis of electron paramagnetic resonance spectroscopy of the Cr(III) site and analysis of its temperature-dependent zero-field splitting, as well as the dependence of the DNP enhancement factor on the external magnetic field and microwave power. This first demonstration of DNP transfer from one paramagnetic metal ion to its diamagnetic host metal ion will pave the way for future applications of DNP in paramagnetically doped materials or metalloproteins.

Dynamic Nuclear Polarization of 1H, 13C, and 59Co in a Tris(ethylenediamine)cobalt(III) Crystalline Lattice Doped with Cr(III)

PubMed Central

2015-01-01

The study of inorganic crystalline materials by solid-state NMR spectroscopy is often complicated by the low sensitivity of heavy nuclei. However, these materials often contain or can be prepared with paramagnetic dopants without significantly affecting the structure of the crystalline host. Dynamic nuclear polarization (DNP) is generally capable of enhancing NMR signals by transferring the magnetization of unpaired electrons to the nuclei. Therefore, the NMR sensitivity in these paramagnetically doped crystals might be increased by DNP. In this paper we demonstrate the possibility of efficient DNP transfer in polycrystalline samples of [Co(en)3Cl3]2·NaCl·6H2O (en = ethylenediamine, C2H8N2) doped with Cr(III) in varying concentrations between 0.1 and 3 mol %. We demonstrate that 1H, 13C, and 59Co can be polarized by irradiation of Cr(III) with 140 GHz microwaves at a magnetic field of 5 T. We further explain our findings on the basis of electron paramagnetic resonance spectroscopy of the Cr(III) site and analysis of its temperature-dependent zero-field splitting, as well as the dependence of the DNP enhancement factor on the external magnetic field and microwave power. This first demonstration of DNP transfer from one paramagnetic metal ion to its diamagnetic host metal ion will pave the way for future applications of DNP in paramagnetically doped materials or metalloproteins. PMID:25069794

Models And Experiments Of Laminar Diffusion Flames In Non-Uniform Magnetic Fields

NASA Technical Reports Server (NTRS)

Baker, J.; Varagani, R.; Saito, K.

2003-01-01

Non-uniform magnetic fields affect laminar diffusion flames as a result of the paramagnetic and diamagnetic properties of the products and reactants. Paramagnetism is the weak attraction to a magnetic field a material exhibits as a result of permanent magnetic dipole moments in the atoms of the material. Diamagnetism is the weak repulsion to a magnetic field exhibited by a material due to the lack of permanent magnetic dipole moments in the atoms of a material. The forces associated with paramagnetic and diamagnetism are several orders of magnitude less than the forces associated with the more familiar ferromagnetism. A typical example of a paramagnetic gas is oxygen while hydrocarbon fuels and products of combustion are almost always diamagnetic. The fact that magnets can affect flame behavior has been recognized for more than one hundred years. Early speculation was that such behavior was due to the magnetic interaction with the ionized gases associated with a flame. Using a scaling analysis, it was later shown that for laminar diffusion flames the magnetic field/ionized gas interaction was insignificant to the paramagnetic and diamagnetic influences. In this effort, the focus has been on examining laminar diffusion slot flames in the presence of non-uniform upward decreasing magnetic fields produced using permanent magnets. The principal reason for choosing slot flames was mathematical models of such flames show an explicit dependence on gravitational body forces, in the buoyancy-controlled regime, and an applied magnetic field would also impose a body force. In addition, the behavior of such flames was more easily visualized while maintaining the symmetry of the two-dimensional problem whereas it would have been impossible to obtain a symmetric magnetic field around a circular flame and still visually record the flame height and shape along the burner axis. The motivation for choosing permanent magnets to produce the magnetic fields was the assumption that space-related technologies based on the knowledge gained during this investigation would more likely involve permanent magnets as opposed to electromagnets. While no analysis has been done here to quantify the impact that an electric field, associated with an electromagnetic, would have relative to the paramagnetic and diamagnetic interactions, by using permanent magnets this potential effect was completely eliminated and thus paramagnetic and diamagnetic effects were isolated.

Hyperfine Structure and Exchange Narrowing of Paramagnetic Resonance

DOE R&D Accomplishments Database

Townes, C. H.; Turkevich, J.

1950-01-01

Discussion of electronic paramagnetic resonance for the free radical ?, ?-diphenyl ?-picryl hydrazyl as observed by its effect on the transmission of microwave through a TE{sub 01} cavity with a small amount of the free radical placed approximately on the axis of the cavity; the half-width of this resonance at half maximum absorption was 1.45 oersteds.

Electron paramagnetic resonance and FT-IR spectroscopic studies of glycine anhydride and betaine hydrochloride

NASA Astrophysics Data System (ADS)

Halim Başkan, M.; Kartal, Zeki; Aydın, Murat

2015-12-01

Gamma irradiated powders of glycine anhydride and betaine hydrochloride have been investigated at room temperature by electron paramagnetic resonance (EPR). In these compounds, the observed paramagnetic species were attributed to the R1 and R2 radicals, respectively. It was determined that the free electron interacted with environmental protons and 14N nucleus in both radicals. The EPR spectra of gamma irradiated powder samples remained unchanged at room temperature for two weeks after irradiation. Also, the Fourier Transform Infrared (FT-IR), FT-Raman and thermal analyses of both compounds were investigated. The functional groups in the molecular structures of glycine anhydride and betaine hydrochloride were identified by vibrational spectroscopies (FT-IR and FT-Raman).

Single crystal EPR and optical studies of paramagnetic ions doped zinc potassium phosphate hexahydrate--part I: Cu(II)--a case of orthorhombic symmetry.

PubMed

Sambasiva Rao, P; Rajendiran, T M; Venkatesan, R; Madhu, N; Chandrasekhar, A V; Reddy, B J; Reddy, Y P; Ravikumar, R V

2001-12-01

Single crystal electron paramagnetic resonance (EPR) studies on Cu(II) doped zinc potassium phosphate hexahydrate (ZPPH) were carried out at room temperature. The angular variation spectra in the three orthogonal planes indicate that the paramagnetic impurity has entered the lattice substitutionally in place of Zn(II) and the spin Hamiltonian parameters calculated from these spectra are g(xx) = 2.188, g(yy) = 2.032, g(zz) = 2.373, Axx = 50 G, Ayy = 65.0 G and Azz = 80 G. The g and A tensors were coincident and these values matched fairly well with the values obtained from powder spectrum. The bonding parameters have also been calculated.

Magnetic Ordering in Gold Nanoclusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agrachev, Mikhail; Antonello, Sabrina; Dainese, Tiziano

Here, several research groups have observed magnetism in monolayer-protected gold-cluster samples, but the results were often contradictory and thus a clear understanding of this phenomenon is still missing. We used Au 25(SCH 2CH 2Ph) 18 0, which is a paramagnetic cluster that can be prepared with atomic precision and whose structure is known precisely. Previous magnetometry studies only detected paramagnetism. We used samples representing a range of crystallographic orders and studied their magnetic behaviors by electron paramagnetic resonance (EPR). As a film, Au 25(SCH 2CH 2Ph) 18 0 displays paramagnetic behavior but, at low temperature, ferromagnetic interactions are detectable. Onemore » or few single crystals undergo physical reorientation with the applied field and display ferromagnetism, as detected through hysteresis experiments. A large collection of microcrystals is magnetic even at room temperature and shows distinct paramagnetic, superparamagnetic, and ferromagnetic behaviors. Simulation of the EPR spectra shows that both spin-orbit coupling and crystal distortion are important to determine the observed magnetic behaviors. DFT calculations carried out on single cluster and periodic models predict values of spin6orbit coupling and crystal6splitting effects in agreement with the EPR derived quantities. Magnetism in gold nanoclusters is thus demonstrated to be the outcome of a very delicate balance of factors. To obtain reproducible results, the samples must be (i) controlled for composition and thus be monodispersed with atomic precision, (ii) of known charge state, and (iii) well defined also in terms of crystallinity and experimental conditions. This study highlights the efficacy of EPR spectroscopy to provide a molecular understanding of these phenomena« less

Magnetic Ordering in Gold Nanoclusters

DOE PAGES

Agrachev, Mikhail; Antonello, Sabrina; Dainese, Tiziano; ...

2017-06-12

Here, several research groups have observed magnetism in monolayer-protected gold-cluster samples, but the results were often contradictory and thus a clear understanding of this phenomenon is still missing. We used Au 25(SCH 2CH 2Ph) 18 0, which is a paramagnetic cluster that can be prepared with atomic precision and whose structure is known precisely. Previous magnetometry studies only detected paramagnetism. We used samples representing a range of crystallographic orders and studied their magnetic behaviors by electron paramagnetic resonance (EPR). As a film, Au 25(SCH 2CH 2Ph) 18 0 displays paramagnetic behavior but, at low temperature, ferromagnetic interactions are detectable. Onemore » or few single crystals undergo physical reorientation with the applied field and display ferromagnetism, as detected through hysteresis experiments. A large collection of microcrystals is magnetic even at room temperature and shows distinct paramagnetic, superparamagnetic, and ferromagnetic behaviors. Simulation of the EPR spectra shows that both spin-orbit coupling and crystal distortion are important to determine the observed magnetic behaviors. DFT calculations carried out on single cluster and periodic models predict values of spin6orbit coupling and crystal6splitting effects in agreement with the EPR derived quantities. Magnetism in gold nanoclusters is thus demonstrated to be the outcome of a very delicate balance of factors. To obtain reproducible results, the samples must be (i) controlled for composition and thus be monodispersed with atomic precision, (ii) of known charge state, and (iii) well defined also in terms of crystallinity and experimental conditions. This study highlights the efficacy of EPR spectroscopy to provide a molecular understanding of these phenomena« less

Uniform magnetic targeting of magnetic particles attracted by a new ferromagnetic biological patch.

PubMed

Pei, Ning; Cai, Lanlan; Yang, Kai; Ma, Jiaqi; Gong, Yongyong; Wang, Qixin; Huang, Zheyong

2018-02-01

A new non-toxic ferromagnetic biological patch (MBP) was designed in this paper. The MBP consisted of two external layers that were made of transparent silicone, and an internal layer that was made of a mixture of pure iron powder and silicon rubber. Finite-element analysis showed that the local inhomogeneous magnetic field (MF) around the MBP was generated when MBP was placed in a uniform MF. The local MF near the MBP varied with the uniform MF and shape of the MBP. Therefore, not only could the accumulation of paramagnetic particles be adjusted by controlling the strength of the uniform MF, but also the distribution of the paramagnetic particles could be improved with the different shape of the MBP. The relationship of the accumulation of paramagnetic particles or cells, magnetic flux density, and fluid velocity were studied through in vitro experiments and theoretical considerations. The accumulation of paramagnetic particles first increased with increment in the magnetic flux density of the uniform MF. But when the magnetic flux density of the uniform MF exceeded a specific value, the magnetic flux density of the MBP reached saturation, causing the accumulation of paramagnetic particles to fall. In addition, the adsorption morphology of magnetic particles or cells could be improved and the uniform distribution of magnetic particles could be achieved by changing the shape of the MBP. Also, MBP may be used as a new implant to attract magnetic drug carrier particles in magnetic drug targeting. Bioelectromagnetics. 39:98-107, 2018. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Preparation of a Cobalt(II) Cage: An Undergraduate Laboratory Experiment That Produces a ParaSHIFT Agent for Magnetic Resonance Spectroscopy

ERIC Educational Resources Information Center

Burns, Patrick J.; Tsitovich, Pavel B.; Morrow, Janet R.

2016-01-01

Laboratory experiments that demonstrate the effect of paramagnetic complexes on chemical shifts and relaxation times of protons are a useful way to introduce magnetic resonance spectroscopy (MRS) probes or magnetic resonance imaging (MRI) contrast agents. In this undergraduate inorganic chemistry experiment, a paramagnetic Co(II) cage complex is…

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

PubMed

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.

Paramagnetic or diamagnetic persistent currents? A topological point of view

NASA Astrophysics Data System (ADS)

Waintal, Xavier

2009-03-01

A persistent current flows at low temperatures in small conducting rings when they are threaded by a magnetic flux. I will discuss the sign of this persistent current (diamagnetic or paramagnetic response) in the special case of N electrons in a one dimensional ring [1]. One dimension is very special in the sense that the sign of the persistent current is entirely controlled by the topology of the system. I will establish lower bounds for the free energy in the presence of arbitrary electron-electron interactions and external potentials. Those bounds are the counterparts of upper bounds derived by Leggett using another topological argument. Rings with odd (even) numbers of polarized electrons are always diamagnetic (paramagnetic). The situation is more interesting with unpolarized electrons where Leggett upper bound breaks down: rings with N=4n exhibit either paramagnetic behavior or a superconductor-like current-phase relation. The topological argument provides a rigorous justification for the phenomenological Huckel rule which states that cyclic molecules with 4n + 2 electrons like benzene are aromatic while those with 4n electrons are not. [4pt] [1] Xavier Waintal, Geneviève Fleury, Kyryl Kazymyrenko, Manuel Houzet, Peter Schmitteckert, and Dietmar Weinmann Phys. Rev. Lett.101, 106804 (2008).

Two-stage magnetic refrigerator for astronomical applications with reservoir temperatures above 4 K

NASA Astrophysics Data System (ADS)

Hagmann, C.; Richards, P. L.

We propose a novel adiabatic demagnetization refrigerator (ADR) to produce temperatures as low as 100 mK starting from a high temperature reservoir between 4 and 8 K. The high temperature reservoir for the ADR can be provided by a mechanical cooler or an unpumped liquid helium bath. This refrigerator can be used to cool bolometric infrared detectors for low background astronomy from mountain tops, balloons or satellites, as well as to cool cryogenic X-ray detectors. The two-stage ADR consists of a single magnet with a paramagnetic chromic caesium alum (CCA) salt pill to produce the low temperature and paramagnetic gadolinium gallium garnet (GGG) as the first stage to intercept heat from the high temperature reservoir. Thermal contact between the paramagnets and the reservoir during magnetization is made with a mechanical heat switch. The ADR is suspended with Kevlar cords under tension for high mechanical stiffness and low parasitic heat leak. In a single cycle, the ADR maintains a temperature of 100 mK for 10-100 h. This time depends strongly on the magnetic field and reservoir temperature but not on the volume of the paramagnetic material as long as the heat leak is dominated by the suspension.

Rapid detection of Bacillus anthracis spores using a super-paramagnetic lateral-flow immunological detection system.

PubMed

Wang, Dian-Bing; Tian, Bo; Zhang, Zhi-Ping; Deng, Jiao-Yu; Cui, Zong-Qiang; Yang, Rui-Fu; Wang, Xu-Ying; Wei, Hong-Ping; Zhang, Xian-En

2013-04-15

There is an urgent need for convenient, sensitive, and specific methods to detect the spores of Bacillus anthracis, the causative agent of anthrax, because of the bioterrorism threat posed by this bacterium. In this study, we firstly develop a super-paramagnetic lateral-flow immunological detection system for B. anthracis spores. This system involves the use of a portable magnetic assay reader, super-paramagnetic iron oxide particles, lateral-flow strips and two different monoclonal antibodies directed against B. anthracis spores. This detection system specifically recognises as few as 400 pure B. anthracis spores in 30 min. This system has a linear range of 4×10³-10⁶ CFU ml⁻¹ and reproducible detection limits of 200 spores mg⁻¹ milk powder and 130 spores mg⁻¹ soil for simulated samples. In addition, this approach shows no obvious cross-reaction with other related Bacillus spores, even at high concentrations, and has no significant dependence on the duration of the storage of the immunological strips. Therefore, this super-paramagnetic lateral-flow immunological detection system is a promising tool for the rapid and sensitive detection of Bacillus anthracis spores under field conditions. Copyright © 2012 Elsevier B.V. All rights reserved.

Effects of iodinated contrast agent, xylocaine and gadolinium concentration on the signal emitted in magnetic resonance arthrography: a samples study*

PubMed Central

da Silva, Yvana Lopes Pinheiro; Costa, Rita Zanlorensi Visneck; Pinho, Kátia Elisa Prus; Ferreira, Ricardo Rabello; Schuindt, Sueliton Miyamoto

2015-01-01

Objective To investigate the effects of dilution of paramagnetic contrast agent with iodinated contrast and xylocaine on the signal intensity during magnetic resonance arthrography, and to improve the paramagnetic contrast agent concentration utilized in this imaging modality. Materials and Methods Samples specially prepared for the study with three different concentrations of paramagnetic contrast agent diluted in saline, iodinated contrast agent and xylocaine were imaged with fast spin echo T1-weighted sequences with fat saturation. The samples were placed into flasks and graphical analysis of the signal intensity was performed as a function of the paramagnetic contrast concentration. Results As compared with samples of equal concentrations diluted only with saline, the authors have observed an average signal intensity decrease of 20.67% for iodinated contrast agent, and of 28.34% for xylocaine. However, the increased gadolinium concentration in the samples caused decrease in signal intensity with all the dilutions. Conclusion Minimizing the use of iodinated contrast media and xylocaine and/or the use of a gadolinium concentration of 2.5 mmol/L diluted in saline will improve the sensitivity of magnetic resonance arthrography. PMID:25987746

On magnetic structure of CuFe 2Ge 2: Constrains from the 57Fe Mössbauer spectroscopy

DOE PAGES

Bud’ko, Sergey L.; Jo, Na Hyun; Downing, Savannah S.; ...

2017-09-20

57Fe Mössbauer spectroscopy measurements were performed on a powdered CuFe 2Ge 2 sample that orders antiferromagnetically at ~175 K. Whereas a paramagnetic doublet was observed above the Néel temperature, a superposition of paramagnetic doublet and magnetic sextet (in approximately 0.5:0.5 ratio) was observed in the magnetically ordered state, suggesting a magnetic structure similar to a double-Q spin density wave with half of the Fe paramagnetic and another half bearing static moment of ~0.5–1μ B. Lastly, these results call for a re-evaluation of the recent neutron scattering data and band structure calculations, as well as for deeper examination of details ofmore » sample preparation techniques.« less

Speeding up NMR by in Situ Photo-Induced Reversible Acceleration of T1 -Relaxation (PIRAT).

PubMed

Stadler, Eduard; Dommaschk, Marcel; Frühwirt, Philipp; Herges, Rainer; Gescheidt, Georg

2018-03-05

Increasing the signal-to-noise ratio is one of the major goals in the field of NMR spectroscopy. In this proof of concept, we accelerate relaxation during an NMR pulse sequence using photo-generated paramagnetic states of an inert sensitizer. For the follow-up acquisition period, the system is converted to a diamagnetic state. The reversibility of the photo-induced switching allows extensive repetition required for multidimensional NMR. We thus eliminate the obstacle of line-broadening by the presence of paramagnetic species. In this contribution, we show how cycling of synchronized light/pulse sequences leads to an enhanced efficiency in multidimensional NMR. Our approach utilizes a molecular spin switch reversibly altering between a paramagnetic and diamagnetic state. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reciprocating magnetic refrigerator employing tandem porous matrices within a reciprocating displacer

NASA Technical Reports Server (NTRS)

Johnson, D. L. (Inventor)

1985-01-01

Disclosed is a method and apparatus for a magnetic refrigeration system. A continuously reciprocating displacer houses at least a pair of paramagnetic substances each of which is alternately driven into and out of a magnetic field. Two separate bidirectional pumping systems flow helium gas through the displacer and through both paramagnetic substances to create heat exchange conditions at two separate temperature extremes.

Mechanism for the occurrence of paramagnetic planes within magnetically ordered cerium systems

NASA Astrophysics Data System (ADS)

Kioussis, Nicholas; Cooper, Bernard R.; Banerjea, Amitava

1988-11-01

Hybridization of moderately delocalized f electrons with band electrons gives rise to a highly anisotropic two-ion interaction. Previously it has been shown that such an interaction explains the experimentally observed unusual magnetic behavior of CeBi, yielding a phase transition from a higher-temperature type-I (↑↓) to a lower-temperature type-IA (↑↑↓↓) antiferromagnetic structure. If the hybridization-mediated interaction is the key to understanding the magnetic behavior of such moderately delocalized f-electron systems, we should expect to be able to understand on this basis the even more unusual magnetic behavior of CeSb. In CeSb, there is a sequence of magnetic structures in which the higher-temperature structures involve a periodic stacking of paramagnetic \\{001\\} planes alternating with magnetically ordered \\{001\\} planes of [001]-moment alignment. In this paper we show that such a coexistence of paramagnetic and magnetically ordered Ce3+ sites can be understood on the basis of the hybridization-mediated interionic interaction when there are cubic crystal-field (CF) interactions of comparable strength. The tendency to form paramagnetic planes is found to increase with increasing CF strength (Γ7 ground state); and the stability of the up-down paramagnetic plane arrangement at high temperatures is shown to arise from the reconciliation of the magnetic ordering with the CF interactions. We also find that for a certain range of parameters a different novel situation occurs, with a fully nonmagnetic (singlet) ground state for the Ce3+ ion. This singlet state is not Kondo-like, and occurs in such a way that the system would be expected to fluctuate between two differently polarized states, one of which is the singlet state.

Paramagnet induced signal quenching in MAS-DNP experiments in frozen homogeneous solutions

NASA Astrophysics Data System (ADS)

Corzilius, Björn; Andreas, Loren B.; Smith, Albert A.; Ni, Qing Zhe; Griffin, Robert G.

2014-03-01

The effects of nuclear signal quenching induced by the presence of a paramagnetic polarizing agent are documented for conditions used in magic angle spinning (MAS)-dynamic nuclear polarization (DNP) experiments on homogeneous solutions. In particular, we present a detailed analysis of three time constants: (1) the longitudinal build-up time constant TB for 1H; (2) the rotating frame relaxation time constant T1ρ for 1H and 13C and (3) T2 of 13C, the transverse relaxation time constant in the laboratory frame. These relaxation times were measured during microwave irradiation at a magnetic field of 5 T (140 GHz) as a function of the concentration of four polarizing agents: TOTAPOL, 4-amino-TEMPO, trityl (OX063), and Gd-DOTA and are compared to those obtained for a sample lacking paramagnetic doping. We also report the EPR relaxation time constants T1S and T2S, the DNP enhancements, ε, and the parameter E, defined below, which measures the sensitivity enhancement for the four polarizing agents as a function of the electron concentration. We observe substantial intensity losses (paramagnetic quenching) with all of the polarizing agents due to broadening mechanisms and cross relaxation during MAS. In particular, the monoradical trityl and biradical TOTAPOL induce ∼40% and 50% loss of signal intensity. In contrast there is little suppression of signal intensity in static samples containing these paramagnetic species. Despite the losses due to quenching, we find that all of the polarizing agents provide substantial gains in signal intensity with DNP, and in particular that the net enhancement is optimal for biradicals that operate with the cross effect. We discuss the possibility that much of this polarization loss can be regained with the development of instrumentation and methods to perform electron decoupling.

Effect of body temperature on the pharmacokinetics of a triarylmethyl-type paramagnetic contrast agent used in EPR oximetry.

PubMed

Matsumoto, Ken-Ichiro; Hyodo, Fuminori; Mitchell, James B; Krishna, Murali C

2018-02-01

Pharmacokinetics of the tri[8-carboxy-2,2,6,6-tetrakis(2-hydroxymethyl)benzo[1,2-d:4,5-d']bis(1,3)dithio-4-yl]methyl radical (Oxo63) after a single bolus and/or continuous intravenous infusion was investigated in tumor-bearing C3H mice with or without body temperature control while under anesthesia. The in vivo time course of Oxo63 in blood was measured using X-band electron paramagnetic resonance spectroscopy. Distribution of Oxo63 in normal muscle and tumor tissues was obtained using a surface coil resonator and a 700-MHz electron paramagnetic resonance spectrometer. The whole-body distribution of Oxo63 was obtained by 300-MHz continuous-wave electron paramagnetic resonance imaging. The high-resolution 300-MHz time-domain electron paramagnetic resonance imaging was also carried out to probe the distribution of Oxo63. Urination of mice was retarded at low body temperature, causing the concentration of Oxo63 in blood to attain high levels. However, the concentration of Oxo63 in tumor tissue was lower with no control of body temperature than active body temperature control. The nonsystemized blood flow in the tumor tissues may pool Oxo63 at lower body temperature. Pharmacokinetics of the contrast agent were found to be significantly affected by body temperature of the experimental animal, and can influence the probe distribution and the image patterns. Magn Reson Med 79:1212-1218, 2018. © Published 2017. This article is a U.S. Government work and is in the public domain in the USA. © Published 2017. This article is a U.S. Government work and is in the public domain in the USA.

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.

PubMed

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.

Nitrogen-containing species in the structure of the synthesized nano-hydroxyapatite

NASA Astrophysics Data System (ADS)

Gafurov, M.; Biktagirov, T.; Yavkin, B.; Mamin, G.; Filippov, Y.; Klimashina, E.; Putlayev, V.; Orlinskii, S.

2014-04-01

Synthesized by the wet chemical precipitation technique, hydroxyapatite (HAp) powders with the sizes of the crystallites of 20-50 nm and 1 μm were analyzed by different analytical methods. By means of electron paramagnetic resonance (EPR) it is shown that during the synthesis process nitrate anions from the reagents (byproducts) could incorporate into the HAp structure. The relaxation times and EPR parameters of the stable axially symmetric NO{3/2-} paramagnetic centers detected after X-ray irradiation are measured with high accuracy. Analyses of high-frequency (95 GHz) electron-nuclear double resonance spectra from 1H and 31P nuclei and ab initio density functional theory calculations allow suggesting that the paramagnetic centers and nitrate anions as the precursors of NO{3/2-} radicals preferably occupy PO{4/3-} site in the HAp structure.

Electron paramagnetic resonance study of radiation-induced paramagnetic centers in succinic anhydride single crystal

NASA Astrophysics Data System (ADS)

Caliskan, Betul; Caliskan, Ali Cengiz; Er, Emine

2017-09-01

Succinic anhydride single crystals were exposed to 60Co-gamma irradiation at room temperature. The irradiated single crystals were investigated at 125 K by Electron Paramagnetic Resonance (EPR) Spectroscopy. The investigation of EPR spectra of irradiated single crystals of succinic anhydride showed the presence of two succinic anhydride anion radicals. The anion radicals observed in gamma-irradiated succinic anhydride single crystal were created by the scission of the carbon-oxygen double bond. The structure of EPR spectra demonstrated that the hyperfine splittings arise from the same radical species. The reduction of succinic anhydride was identified which is formed by the addition of an electron to oxygen of the Csbnd O bond. The g values, the hyperfine structure constants and direction cosines of the radiation damage centers observed in succinic anhydride single crystal were obtained.

Imaging single spin probes embedded in a conductive diamagnetic layer.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Messina, P.; Fradin, F.

2009-01-01

The detection of spin noise by means of scanning tunneling microscopy (STM) has recently been substantially improved by the work presented by Komeda and Manassen (Komeda, T.; Manassen, Y. Appl. Phys. Lett. 2008, 92, 212506). The application of this technique to molecular paramagnets requires the positioning and anchoring of paramagnetic molecules at surfaces. It also requires the possibility of tunneling high current densities into the STM-molecule-substrate tunneling junction. In this letter, we exploit the self-assembly of 1,10-phenantroline on the Au(111) surface to form a diamagnetic matrix that hosts individual molecules and dimers of diphenyl-2-picryl-hydrazyl (DPPH). STM measurements are used tomore » characterize the molecular layer. Electron spin resonance (ESR) measurements elucidate the role of thermal annealing in the preservation of the paramagnetic nature of the DPPH molecules.« less

On the Paramagnetic Inelastic Scattering of Neutrons due to Ions in the Anisotropic Crystalline Field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamada, Yasusada

1960-03-15

The paramagnetic inelastic scattering of neutrons due to ions of3d transition elements in the anisotropic crystalline field was considered. When the orbital momentum of the paramagnetic tons is not quenched, the spin states are no longer degenerate but split into discrete levels. The transition between these levels can occur by mugnetic dipole interaction of ions with neutrons. In the special case of FeCl/sub 2/, an antiferromagnetic crystal whose Neel temperature is 24 deg K, the calculation of the forward scuttering cross-sections of neutrons at various temperatures and wave lengths was carried out which showed that it is possible, under ordinarymore » conditions, to observe the inelastically scattered neutrons and hence to obtain information about the energy level scheme of the atomic spin in the cry stal. (auth)« less

Spin injection and spin transport in paramagnetic insulators

DOE PAGES

Okamoto, Satoshi

2016-02-22

We investigate the spin injection and the spin transport in paramagnetic insulators described by simple Heisenberg interactions using auxiliary particle methods. Some of these methods allow access to both paramagnetic states above magnetic transition temperatures and magnetic states at low temperatures. It is predicted that the spin injection at an interface with a normal metal is rather insensitive to temperatures above the magnetic transition temperature. On the other hand below the transition temperature, it decreases monotonically and disappears at zero temperature. We also analyze the bulk spin conductance. We show that the conductance becomes zero at zero temperature as predictedmore » by linear spin wave theory but increases with temperature and is maximized around the magnetic transition temperature. These findings suggest that the compromise between the two effects determines the optimal temperature for spintronics applications utilizing magnetic insulators.« less

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

NASA Astrophysics Data System (ADS)

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.

Acoustic paramagnetic logging tool

DOEpatents

Vail, III, William B.

1988-01-01

New methods and apparatus are disclosed which allow measurement of the presence of oil and water in geological formations using a new physical effect called the Acoustic Paramagnetic Logging Effect (APLE). The presence of petroleum in formation causes a slight increase in the earth's magnetic field in the vicinity of the reservoir. This is the phenomena of paramagnetism. Application of an acoustic source to a geological formation at the Larmor frequency of the nucleons present causes the paramagnetism of the formation to disappear. This results in a decrease in the earth3 s magnetic field in the vicinity of the oil bearing formation. Repetitively frequency sweeping the acoustic source through the Larmor frequency of the nucleons present (approx. 2 kHz) causes an amplitude modulation of the earth's magnetic field which is a consequence of the APLE. The amplitude modulation of the earth's magnetic field is measured with an induction coil gradiometer and provides a direct measure of the amount of oil and water in the excitation zone of the formation . The phase of the signal is used to infer the longitudinal relaxation times of the fluids present, which results in the ability in general to separate oil and water and to measure the viscosity of the oil present. Such measurements may be preformed in open boreholes and in cased well bores.

A two-stage magnetic refrigerator for astronomical applications with reservoir temperatures above 4 K

NASA Astrophysics Data System (ADS)

Hagmann, C.; Richards, P. L.

1993-02-01

We propose a novel adiabatic demagnetization refrigerator (ADR) to produce temperatures as low as 100 mK starting from a high temperature reservoir between 4 and 8 K. The high temperature reservoir for the ADR can be provided by a mechanical cooler or an unpumped liquid helium bath. This refrigerator can be used to cool bolometric infrared detectors for low background astronomy from mountain tops, balloons or satellites as well as to cool cryogenic x-ray detectors. The two-stage ADR consists of a single magnet with a paramagnetic chromic-cesium-alum (CCA) salt pill to produce the low temperature and paramagnetic gadolinium-gallium-garnet (GGG) as the first stage to intercept heat from the high temperature reservoir. Thermal contact between the paramagnets and the reservoir during magnetization is made with a mechanical heat switch. The ADR is suspended with Kevlar chords under tension for high mechanical stiffness and low parasitic heat leak. In a single cycle, the ADR maintains a temperature of 100 mK for 10 to 100 hours. This time depends strongly on the magnetic field and reservoir temperature but not on the volume of the paramagnetic material as long as the heat leak is dominated by the suspension.

Application of Electron Paramagnetic Resonance Spectroscopy to Comparative Examination of Different Groups of Free Radicals in Thermal Injuries Treated with Propolis and Silver Sulphadiazine

PubMed Central

Olczyk, Pawel; Ramos, Pawel; Bernas, Marcin; Komosinska-Vassev, Katarzyna; Stojko, Jerzy; Pilawa, Barbara

2013-01-01

Different groups of free radicals expressed in burn wounds treated with propolis and silver sulphadiazine were examined. The thermal effect forms major types of free radicals in a wound because of the breaking of chemical bonds. Free radicals, located in the heated skin, were tested after 21 days of treating by these two substances. The aim of this work was to find the method for determination of types and concentrations of different groups of free radicals in wound after high temperature impact during burning. The effects of the therapy by propolis and silver sulphadiazine on free radicals were studied. Since the chemical methods of free radicals studies are destructive, the usefulness of the electron paramagnetic resonance spectroscopy was tested in this work. The electron paramagnetic resonance spectra measured with the microwave power of 2.2 mW were numerically fitted by theoretical curves of Gaussian and Lorentzian shapes. The experimental electron paramagnetic resonance spectra of tissue samples are best fitted by the sum of one Gauss and two Lorentz lines. An innovatory numerical procedure of spectroscopic skin analysis was presented. It is very useful in the alternative medicine studies. PMID:23762162

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pol, V.

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 reactormore » under autogenic pressure (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.« less

Structural, magnetic, and magnetocaloric properties of bilayer manganite La1.38Sr1.62Mn2O7

NASA Astrophysics Data System (ADS)

Yang, Yu-E.; Xie, Yunfei; Xu, Lisha; Hu, Dazhi; Ma, Chunlan; Ling, Langsheng; Tong, Wei; Pi, Li; Zhang, Yuheng; Fan, Jiyu

2018-04-01

In this study, we investigated the structural, magnetic phase transition, and magnetocaloric properties of bilayer perovskite manganite La1.38Sr1.62Mn2O7 based on X-ray diffraction, electron paramagnetic resonance, and temperature-/magnetic field-dependent magnetization measurements. The structural characterization results showed the prepared sample had a tetragonal structure with the space group I4/mmm. The Curie temperature was determined as 114 K in the magnetization studies and a second-order paramagnetic-ferromagnetic transition was confirmed by the Arrott plot, which showed that the slopes were positive for all the curves. According to the variation in the electron paramagnetic resonance spectrum, we detected obvious electronic phase separation across a broad temperature range from 220 to 80 K in this magnetic material, thereby indicating that the paramagnetic and ferromagnetic phases coexist above as well as below the Curie temperature. Based on a plot of the isothermal magnetization versus the magnetic applied field, we deduced the maximum magnetic entropy change, which only reached 1.89 J/kg.K under an applied magnetic field of 7.0 T. These theoretical investigations indicated that in addition to the magnetoelastic couplings and electron interaction, electronic phase separation and anisotropic exchange interactions also affect the magnetic entropy changes in this bilayer manganite.

A two-stage magnetic refrigerator for astronomical applications with reservoir temperatures above 4 K

NASA Technical Reports Server (NTRS)

Hagmann, C.; Richards, P. L.

1993-01-01

We propose a novel adiabatic demagnetization refrigerator (ADR) to produce temperatures as low as 100 mK starting from a high temperature reservoir between 4 and 8 K. The high temperature reservoir for the ADR can be provided by a mechanical cooler or an unpumped liquid helium bath. This refrigerator can be used to cool bolometric infrared detectors for low background astronomy from mountain tops, balloons or satellites as well as to cool cryogenic x-ray detectors. The two-stage ADR consists of a single magnet with a paramagnetic chromic-cesium-alum (CCA) salt pill to produce the low temperature and paramagnetic gadolinium-gallium-garnet (GGG) as the first stage to intercept heat from the high temperature reservoir. Thermal contact between the paramagnets and the reservoir during magnetization is made with a mechanical heat switch. The ADR is suspended with Kevlar chords under tension for high mechanical stiffness and low parasitic heat leak. In a single cycle, the ADR maintains a temperature of 100 mK for 10 to 100 hours. This time depends strongly on the magnetic field and reservoir temperature but not on the volume of the paramagnetic material as long as the heat leak is dominated by the suspension.

Paramagnetic liposomes as innovative contrast agents for magnetic resonance (MR) molecular imaging applications.

PubMed

Terreno, Enzo; Delli Castelli, Daniela; Cabella, Claudia; Dastrù, Walter; Sanino, Alberto; Stancanello, Joseph; Tei, Lorenzo; Aime, Silvio

2008-10-01

This article illustrates some innovative applications of liposomes loaded with paramagnetic lanthanide-based complexes in MR molecular imaging field. When a relatively high amount of a Gd(III) chelate is encapsulated in the vesicle, the nanosystem can simultaneously affect both the longitudinal (R(1)) and the transverse (R(2)) relaxation rate of the bulk H2O H-atoms, and this finding can be exploited to design improved thermosensitive liposomes whose MRI response is not longer dependent on the concentration of the probe. The observation that the liposome compartmentalization of a paramagnetic Ln(III) complex induce a significant R(2) enhancement, primarily caused by magnetic susceptibility effects, prompted us to test the potential of such agents in cell-targeting MR experiments. The results obtained indicated that these nanoprobes may have a great potential for the MR visualization of cellular targets (like the glutamine membrane transporters) overexpressing in tumor cells. Liposomes loaded with paramagnetic complexes acting as NMR shift reagents have been recently proposed as highly sensitive CEST MRI agents. The main peculiarity of CEST probes is to allow the MR visualization of different agents present in the same region of interest, and this article provides an illustrative example of the in vivo potential of liposome-based CEST agents.

Detection of Nitric Oxide by Electron Paramagnetic Resonance Spectroscopy

PubMed Central

Hogg, Neil

2010-01-01

Electron paramagnetic resonance (EPR) spectroscopy has been used in a number of ways to study nitric oxide chemistry and biology. As an intrinsically stable and relatively unreactive diatomic free radical, the challenges for detecting this species by EPR are somewhat different than those for transient radical species. This review gives a basic introduction to EPR spectroscopy and discusses its uses to assess and quantify nitric oxide formation in biological systems. PMID:20304044

The Demonstration of the Feasibility of the Tuning and Stimulation of Nuclear Radiation.

DTIC Science & Technology

1988-10-31

line, or the center of a resonance pattern, is called the isomer shift. It is due to the electrostatic interaction of the nucleus with the electron ...magnetic moment due to the presence of unpaired electrons , the material is either paramagnetic or ferromagnetic. In paramagnetic materials these moments...capture and fission.4,5,8 A very fertile interdisciplinary area of nuclear quantum electronics 7 appeared to be developing, encouraged by the

Magnetic properties of point defects in proton irradiated diamond

NASA Astrophysics Data System (ADS)

Makgato, T. N.; Sideras-Haddad, E.; Ramos, M. A.; García-Hernández, M.; Climent-Font, A.; Zucchiatti, A.; Muñoz-Martin, A.; Shrivastava, S.; Erasmus, R.

2016-09-01

We investigate the magnetic properties of ultra-pure type-IIa diamond following irradiation with proton beams of ≈1-2 MeV energy. SQUID magnetometry indicate the formation of Curie type paramagnetism according to the Curie law. Raman and Photoluminescence spectroscopy measurements show that the primary structural features created by proton irradiation are the centers: GR1, ND1, TR12 and 3H. The Stopping and Range of Ions in Matter (SRIM) Monte Carlo simulations together with SQUID observations show a strong correlation between vacancy production, proton fluence and the paramagnetic factor. At an average surface vacancy spacing of ≈1-1.6 nm and bulk (peak) vacancy spacing of ≈0.3-0.5 nm Curie paramagnetism is induced by formation of ND1 centres with an effective magnetic moment μeff~(0.1-0.2)μB. No evidence of long range magnetic ordering is observed in the temperature range 4.2-300 K.

Molecular modeling of biomolecules by paramagnetic NMR and computational hybrid methods.

PubMed

Pilla, Kala Bharath; Gaalswyk, Kari; MacCallum, Justin L

2017-11-01

The 3D atomic structures of biomolecules and their complexes are key to our understanding of biomolecular function, recognition, and mechanism. However, it is often difficult to obtain structures, particularly for systems that are complex, dynamic, disordered, or exist in environments like cell membranes. In such cases sparse data from a variety of paramagnetic NMR experiments offers one possible source of structural information. These restraints can be incorporated in computer modeling algorithms that can accurately translate the sparse experimental data into full 3D atomic structures. In this review, we discuss various types of paramagnetic NMR/computational hybrid modeling techniques that can be applied to successful modeling of not only the atomic structure of proteins but also their interacting partners. This article is part of a Special Issue entitled: Biophysics in Canada, edited by Lewis Kay, John Baenziger, Albert Berghuis and Peter Tieleman. Copyright © 2017 Elsevier B.V. All rights reserved.

Study of the oxidized and non- oxidized bitumen modified with additive «Adgezolin» by using electron paramagnetic resonance

NASA Astrophysics Data System (ADS)

Mukhamatdinov, I.; Gafurov, M.; Kemalov, A.; Rodionov, A.; Mamin, G.; Fakhretdinov, P.

2018-05-01

Cationic surfactant (adhesion additive) «Adgezolin» has been developed. It is shown that introduction of «Adgezolin» into the oxidized bitumen increases the relative amount of asphaltenes and monocyclearomatic hydrocarbons. By means of electron paramagnetic resonance (EPR) it is demonstrated that the introduction of additive «Adgezolin» increases the number of paramagnetic «free» carbon radicals (FR) in the oxidized bitumen and decreases that in the unoxidized species. In both types of bitumen shift from the Lorentzian to Gaussian EPR lineshape of FR is obtained that could be connected with as an increase of the samples homogeneity. It is supposed that while in the oxygenated bitumens introduction of additives leads to the disaggregation of asphaltene-resins compounds, in the unoxidized samples the balance is shifted towards formation of di-radicals.

Combined multifrequency EPR and DFT study of dangling bonds in a-Si:H

NASA Astrophysics Data System (ADS)

Fehr, M.; Schnegg, A.; Rech, B.; Lips, K.; Astakhov, O.; Finger, F.; Pfanner, G.; Freysoldt, C.; Neugebauer, J.; Bittl, R.; Teutloff, C.

2011-12-01

Multifrequency pulsed electron paramagnetic resonance (EPR) spectroscopy using S-, X-, Q-, and W-band frequencies (3.6, 9.7, 34, and 94 GHz, respectively) was employed to study paramagnetic coordination defects in undoped hydrogenated amorphous silicon (a-Si:H). The improved spectral resolution at high magnetic field reveals a rhombic splitting of the g tensor with the following principal values: gx=2.0079, gy=2.0061, and gz=2.0034, and shows pronounced g strain, i.e., the principal values are widely distributed. The multifrequency approach furthermore yields precise 29Si hyperfine data. Density functional theory (DFT) calculations on 26 computer-generated a-Si:H dangling-bond models yielded g values close to the experimental data but deviating hyperfine interaction values. We show that paramagnetic coordination defects in a-Si:H are more delocalized than computer-generated dangling-bond defects and discuss models to explain this discrepancy.

Biocompatible Collagen Paramagnetic Scaffold for Controlled Drug Release.

PubMed

Bettini, Simona; Bonfrate, Valentina; Syrgiannis, Zois; Sannino, Alessandro; Salvatore, Luca; Madaghiele, Marta; Valli, Ludovico; Giancane, Gabriele

2015-09-14

A porous collagen-based hydrogel scaffold was prepared in the presence of iron oxide nanoparticles (NPs) and was characterized by means of infrared spectroscopy and scanning electron microscopy. The hybrid scaffold was then loaded with fluorescein sodium salt as a model compound. The release of the hydrosoluble species was triggered and accurately controlled by the application of an external magnetic field, as monitored by fluorescence spectroscopy. The biocompatibility of the proposed matrix was also tested by the MTT assay performed on 3T3 cells. Cell viability was only slightly reduced when the cells were incubated in the presence of the collagen-NP hydrogel, compared to controls. The economicity of the chemical protocol used to obtain the paramagnetic scaffolds as well as their biocompatibility and the safety of the external trigger needed to induce the drug release suggest the proposed collagen paramagnetic matrices for a number of applications including tissue engeneering and drug delivery.

Low-temperature anomalies in the dynamic elastic moduli of cubic AIIBVI crystals with 3d-transition metal impurities

NASA Astrophysics Data System (ADS)

Lonchakov, A. T.

2011-04-01

A negative paramagnetic contribution to the dynamic elastic moduli is identified in AIIBVI:3d wide band-gap compounds for the first time. It appears as a paramagnetic elastic, or, briefly, paraelastic, susceptibility. These compounds are found to have a linear temperature dependence for the inverse paraelastic susceptibility. This is explained by a contribution from the diagonal matrix elements of the orbit-lattice interaction operators in the energy of the spin-orbital states of the 3d-ion as a function of applied stress (by analogy with the Curie contribution to the magnetic susceptibility). The inverse paraelastic susceptibility of AIIBVI crystals containing non-Kramers 3d-ions is found to deviate from linearity with decreasing temperature and reaches saturation. This effect is explained by a contribution from nondiagonal matrix elements (analogous to the well known van Vleck contribution to the magnetic susceptibility of paramagnets).

Dependence of Van-Vleck paramagnetism on the size of nanocrystals in superstoichiometric TiO{sub y}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Valeeva, A. A., E-mail: valeeva@ihim.uran.ru; Nazarova, S. Z.; Rempel, A. A.

2016-04-15

In situ measurements of the magnetic susceptibility of titanium monoxide nanocrystals with superstoichiometric composition TiO{sub y} (y > 1) in the 300–1200 K temperature range showed that this value depends not only on the structural state of a sample, but also on the size of crystals. Analysis of data obtained for both ordered and disordered TiO{sub y} showed that the Van-Vleck paramagnetism is inversely proportional to the nanocrystal size because of breakage of the symmetry of local environment of the near-surface atoms of titanium and oxygen. The Van-Vleck paramagnetism contribution due to atomic-vacancy disorder in superstoichiometric titanium monoxide nanocrystals, asmore » well as in the stoichiometric composition, is proportional to a deviation of the degree of long-range order from its maximum value.« less

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

NASA Astrophysics Data System (ADS)

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.

Paramagnetic particles and mixing in micro-scale flows.

PubMed

Calhoun, R; Yadav, A; Phelan, P; Vuppu, A; Garcia, A; Hayes, M

2006-02-01

Mixing in microscale flows with rotating chains of paramagnetic particles can be enhanced by adjusting the ratio of viscous to magnetic forces so that chains dynamically break and reform. Lattice Boltzmann (LB) simulations were used to calculate the interaction between the fluid and suspended paramagnetic particles under the influence of a rotating magnetic field. Fluid velocities obtained from the LB simulations are used to solve the advection diffusion equation for massless tracer particles. At relatively high Mason numbers, small chains result in low edge velocities, and hence mixing is slower than at other Mason numbers. At low Mason numbers, long, stable chains form and produce little mixing toward the center of the chains. A peak in mixing rate is observed when chains break and reform. The uniformity of mixing is greater at higher Mason numbers because more small chains result in a larger number of small mixing areas.

Studying the Structure and Dynamics of Biomolecules by Using Soluble Paramagnetic Probes

PubMed Central

Hocking, Henry G; Zangger, Klaus; Madl, Tobias

2013-01-01

Characterisation of the structure and dynamics of large biomolecules and biomolecular complexes by NMR spectroscopy is hampered by increasing overlap and severe broadening of NMR signals. As a consequence, the number of available NMR spectroscopy data is often sparse and new approaches to provide complementary NMR spectroscopy data are needed. Paramagnetic relaxation enhancements (PREs) obtained from inert and soluble paramagnetic probes (solvent PREs) provide detailed quantitative information about the solvent accessibility of NMR-active nuclei. Solvent PREs can be easily measured without modification of the biomolecule; are sensitive to molecular structure and dynamics; and are therefore becoming increasingly powerful for the study of biomolecules, such as proteins, nucleic acids, ligands and their complexes in solution. In this Minireview, we give an overview of the available solvent PRE probes and discuss their applications for structural and dynamic characterisation of biomolecules and biomolecular complexes. PMID:23836693

Pumping Liquid Oxygen by Use of Pulsed Magnetic Fields

NASA Technical Reports Server (NTRS)

Youngquist, Robert; Lane, John; Immer, Christopher; Simpson, James

2004-01-01

An effort is underway to develop a method of pumping small amounts of liquid oxygen by use of pulsed magnetic fields. This development is motivated by a desire to reduce corrosion and hazards of explosion and combustion by eliminating all moving pump parts in contact with the pumped oxygen. The method exploits the known paramagnetism of liquid oxygen. Since they both behave similarly, the existing theory of ferrofluids (liquids with colloidally suspended magnetic particles) is directly applicable to paramagnetic liquid oxygen. In general, the force density of the paramagnetic interaction is proportional to the magnetic susceptibility multiplied by the gradient of the square of the magnitude of the magnetic field. The local force is in the direction of intensifying magnetic field. In the case of liquid oxygen, the magnetic susceptibility is large enough that a strong magnetic-field gradient can lift the liquid in normal Earth gravitation.

Ionic Liquids and Solids with Paramagnetic Anions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Castner, Jr., E.W.; Wishart, J.; Krieger, B.M.

2010-06-18

Four paramagnetic ionic compounds have been prepared and their magnetic, structural and thermal properties have been investigated. The four compounds are methylbutylpyrrolidinium tetrachloroferrate(III) ([Pyrr{sub 14}]{sup +}/[FeCl{sub 4}]{sup -}), methyltributylammonium tetrachloroferrate(III) ([N{sub 1444}]{sup +}/[FeCl{sub 4}]{sup -}), butylmethylimidazolium tetrachloroferrate(III) ([bmim]{sup +}/[FeCl{sub 4}]{sup -}) and tetrabutylammonium bromotrichloroferrate(III) ([N{sub 4444}]{sup +}/[FeBrCl{sub 3}]{sup -}). Temperature-dependent studies of their magnetic behaviors show that all four compounds are paramagnetic at ambient temperatures. Glass transitions are observed for only two of the four compounds, [Pyrr{sub 14}]{sup +}/[FeCl{sub 4}]{sup -} and [bmim]{sup +}/[FeCl{sub 4}]{sup -}. Crystal structures for [Pyrr{sub 14}]{sup +}/[FeCl{sub 4}]{sup -} and [N{sub 1444}]{sup +}/[FeCl{sub 4}]{sup -}more » are compared with the previously reported [N{sub 4444}]{sup +}/[FeBrCl{sub 3}]{sup -}.« less

Investigations on the Crystal-Chemical Behavior of Transition-Metal-Bearing Aluminosilicate Garnet Solid Solutions Using 27Al and 29Si NMR Spectroscopy

NASA Astrophysics Data System (ADS)

Palke, A. C.; Geiger, C. A.; Stebbins, J. F.

2015-12-01

The petrological importance of silicate garnet is derived from the presence of three distinct cation sites of varying size and coordination number. This allows for a wide range of trace, minor, and major element substitutions. However, a full and precise crystal-chemical understanding of the nature of transition metals in garnet is not at hand. Possible mechanisms of various charge-balanced substitutions (e.g. octahedral Ti4+ or tetrahedral Al3+) and the structural state of solid solutions (i.e. short- to long-range ordering) need study. We report on ongoing efforts in these directions using 27Al and 29Si Magic-Angle Spinning Nuclear Magnetic Resonance (MAS-NMR) spectroscopy. Early work on synthetic and natural Fe- and Mn-bearing pyrope- and grossular-rich garnets focused on the effect these paramagnetic transition metals have in measuring and interpreting NMR spectra. These results have been expanded with NMR measurements on synthetic pyrope-rich garnets containing other paramagnetic transition metals including Cr3+, V3+, Co2+, and Ni2+ as well as diamagnetic Ti4+. NMR peaks are severely broadened in the presence of even small concentrations of Cr3+, Mn2+, and Fe3+ leading to a loss of spectral resolution. On the other hand, the spectra of garnet containing V3+, Fe2+, Co2+, and Ni2+ have better resolution and show separate paramagnetically shifted NMR peaks. In some cases, crystal-chemical information can be obtained because of the large frequency separations between the NMR peaks that can be assigned to various local atomic configurations around Al and Si. Furthermore, the 27Al NMR spectrum of a synthetic pyrope garnet with about 2% diamagnetic Ti4+ on the octahedral site showed the absence of any tetrahedral Al3+, which rules out the substitution mechanism VITi + IVAl = VIAl + IVSi in the solid solution. Our NMR investigations on garnet are now being made at the exploratory level. We think that NMR spectra of diamagnetic garnet can provide information on a number of crystal-chemical properties. Spectra of garnet containing various paramagnetic transition elements can also, in some cases, give local structural information. With a better understanding of paramagnetic effects in NMR spectroscopy, this type of study can possibly be expanded to other geologically important paramagnetic minerals and phases.

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

DTIC Science & Technology

1978-12-12

EPR and ultrafiltration studies are recommceided to conduct luture metal ion- IgG binding research. Using Scatchard plots, bind.ng levels can be...of the binding sites can be best pursued by EPR and ultrafiltration using the fragments of IgG . This report noted some difference in the binding...immunoelectrophoresis, ultrafiltration, UV spectroscopy, atomic absorption spectroscopy, and electron paramagnetic resonance (EPR). IgG used ,- ,is non

Laser Spectroscopy Investigations of Materials for Solid State Laser Systems.

DTIC Science & Technology

1988-02-01

34 ing tools such as electron paramagnetic resonance and ". oc Be11 uniaxial stress. 19 However, the lattice structure of chryso- .,Pt AI3 PAIR 4 beryl... paramagnetic of these new emission bands is not known at the present time. resonance spectrum. 15The other features of the optical spectra cannot be...solution is peak absorption c-iefficient, and E, is the saturation field. The detuning parameter which accounts for the width of the resonant electronic

Charge ordering transition in GdBaCo2O5: Evidence of reentrant behavior

NASA Astrophysics Data System (ADS)

Allieta, M.; Scavini, M.; Lo Presti, L.; Coduri, M.; Loconte, L.; Cappelli, S.; Oliva, C.; Ghigna, P.; Pattison, P.; Scagnoli, V.

2013-12-01

We present a detailed study on the charge ordering transition in a GdBaCo2O5.0 system by combining high-resolution synchrotron powder/single-crystal diffraction with electron paramagnetic resonance experiments as a function of temperature. We found a second-order structural phase transition at TCO = 247 K (Pmmm to Pmma) associated with the onset of long-range charge ordering. At Tmin ≈ 1.2TCO, the electron paramagnetic resonance linewidth rapidly broadens, providing evidence of antiferromagnetic spin fluctuations. This likely indicates that, analogously to manganites, the long-range antiferromagnetic order in GdBaCo2O5.0 sets in at ≈TCO. Pair distribution function analysis of diffraction data revealed signatures of structural inhomogeneities at low temperature. By comparing the average and local bond valences, we found that above TCO the local structure is consistent with a fully random occupation of Co2+ and Co3+ in a 1:1 ratio and with a complete charge ordering below TCO. Below T ≈ 100 K the charge localization is partially melted at the local scale, suggesting a reentrant behavior of charge ordering. This result is supported by the weakening of superstructure reflections and the temperature evolution of electron paramagnetic resonance linewidth that is consistent with paramagnetic reentrant behavior reported in the GdBaCo2O5.5 parent compound.

Magnetic-field-induced effects in the electronic structure of itinerant d- and f-metal systems

NASA Astrophysics Data System (ADS)

Grechnev, G. E.

2009-08-01

A paramagnetic response of transition metals and itinerant d- and f-metal compounds in an external magnetic field is studied by employing ab initio full-potential LMTO method in the framework of the local spin density approximation. Within this method the anisotropy of the magnetic susceptibility in hexagonal close-packed transition metals is evaluated for the first time. This anisotropy is owing to the orbital Van Vleck-like paramagnetic susceptibility, which is revealed to be substantial in transition-metal systems due to hybridization effects in the electronic structure. It is demonstrated that compounds TiCo, Ni3Al, YCo2, CeCo2, YNi5, LaNi5, and CeNi5 are strong paramagnets close to the quantum critical point. For these systems the Stoner approximation underestimates the spin susceptibility, whereas the calculated field-induced spin moments provide a good description of the large paramagnetic susceptibilities and magnetovolume effects. It is revealed that an itinerant description of hybridized f electrons produces magnetic properties of the compounds CeCo2, CeNi5, UAl3, UGa3, USi3, and UGe3 in close agreement with experiment. In the uranium compounds UX3 the strong spin-orbit coupling together with hybridization effects give rise to peculiar magnetic states in which the field-induced spin moments are antiparallel to the external field, and the magnetic response is dominated by the orbital contribution.

Concentration of point defects in 4H-SiC characterized by a magnetic measurement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, B.; Jia, R. X., E-mail: rxjia@mail.xidian.edu.cn; Wang, Y. T.

A magnetic method is presented to characterize the concentration of point defects in silicon carbide. In this method, the concentration of common charged point defects, which is related to the density of paramagnetic centers, is determined by fitting the paramagnetic component of the specimen to the Brillouin function. Several parameters in the Brillouin function can be measured such as: the g-factor can be obtained from electron spin resonance spectroscopy, and the magnetic moment of paramagnetic centers can be obtained from positron lifetime spectroscopy combined with a first-principles calculation. To evaluate the characterization method, silicon carbide specimens with different concentrations ofmore » point defects are prepared with aluminum ion implantation. The fitting results of the densities of paramagnetic centers for the implanted doses of 1 × 10{sup 14} cm{sup −2}, 1 × 10{sup 15} cm{sup −2} and 1 × 10{sup 16} cm{sup −2} are 6.52 × 10{sup 14}/g, 1.14 × 10{sup 15}/g and 9.45 × 10{sup 14}/g, respectively. The same trends are also observed for the S-parameters in the Doppler broadening spectra. It is shown that this method is an accurate and convenient way to obtain the concentration of point defects in 4H-SiC.« less

Emergent Interfacial Ferromagnetism in CaMnO3-based Superlattices

NASA Astrophysics Data System (ADS)

Grutter, Alexander

2014-03-01

Interfaces of complex oxide materials provide a rich playground not only for the exploration of properties not found in the bulk constituents but also for the development of functional interfaces to be incorporated in spintronic applications. Emergent interfacial magnetic phenomena have been of great interest but surprisingly there have been few examples of emergent interfacial ferromagnetism. In this talk, I will describe our recent work on the stabilization of ferromagnetism in CaMnO3-based superlattices. We have demonstrated ferromagnetism at the interface between the antiferromagnetic insulator CaMnO3 and a paramagnetic metallic layer, including CaRuO3 and LaNiO3. Theoretically the ferromagnetism has been attributed to an interfacial double exchange interaction among the interfacial Mn ions that is mediated by itinerant electrons from the paramagnetic metallic layer. Through polarized neutron reflectivity and observation of exchange bias, we have demonstrated that the ferromagnetism comes from Mn ions in a single unit cell at the interfaces just as theory has predicted. We have also demonstrated that the metallicity of the paramagnetic layer is critical in stabilizing ferromagnetism at the interface and that the interfacial ferromagnetism can be suppressed by suppressing the metallicity of the paramagnetic layer. Despite the agreement with theory, there remain open questions as to the magnetic interactions among the interfacial ferromagnetic layers. For example, the saturated magnetic moment modulates as a function of the thickness of both the CaMnO3 and paramagnetic metal layers. The origins of this oscillation are not well understood and may stem from either structural effects or long-range oscillatory magnetic coupling interactions reminiscent of RKKY interactions. Evidence of the doubling of the unit cell and long range antiferromagnetic correlations support these speculations. This work was supported by the U.S. Department of Energy, Office of Science, Division of Materials Sciences and Engineering, under Contract # DE-AC05-76RL01830 and DE-SC0008505.

Application of electron paramagnetic resonance imaging to the characterization of the Ultem(R) exposed to 1 MeV electrons. Correlation of radical density data to tiger code calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suleman, N.K.

1994-12-01

A major long-term goal of the Materials Division at the NASA Langley Research Center is the characterization of new high-performance materials that have potential applications in the aircraft industry, and in space. The materials used for space applications are often subjected to a harsh and potentially damaging radiation environment. The present study constitutes the application of a novel technique to obtain reliable data for ascertaining the molecular basis for the resilience and durability of materials that have been exposed to simulated space radiations. The radiations of greatest concern are energetic electrons and protons, as well as galactic cosmic rays. Presently,more » the effects of such radiation on matter are not understood in their entirety. It is clear however, that electron radiation causes ionization and homolytic bond rupture, resulting in the formation of paramagnetic spin centers in the polymer matrices of the structural materials. Since the detection and structure elucidation of paramagnetic species are most readily accomplished using Electron Paramagnetic Resonance (EPR) Spectroscopy, the NASA LaRC EPR system was brought back on-line during the 1991 ASEE term. The subsequent 1992 ASEE term was devoted to the adaptation of the EPR core system to meet the requirements for EPR Imaging (EPRI), which provides detailed information on the spatial distribution of paramagnetic species in bulk media. The present (1994) ASEE term was devoted to the calibration of this EPR Imaging system, as well as to the application of this technology to study the effects of electron irradiation on Ultem(exp R), a high performance polymer which is a candidate for applications in aerospace. The Ultem was exposed to a dose of 2.4 x 10(exp 9) Rads (1-MeV energy/electron) at the LaRC electron accelerator facility. Subsequently, the exposed specimens were stored in liquid nitrogen, until immediately prior to analyses by EPRI.« less

Spectroscopic and quantum chemical study of the structure of a new paramagnetic dimeric palladium(II,III) complex with creatine

NASA Astrophysics Data System (ADS)

Mitewa, Mariana; Enchev, Venelin; Bakalova, Tatyana

2002-05-01

The structure and coordination mode of the newly synthesized dimeric paramagnetic Pd(II,III) complex are studied using magneto-chemical, EPR and IR spectroscopic methods. In order to perform reliable assignment of the IR bands, the structure and IR spectrum of the free creatine were calculated using ab initio method. For calculation of the configuration of its deprotonated and doubly deprotonated forms the semiempirical AM1 method was used.

Process and apparatus for preparing textured crystalline materials using anisotropy in the paramagnetic susceptibility

DOEpatents

Holloway, Aleksey

1992-01-07

The present invention discloses a process and apparatus for forming textures in materials. The process comprises heating a material having an anisotropy in the paramagnetic or diamagnetic susceptibility within a magnetic field. The material is heated to a temperature approaching its melting point while a magnetic field of at least 10.sup.4 Oe is simultaneously applied. The process and apparatus produce highly textured bulk and elongated materials with high current densities below critical superconducting temperatures.

Process and apparatus for preparing textured crystalline materials using anisotropy in the paramagnetic susceptibility

DOEpatents

Holloway, A.

1992-01-07

The present invention discloses a process and apparatus for forming textures in materials. The process comprises heating a material having an anisotropy in the paramagnetic or diamagnetic susceptibility within a magnetic field. The material is heated to a temperature approaching its melting point while a magnetic field of at least 10[sup 4]Oe is simultaneously applied. The process and apparatus produce highly textured bulk and elongated materials with high current densities below critical superconducting temperatures. 6 figs.

The role of spinning electrons in paramagnetic phenomena

NASA Technical Reports Server (NTRS)

Bose, D. M.

1986-01-01

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 ferromagne elements is given.

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

Cancer.gov

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

57Fe Mössbauer spectroscopy and electron paramagnetic resonance studies of human liver ferritin, Ferrum Lek and Maltofer®

NASA Astrophysics Data System (ADS)

Alenkina, I. V.; Oshtrakh, M. I.; Klencsár, Z.; Kuzmann, E.; Chukin, A. V.; Semionkin, V. A.

2014-09-01

A human liver ferritin, commercial Ferrum Lek and Maltofer® samples were studied using Mössbauer spectroscopy and electron paramagnetic resonance. Two Mössbauer spectrometers have been used: (i) a high velocity resolution (4096 channels) at 90 and 295 K, (ii) and a low velocity resolution (250 channels) at 20 and 40 K. It is shown that the three studied materials have different superparamagnetic features at various temperatures. This may be caused by different magnetic anisotropy energy barriers, sizes (volume), structures and compositions of the iron cores. The electron paramagnetic resonance spectra of the ferritin, Ferrum Lek and Maltofer® were decomposed into multiple spectral components demonstrating the presence of minor ferro- or ferrimagnetic phases along with revealing marked differences among the studied substances. Mössbauer spectroscopy provides evidences on several components in the measured spectra which could be related to different regions, layers, nanocrystallites, etc. in the iron cores that coincides with heterogeneous and multiphase models for the ferritin iron cores.

Quench of paramagnetic orbital selective Mott phase and appearance of antiferromagnetic orbital selective slater phase in multiorbital correlated systems

NASA Astrophysics Data System (ADS)

Quan, Ya-Min; Liu, Da-Yong; Lin, Hai-Qing; Zou, Liang-Jian

2018-06-01

We present the modulation of magnetic order on the orbital selective Mott phases (OSMP) and the metal-insulator transitions (MIT) of multi-orbital Hubbard models by employing the rotationally invariant slave-boson methods. We show that at half filling, the well-known paramagnetic (PM) OSMP is completely covered by an antiferromagnetic (AFM) Slater insulator, and the PM Mott phase by an AFM Mott insulator when electron correlation strength varies from intermediate to strong both in two- and three-orbitals Hubbard systems. Away from half-filling, we find that a partial-polarized AFM orbital-selective Slater phase appears in the intermediate correlation regime, and an almost full-polarized AFM OSMP fully covers the paramagnetic OSMP. In addition, the ferromagnetic phase in the three-orbital case is more robust than that in the two-orbital case. These results demonstrate that the modulation of magnetic correlation to the quasiparticle spectra leads to much rich and more interesting MIT scenario in multiorbital correlated systems.

How can EPR spectroscopy help to unravel molecular mechanisms of flavin-dependent photoreceptors?

PubMed

Nohr, Daniel; Rodriguez, Ryan; Weber, Stefan; Schleicher, Erik

2015-01-01

Electron paramagnetic resonance (EPR) spectroscopy is a well-established spectroscopic method for the examination of paramagnetic molecules. Proteins can contain paramagnetic moieties in form of stable cofactors, transiently formed intermediates, or spin labels artificially introduced to cysteine sites. The focus of this review is to evaluate potential scopes of application of EPR to the emerging field of optogenetics. The main objective for EPR spectroscopy in this context is to unravel the complex mechanisms of light-active proteins, from their primary photoreaction to downstream signal transduction. An overview of recent results from the family of flavin-containing, blue-light dependent photoreceptors is given. In detail, mechanistic similarities and differences are condensed from the three classes of flavoproteins, the cryptochromes, LOV (Light-oxygen-voltage), and BLUF (blue-light using FAD) domains. Additionally, a concept that includes spin-labeled proteins and examination using modern pulsed EPR is introduced, which allows for a precise mapping of light-induced conformational changes.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gorai, Prashun; Toberer, Eric S.; Stevanović, Vladan

Here, at room temperature and above, most magnetic materials adopt a spin-disordered (paramagnetic) state whose electronic properties can differ significantly from their low-temperature, spin-ordered counterparts. Yet computational searches for new functional materials usually assume some type of magnetic order. In the present work, we demonstrate a methodology to incorporate spin disorder in computational searches and predict the electronic properties of the paramagnetic phase. We implement this method in a high-throughput framework to assess the potential for thermoelectric performance of 1350 transition-metal sulfides and find that all magnetic systems we identify as promising in the spin-ordered ground state cease to bemore » promising in the paramagnetic phase due to disorder-induced deterioration of the charge carrier transport properties. We also identify promising non-magnetic candidates that do not suffer from these spin disorder effects. In addition to identifying promising materials, our results offer insights into the apparent scarcity of magnetic systems among known thermoelectrics and highlight the importance of including spin disorder in computational searches.« less

Enhanced Positive-Contrast Visualization of Paramagnetic Contrast Agents Using Phase Images

PubMed Central

Mills, Parker H.; Ahrens, Eric T.

2009-01-01

Iron oxide–based MRI contrast agents are increasingly being used to noninvasively track cells, target molecular epitopes, and monitor gene expression in vivo. Detecting regions of contrast agent accumulation can be challenging if resulting contrast is subtle relative to endogenous tissue hypointensities. A postprocessing method is presented that yields enhanced positive-contrast images from the phase map associated with T2*-weighted MRI data. As examples, the method was applied to an agarose gel phantom doped with superparamagnetic iron-oxide nanoparticles and in vivo and ex vivo mouse brains inoculated with recombinant viruses delivering transgenes that induce overexpression of paramagnetic ferritin. Overall, this approach generates images that exhibit a 1- to 8-fold improvement in contrast-to-noise ratio in regions where paramagnetic agents are present compared to conventional magnitude images. This approach can be used in conjunction with conventional T2* pulse sequences, requires no prescans or increased scan time, and can be applied retrospectively to previously acquired data. PMID:19780169

Dissociation of O(2-)2 defects into paramagnetic O(-) in wide band-gap insulators - A magnetic susceptibility study of magnesium oxide

NASA Technical Reports Server (NTRS)

Batllo, F.; Leroy, R. C.; Parvin, K.; Freund, F.

1990-01-01

The magnetic susceptibility of single-crystal MgO has been measured in the temperature range 300-1000 K, using a Faraday balance. The high-purity crystal (less than 100 ppm transition metals), grown from the melt in a H2O-containing atmosphere, was found to be paramagnetic due to the presence of defects on the O(2-) sublattice. The defects derive from OH(-) introduced into the MgO matrix by the dissolution of traces of H2O during crystal growth. The OH(-) converts into O(2-)2 and H2. Each O(2-)2 represents two coupled, spin-paired O(-) states. The observed strongly temperature-dependent paramagnetism can be described by three contributions that overlay the intrinsic diamagnetism of MgO and arise from the low level of transition-metal impurities, O(-) generated by 0(2-)2 dissociation, and O(-) states trapped by quenching from high temperatures from previous experiments.

Investigating Pigment Radicals in Black Rice Using HPLC and Multi-EPR.

PubMed

Nakagawa, Kouichi; Maeda, Hayato

2017-01-01

We investigated the location and distribution of paramagnetic species in black and white rice using electron paramagnetic resonance (EPR), X-band (9 GHz) EPR imaging (EPRI), and HPLC. EPR primarily detected two paramagnetic species in black rice, which were identified as a stable radical and Mn 2+ species, based on the g values and hyperfine components of the EPR signals. The signal from the stable radical appeared at g ≈ 2.00 and was relatively strong and stable. Subsequent noninvasive two-dimensional (2D) EPRI revealed that this stable radical was primarily located in the pigmented region of black rice, while very few radicals were observed in the rice interior. Pigments extracted from black rice were analyzed using HPLC; the major compound was found to be cyanidin-3-glucoside. EPR and HPLC results indicate that the stable radical was only found within the pigmented region of the rice, and that it could either be cyanidin-3-glucoside, or one of its oxidative decomposition products.

How can EPR spectroscopy help to unravel molecular mechanisms of flavin-dependent photoreceptors?

PubMed Central

Nohr, Daniel; Rodriguez, Ryan; Weber, Stefan; Schleicher, Erik

2015-01-01

Electron paramagnetic resonance (EPR) spectroscopy is a well-established spectroscopic method for the examination of paramagnetic molecules. Proteins can contain paramagnetic moieties in form of stable cofactors, transiently formed intermediates, or spin labels artificially introduced to cysteine sites. The focus of this review is to evaluate potential scopes of application of EPR to the emerging field of optogenetics. The main objective for EPR spectroscopy in this context is to unravel the complex mechanisms of light-active proteins, from their primary photoreaction to downstream signal transduction. An overview of recent results from the family of flavin-containing, blue-light dependent photoreceptors is given. In detail, mechanistic similarities and differences are condensed from the three classes of flavoproteins, the cryptochromes, LOV (Light-oxygen-voltage), and BLUF (blue-light using FAD) domains. Additionally, a concept that includes spin-labeled proteins and examination using modern pulsed EPR is introduced, which allows for a precise mapping of light-induced conformational changes. PMID:26389123

Is an Apple Magnetic: Magnetic Response of Everyday Materials Supporting Views About the Nature of Science

NASA Astrophysics Data System (ADS)

Laumann, Daniel

2017-03-01

Magnetism and its various applications are essential for our daily life and for many technological developments. The term magnetism is almost always used as a synonym for ferromagnetism. However, the magnetic properties of the elements of the periodic table indicate that the vast majority of elements are not ferromagnetic, but rather, diamagnetic or paramagnetic. Typically, only ferromagnetism is discussed in classrooms, which can create a distorted picture. This article supplies the further development of an experiment demonstrating the dia- and paramagnetic properties with an electronic balance and a neodymium magnet. It focuses on an investigation of ordinary materials that occur in pupils' everyday environment. The experiment is applicable both for a quantitative measurement of the magnetic (volume) susceptibility χV and can serve as a phenomenological approach to dia- and paramagnetism. Moreover, it encourages a discussion about typical beliefs regarding the nature of science, comparing the behavior of common objects in weak and in strong magnetic fields.

Nitroxide paramagnet-induced para-ortho conversion and nuclear spin relaxation of H2 in organic solvents.

PubMed

Sartori, Elena; Ruzzi, Marco; Lawler, Ronald G; Turro, Nicholas J

2008-09-24

The kinetics of para-ortho conversion and nuclear spin relaxation of H 2 in chloroform- d 1 were investigated in the presence of nitroxides as paramagnetic catalysts. The back conversion from para-hydrogen ( p-H 2) to ortho-hydrogen ( o-H 2) was followed by NMR by recording the increase in the intensity of the signal of o-H 2 at regular intervals of time. The nitroxides proved to be hundreds of times more effective at inducing relaxation among the spin levels of o-H 2 than they are in bringing about transitions between p-H 2 and the levels of o-H 2. The value of the encounter distance d between H 2 and the paramagnetic molecule, calculated from the experimental bimolecular conversion rate constant k 0, using the Wigner theory of para-ortho conversion, agrees perfectly with that calculated from the experimental relaxivity R 1 using the force free diffusion theory of spin-lattice relaxation.

Enhanced paramagnetism of mesoscopic graphdiyne by doping with nitrogen.

PubMed

Zhang, Mingjia; Wang, Xiaoxiong; Sun, Huijuan; Wang, Ning; Lv, Qing; Cui, Weiwei; Long, Yunze; Huang, Changshui

2017-09-14

The new two-dimensional graphitic material, graphdiyne, has attracted great interest recently due to the superior intrinsic semiconductor properties. Here we investigate the magnetism of pure graphdiyne material and find it demonstrating a remarkable paramagnetic characteristic, which can be attributed to the appearance of special sp-hybridized carbon atoms. On this basis, we further introduce nitrogen with 5.29% N/C ratio into graphdiyne followed by simply annealing in a dopant source and realize a twofold enhancement of saturation moment at 2 K. Associate with the density of states calculation, we investigate the influence of the nitrogen atom doping sites on paramagnetism, and further reveal the important role of doped nitrogen atom on benzene ring in improving local magnetic moment. These results can not only help us deeply understand the intrinsic magnetism of graphdiyne, but also open an efficient way to improve magnetism of graphdiyne by hetero atom doping, like nitrogen doping, which may promote the potential application of graphdiyne in spintronics.

Origin of negative resistivity slope in U-based ferromagnets

NASA Astrophysics Data System (ADS)

Havela, L.; Paukov, M.; Buturlim, V.; Tkach, I.; Mašková, S.; Dopita, M.

2018-05-01

Ultra-nanocrystalline UH3-based ferromagnets with TC ≈ 200 K exhibit a flat temperature dependence of electrical resistivity with a negative slope both in the ferromagnetic and paramagnetic range. The ordered state with randomness on atomic scale, equivalent to a non-collinear ferromagnetism, can be affected by magnetic field, supressing the static magnetic disorder, which reduces the resistivity and removes the negative slope. It is deduced that the dynamic magnetic disorder in the paramagnetic state can be conceived as continuation of the static disorder in the ordered state. The experiments, performed for (UH3)0.78Mo0.12Ti0.10, demonstrate that the negative resistivity slope, observed for numerous U-based intermetallics in the paramagnetic state, can be due to the strong disorder effect on resistivity. The resulting weak localization, as a quantum interference effect which increases resistivity, is gradually suppressed by enhanced temperature, contributing by electron-phonon scattering, inelastic in nature and removing the quantum coherence.

Alfven seismic vibrations of crustal solid-state plasma in quaking paramagnetic neutron star

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bastrukov, S.; Xu, R.-X.; Molodtsova, I.

2010-11-15

Magneto-solid-mechanical model of two-component, core-crust, paramagnetic neutron star responding to quake-induced perturbation by differentially rotational, torsional, oscillations of crustal electron-nuclear solid-state plasma about axis of magnetic field frozen in the immobile paramagnetic core is developed. Particular attention is given to the node-free torsional crust-against-core vibrations under combined action of Lorentz magnetic and Hooke's elastic forces; the damping is attributed to Newtonian force of shear viscose stresses in crustal solid-state plasma. The spectral formulas for the frequency and lifetime of this toroidal mode are derived in analytic form and discussed in the context of quasiperiodic oscillations of the x-ray outburst fluxmore » from quaking magnetars. The application of obtained theoretical spectra to modal analysis of available data on frequencies of oscillating outburst emission suggests that detected variability is the manifestation of crustal Alfven's seismic vibrations restored by Lorentz force of magnetic field stresses.« less

How paramagnetic and diamagnetic LMOCs detect picric acid from surface water and the intracellular environment: a combined experimental and DFT-D3 study.

PubMed

Ghosh, Pritam; Banerjee, Priyabrata

2016-08-17

Diamagnetic and Paramagnetic Luminescent Metal Organic Complexes (LMOCs) have been reported for Explosive and Pollutant Nitro Aromatic (epNAC) recognition. The diamagnetic complex shows a highly intense AIE induced by NEt3H(+), which disappears after picric acid recognition and subsequently RET will quench the emission intensity. Radical stabilized paramagnetic LMOCs seem to be active but show lower sensing efficiency in comparison with diamagnetic LMOCs. Solution and solid state spectroscopy studies along with DFT-D3 have been executed to enlighten the host guest interaction. Limit of PA detection is ∼250 ppb with a binding constant of 1.2 × 10(5) M(-1). Time-stepping, i.e. intervening in the problem of picric acid recognition from surface water collected from several places of West Bengal, India, has been performed. Mutagenic picric acid has been successfully detected in an aqueous medium inside both prokaryotic and eukaryotic cells at a ppm level using fluorescence microscopy.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolff-Fabris, F.; Lei, Hechang; Wosnitza, J.

We have studied the temperature dependence of the upper critical fields μ 0 H c 2 of K x Fe 2 - y Se 2 - z S z single crystals up to 60 T. The μ 0 H c 2 for H ∥ a b and H ∥ c decrease with increasing sulfur content. The detailed analysis using Werthamer-Helfand-Hohenberg theory including the Pauli spin-paramagnetic effect shows that μ 0 H c 2 for H ∥ a b is dominated by the spin-paramagnetic effect, which diminishes with higher S content, whereas μ 0 H c 2 for H ∥ cmore » shows a linear temperature dependence with an upturn at high fields. The latter observation can be ascribed to multiband effects that become weaker for higher S content. This results in an enhanced anisotropy of μ 0 H c 2 for high S content due to the different trends of the spin-paramagnetic and multiband effect for H ∥ a b and H ∥ c , respectively.« less

Magnetic and thermoelectric properties of electron doped Ca0.85Pr0.15MnO3

NASA Astrophysics Data System (ADS)

Hossain Khan, Momin; Pal, Sudipta; Bose, Esa

2015-10-01

We have investigated temperature-dependent magnetization (M), magnetic susceptibility (χ) and thermoelectric (S) properties of the electron-doped Ca0.85Pr0.15MnO3. With decrease of temperature, paramagnetic (PM) to antiferromagnetic (AFM) phase transition occurs with a well-defined Néel temperature (TN=122 K). Magnetic susceptibility measurements reveal that the paramagnetic state involves modified Curie-Weiss paramagnetism. Field cooled and zero field cooled magnetization measurements indicate a signature of magnetic frustration. Ferromagnetic (FM) double-exchange interactions associated with doped eg electrons are favored over competing AFM interactions below Tirr=112 K. Magnetization data also shows a second-order phase transition. The sign reversal in S(T) has been interpreted in terms of the change in the electronic structure relating to the orbital degrees of freedom of the doped eg electron. Low temperature (5-140 K) thermoelectric power, S (T) signifies the importance of electron-magnon scattering process.

Multiferroic composites for magnetic data storage beyond the super-paramagnetic limit

NASA Astrophysics Data System (ADS)

Vopson, M. M.; Zemaityte, E.; Spreitzer, M.; Namvar, E.

2014-09-01

Ultra high-density magnetic data storage requires magnetic grains of <5 nm diameters. Thermal stability of such small magnetic grain demands materials with very large magneto-crystalline anisotropy, which makes data write process almost impossible, even when Heat Assisted Magnetic Recording (HAMR) technology is deployed. Here, we propose an alternative method of strengthening the thermal stability of the magnetic grains via elasto-mechanical coupling between the magnetic data storage layer and a piezo-ferroelectric substrate. Using Stoner-Wohlfarth single domain model, we show that the correct tuning of this coupling can increase the effective magneto-crystalline anisotropy of the magnetic grains making them stable beyond the super-paramagnetic limit. However, the effective magnetic anisotropy can also be lowered or even switched off during the write process by simply altering the applied voltage to the substrate. Based on these effects, we propose two magnetic data storage protocols, one of which could potentially replace HAMR technology, with both schemes promising unprecedented increases in the data storage areal density beyond the super-paramagnetic size limit.

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

PubMed

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.

Improving the method of low-temperature anisotropy of magnetic susceptibility (LT-AMS) measurements in air

NASA Astrophysics Data System (ADS)

Issachar, R.; Levi, T.; Lyakhovsky, V.; Marco, S.; Weinberger, R.

2016-07-01

This study examines the limitations of the method of low-temperature anisotropy of magnetic susceptibility (LT-AMS) measurements in air and presents technical improvements that significantly reduce the instrumental drift and measurement errors. We analyzed the temperature profile of porous chalk core after cooling in liquid nitrogen and found that the average temperature of the sample during the LT-AMS measurement in air is higher than 77K and close to 92K. This analysis indicates that the susceptibility of the paramagnetic minerals are amplified by a factor ˜3.2 relative to that of room temperature AMS (RT-AMS). In addition, it was found that liquid nitrogen was absorbed in the samples during immersing and contributed diamagnetic component of ˜-9 × 10-6 SI to the total mean susceptibility. We showed that silicone sheet placed around and at the bottom of the measuring coil is an effective thermal protection, preventing instrument drift by the cold sample. In this way, the measuring errors of LT-AMS reduced to the level of RT-AMS, allowing accurate comparison with standard AMS measurements. We examined the applicability of the LT-AMS measurements on chalk samples that consist <5% (weight) of paramagnetic minerals and showed that it helps to efficiently enhance the paramagnetic fabric. The present study offers a practical approach, which can be applied to various types of rocks to better delineate the paramagnetic phase using conventional equipment.

Emergence of superconductivity and magnetic ordering tuned by Fe-vacancy in alkali-metal Fe chalcogenides RbxFe2-ySe2

NASA Astrophysics Data System (ADS)

Kobayashi, Yoshiaki; Kototani, Shouhei; Itoh, Masayuki; Sato, Masatoshi

2014-12-01

Samples of RbxFe2-ySe2 exhibiting superconductivity [superconducting (SC) samples] undergo a phase-separation into two phases, a Fe-vacancy ordered phase with antiferromagnetic (AFM) transition at TN1~500 K (AFM1 phase) and a phase with little Fe- vacancy and SC transition at Tc~30 K (SC phase). The samples of RbxFe2-ySe2 exhibiting no SC behaviour (non-SC samples) are phase-separated into three phases, the AFM1 phase, another AFM phase with TN2 ~150 K (AFM2 phase), and a paramagnetic phase with no SC transitions (paramagnetic non-SC phase). In this paper, we present the experimental results of magnetic susceptibility, electrical resistivity, and NMR measurements on single crystals of RbxFe2-ySe2 to reveal physical properties of these co-existing phases in the SC and non-SC samples. The 87Rb and 77Se NMR spectra show that the Fe vacancy concentration is very small in the Fe planes of the SC phase, whereas the AFM2 and paramagnetic non-SC phases in non-SC samples have larger amount of Fe vacancies. The randomness induced by the Fe vacancy in the non-SC samples makes the AFM2 and paramagnetic non-SC phases insulating/semiconducting and magnetically active, resulting in the absence of the superconductivity in RbxFe2-ySe2.

Solution 1H NMR characterization of the axial bonding of the two His in oxidized human cytoglobin

PubMed Central

Bondarenko, Vasyl; Dewilde, Sylvia; Moens, Luc; La Mar, Gerd N.

2008-01-01

Solution 1H NMR spectroscopy has been used to determine the relative strengths (covalency) of the two axial His-Fe bonds in paramagnetic, S = 1/2, human met-cytoglobin. The sequence specific assignments of crucial portions of the proximal and distal helices, together with the magnitude of hyperfine shifts and paramagnetic relaxation, establish that His81 and His113, at the canonical positions E7 and F8 in the myoglobin fold, respectively, are ligated to the iron. The characterized complex (~90%) in solution has protohemin oriented as in crystals, with the remaining ~10% exhibiting the hemin orientation rotated 180° about the α-, γ-meso axis. No evidence could be obtained for any five-coordinate complex (<1%) in equilibrium with the six-coordinate complexes. Extensive sequence-specific assignments on other dipolar shifted helical fragments and loops, together with available alternate crystal coordinates for the complex, allowed the robust determination of the orientation and anisotropies of the paramagnetic susceptibility tensor. The tilt of the major axis is controlled by the His-Fe-His vector, and the rhombic axes by the mean of the imidazole orientations for the two His. The anisotropy of the paramagnetic susceptibility tensor allowed the quantitative factoring of the hyperfine shifts for the two axial His to reveal indistinguishable pattern and magnitudes of the contact shifts or π spin densities, and hence, indistinguishable Fe-imidazole covalency for both Fe-His bonds. PMID:17002396

Dynamical arrest with zero complexity: The unusual behavior of the spherical Blume-Emery-Griffiths disordered model

NASA Astrophysics Data System (ADS)

Rainone, Corrado; Ferrari, Ulisse; Paoluzzi, Matteo; Leuzzi, Luca

2015-12-01

The short- and long-time dynamics of model systems undergoing a glass transition with apparent inversion of Kauzmann and dynamical arrest glass transition lines is investigated. These models belong to the class of the spherical mean-field approximation of a spin-1 model with p -body quenched disordered interaction, with p >2 , termed spherical Blume-Emery-Griffiths models. Depending on temperature and chemical potential the system is found in a paramagnetic or in a glassy phase and the transition between these phases can be of a different nature. In specific regions of the phase diagram coexistence of low-density and high-density paramagnets can occur, as well as the coexistence of spin-glass and paramagnetic phases. The exact static solution for the glassy phase is known to be obtained by the one-step replica symmetry breaking ansatz. Different scenarios arise for both the dynamic and the thermodynamic transitions. These include: (i) the usual random first-order transition (Kauzmann-like) for mean-field glasses preceded by a dynamic transition, (ii) a thermodynamic first-order transition with phase coexistence and latent heat, and (iii) a regime of apparent inversion of static transition line and dynamic transition lines, the latter defined as a nonzero complexity line. The latter inversion, though, turns out to be preceded by a dynamical arrest line at higher temperature. Crossover between different regimes is analyzed by solving mode-coupling-theory equations near the boundaries of paramagnetic solutions and the relationship with the underlying statics is discussed.

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

PubMed

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.

Study of the changes in the magnetic properties of stainless steels under mechanical treatment

NASA Astrophysics Data System (ADS)

Iankov, R.; Rusanov, V.; Paneva, D.; Mitov, I.; Trautwein, A. X.

2016-12-01

Six types of stainless steels (SS) were studied for changes in its structure and magnetic properties under mechanical treatment. Depending on intensity and duration of the process of plastic deformation and the SS type the paramagnetic austenite structure transforms partially to completely into ferrite structure with ferromagnetic behaviour. Some of the SS tested were found slightly modified yet in the process of its manufacturing. Only one SS type with high Ni content preserved its structure and paramagnetic properties even after very intense mechanical treatment.

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

NASA Astrophysics Data System (ADS)

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.

Electron paramagnetic resonance of gamma-irradiated single crystals of 3-nitroacetanilide

NASA Astrophysics Data System (ADS)

Aşik, Biray

2008-06-01

The electron paramagnetic resonance of single crystals of 3-nitroacetanilide has been observed and analyzed for different orientations of the crystal in the magnetic field, after being damaged at 300 K by γ-irradiation. The crystals have been investigated between 123 and 300 K. The spectra were found to be temperature independent. The irradiation of 3-nitroacetanilide by γ-rays produces radicals at the nitrogen atoms in the molecule. The principal values of the hyperfine coupling tensor of the unpaired electron and the principal values of the g-tensor were determined.

EPR study of free radical in gamma-irradiated bis(cyclopentadienyl)zirconium dichloride single crystal

NASA Astrophysics Data System (ADS)

Caliskan, Betul; Caliskan, Ali Cengiz

2017-06-01

Bis(cyclopentadienyl)zirconium dichloride (BCZD; zirconocene dichloride) single crystals were exposed to 60Co-γ irradiation at room temperature. The irradiated single crystals were investigated between 125 and 470 K by electron paramagnetic resonance spectroscopy. The spectra of the crystals were found to be temperature independent. The paramagnetic center was attributed to the cyclopentadienyl radical. The g values of the radiation damage center observed in BCZD single crystal and the hyperfine structure constants of the free electron with nearby protons were obtained.

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

NASA Astrophysics Data System (ADS)

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.

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

NASA Technical Reports Server (NTRS)

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

2002-01-01

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.

Application of Paramagnetically Tagged Molecules for Magnetic Resonance Imaging of Biofilm Mass Transport Processes▿

PubMed Central

Ramanan, B.; Holmes, W. M.; Sloan, W. T.; Phoenix, V. R.

2010-01-01

Molecules become readily visible by magnetic resonance imaging (MRI) when labeled with a paramagnetic tag. Consequently, MRI can be used to image their transport through porous media. In this study, we demonstrated that this method could be applied to image mass transport processes in biofilms. The transport of a complex of gadolinium and diethylenetriamine pentaacetic acid (Gd-DTPA), a commercially available paramagnetic molecule, was imaged both in agar (as a homogeneous test system) and in a phototrophic biofilm. The images collected were T1 weighted, where T1 is an MRI property of the biofilm and is dependent on Gd-DTPA concentration. A calibration protocol was applied to convert T1 parameter maps into concentration maps, thus revealing the spatially resolved concentrations of this tracer at different time intervals. Comparing the data obtained from the agar experiment with data from a one-dimensional diffusion model revealed that transport of Gd-DTPA in agar was purely via diffusion, with a diffusion coefficient of 7.2 × 10−10 m2 s−1. In contrast, comparison of data from the phototrophic biofilm experiment with data from a two-dimensional diffusion model revealed that transport of Gd-DTPA inside the biofilm was by both diffusion and advection, equivalent to a diffusion coefficient of 1.04 × 10−9 m2 s−1. This technology can be used to further explore mass transport processes in biofilms, either by using the wide range of commercially available paramagnetically tagged molecules and nanoparticles or by using bespoke tagged molecules. PMID:20435773

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

PubMed

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

2015-09-21

A variety of new oxide-based materials based on hexagonal phase of YInO3 have been recently described. In some of these materials, the In(III) ions are substituted by Mn(III), which finds itself in a trigonal-bipyramidal (TBP) coordination environment. While YInO3 is colorless and YMnO3 is black, mixed systems YIn1-xMnxO3 (0.02 < x < 0.25) display intense blue color and have been proposed as novel blue pigments. Since the Mn(III) ion is paramagnetic, its presence imparts distinct magnetic properties to the whole class of materials. These properties were investigated by electron paramagnetic resonance (EPR) in its high-frequency and -field version (HFEPR), a technique ideally suited for transition metal ions such as Mn(III) that, in contrast to, for example, Mn(II), are difficult to study by EPR at (conventional) low frequency and field. YIn1-xMnxO3 with 0.02 < x < 0.2 exhibited high-quality HFEPR spectra up to room temperature that could be interpreted as arising from isolated S = 2 paramagnets. A simple ligand-field model, based on the structure and optical spectra, explains the spin Hamiltonian parameters provided by HFEPR, which were D = +3.0 cm(-1), E = 0; g⊥ = 1.99, g∥ = 2.0. This study demonstrates the general applicability of a combined spectroscopic and classical theoretical approach to understanding the electronic structure of novel materials containing paramagnetic dopants. Moreover, HFEPR complements optical and other experimental methods as being a sensitive probe of dopant level.

Dynamical instability of a spin spiral in an interacting Fermi gas as a probe of the Stoner transition

NASA Astrophysics Data System (ADS)

Conduit, G. J.; Altman, E.

2010-10-01

We propose an experiment to probe ferromagnetic phenomena in an ultracold Fermi gas, while alleviating the sensitivity to three-body loss and competing many-body instabilities. The system is initialized in a small pitch spin spiral, which becomes unstable in the presence of repulsive interactions. To linear order the exponentially growing collective modes exhibit critical slowing down close to the Stoner transition point. Also, to this order, the dynamics are identical on the paramagnetic and ferromagnetic sides of the transition. However, we show that scattering off the exponentially growing modes qualitatively alters the collective mode structure. The critical slowing down is eliminated and in its place a new unstable branch develops at large wave vectors. Furthermore, long-wavelength instabilities are quenched on the paramagnetic side of the transition. We study the experimental observation of the instabilities, specifically addressing the trapping geometry and how phase-contrast imaging will reveal the emerging domain structure. These probes of the dynamical phenomena could allow experiments to detect the transition point and distinguish between the paramagnetic and ferromagnetic regimes.

Ferromagnetism observed in silicon-carbide-derived carbon

NASA Astrophysics Data System (ADS)

Peng, Bo; Zhang, Yuming; Wang, Yutian; Guo, Hui; Yuan, Lei; Jia, Renxu

2018-02-01

Carbide-derived carbon (CDC) is prepared by etching high purity 4H-SiC single crystals in a mixed atmosphere of 5% Cl2 and 95% Ar for 120 min and 240 min. The secondary ion mass spectroscopy (SIMS) bulk analysis technique excludes the possibility of ferromagnetic transition metal (TM) contamination arising during the experimental process. The paramagnetic and ferromagnetic components are separated from the measured magnetization-magnetic field curves of the samples. Through the use of the Brillouin function, paramagnetic centers carrying a magnetic moment of ˜1.3 μB are fitted. A resolvable hysteresis loop in the low magnetic field area is preserved at room temperature. The temperature dependence of the relative intensity of the Lorentzian-like electron spin resonance (ESR) line observed by electron spin spectroscopy reveals the existence of exchange interaction between the localized paramagnetic centers. First-principles calculations show the dominant configuration of defects in the graphitic CDC films. By calculating the energy difference between the antiferromagnetic and ferromagnetic phases, we deduce that the ferromagnetic coupling is sensitive to the concentration of defects.

Measurement of Rate Constants for Homodimer Subunit Exchange Using Double Electron-Electron Resonance and Paramagnetic Relaxation Enhancements

PubMed Central

Yang, Yunhuang; Ramelot, Theresa A.; Ni, Shuisong; McCarrick, Robert M.; Kennedy, Michael A.

2013-01-01

Here, we report novel methods to measure rate constants for homodimer subunit exchange using double electron-electron resonance (DEER) electron paramagnetic resonance spectroscopy measurements and nuclear magnetic resonance spectroscopy based paramagnetic relaxation enhancement (PRE) measurements. The techniques were demonstrated using the homodimeric protein Dsy0195 from the strictly anaerobic bacterium Desulfitobacterium hafniense Y51. At specific times following mixing site-specific MTSL-labeled Dsy0195 with uniformly 15N-labeled Dsy0195, the extent of exchange was determined either by monitoring the decrease of MTSL-labeled homodimer from the decay of the DEER modulation depth or by quantifying the increase of MTSL-labeled/15N-labeled heterodimer using PREs. Repeated measurements at several time points following mixing enabled determination of the homodimer subunit dissociation rate constant, k−1;, which was 0.037 ± 0.005 min−1 derived from DEER experiments with a corresponding half-life time of 18.7 minutes. These numbers agreed with independent measurements obtained from PRE experiments. These methods can be broadly applied to protein-protein and protein-DNA complex studies. PMID:23180051

Thermoelectricity in transition metal compounds: The role of spin disorder

DOE PAGES

Gorai, Prashun; Toberer, Eric S.; Stevanović, Vladan

2016-11-01

Here, at room temperature and above, most magnetic materials adopt a spin-disordered (paramagnetic) state whose electronic properties can differ significantly from their low-temperature, spin-ordered counterparts. Yet computational searches for new functional materials usually assume some type of magnetic order. In the present work, we demonstrate a methodology to incorporate spin disorder in computational searches and predict the electronic properties of the paramagnetic phase. We implement this method in a high-throughput framework to assess the potential for thermoelectric performance of 1350 transition-metal sulfides and find that all magnetic systems we identify as promising in the spin-ordered ground state cease to bemore » promising in the paramagnetic phase due to disorder-induced deterioration of the charge carrier transport properties. We also identify promising non-magnetic candidates that do not suffer from these spin disorder effects. In addition to identifying promising materials, our results offer insights into the apparent scarcity of magnetic systems among known thermoelectrics and highlight the importance of including spin disorder in computational searches.« less

EPR imaging and HPLC characterization of the pigment-based organic free radical in black soybean seeds.

PubMed

Nakagawa, Kouichi; Maeda, Hayato

2017-02-01

We investigated the location and distribution of paramagnetic species in dry black, brown, and yellow (normal) soybean seeds using electron paramagnetic resonance (EPR), X-band (9 GHz) EPR imaging (EPRI), and HPLC. EPR primarily detected two paramagnetic species in black soybean. These two different radical species were assigned as stable organic radical and Mn 2+  species based on the g values and hyperfine structures. The signal from the stable radical was noted at g ≈ 2.00 and was relatively strong and stable. Subsequent noninvasive two-dimensional (2D) EPRI of the radical present in black soybean revealed that the stable radical was primarily located in the pigmented region of the soybean coat, with very few radicals observed in the soybean cotyledon (interior). Pigments extracted from black soybean were analyzed using HPLC. The major compound was found to be cyanidin-3-glucoside. Multi-EPR and HPLC results indicate that the stable radical was only found within the pigmented region of the soybean coat, and it could be cyanidin-3-glucoside or an oxidative decomposition product.

Evolution of Triplet Paramagnetic Centers in Diamonds Obtained by Sintering of Detonation Nanodiamonds at High Pressure and Temperature

NASA Astrophysics Data System (ADS)

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

2018-04-01

The electron paramagnetic resonance (EPR) spectra of triplet centers in detonation nanodiamonds (DNDs) and diamond single crystals of submicrometer size, synthesized from those DNDs at high pressures and temperatures, are studied. In the EPR spectra of DNDs, signals from negatively charged nitrogen- vacancy centers (NV)/sup(-) with a g factor of g 1 = 4.24 and multivacancies with g 2 = 4.00 are observed. The signals from (NV)/sup(-) centers disappear in the spectra of diamond single crystals, and a quintet signal with g = 4.00 is detected at the position of the signal from multivacancies. Analysis of the shape and position of the quintet' lines showed that this ESR signal is due to the pairs of nitrogen substitution centers in diamond, separated from each other by distances not exceeding 0.7 nm, between which a strong exchange interaction takes place. A comparison of the experimental data and the simulation results allows determining the spin-Hamiltonian parameters of the exchange-coupled pairs of paramagnetic impurity nitrogen atoms.

300 MHz continuous wave electron paramagnetic resonance spectrometer for small animal in vivo imaging

NASA Astrophysics Data System (ADS)

Koscielniak, J.; Devasahayam, N.; Moni, M. S.; Kuppusamy, P.; Yamada, K.; Mitchell, J. B.; Krishna, M. C.; Subramanian, S.

2000-11-01

Design and construction of an electron paramagnetic resonance (EPR) spectrometer, operating in the continuous wave mode in the radio frequency (rf) region, and capable of performing spectroscopy and in vivo imaging of paramagnetic spin probes is described. A resonant frequency of 300 MHz was chosen to provide the required sensitivity at nontoxic levels of commonly used spin probes and penetration of the rf in small animals. Three major components, the magnet, the radio frequency signal detection bridge, and the data acquisition module are described in this article. Integration of a rapid scan capability to reduce imaging time is also described. Two- and three-dimensional EPR images of the spin probe distribution in phantom objects as well as from in vivo experiments are reported. From the EPR images, morphology of some internal organs could be recognized. EPR images of the spin probe distribution in mice suggest differences in perfusion of the spin probe between normal and tumor regions. Addition of a spectral dimension to spatial images should enable differentiation of oxygen status in normal and pathological conditions.

Hierarchical mean-field approach to the J1-J2 Heisenberg model on a square lattice

NASA Astrophysics Data System (ADS)

Isaev, L.; Ortiz, G.; Dukelsky, J.

2009-01-01

We study the quantum phase diagram and excitation spectrum of the frustrated J1-J2 spin-1/2 Heisenberg Hamiltonian. A hierarchical mean-field approach, at the heart of which lies the idea of identifying relevant degrees of freedom, is developed. Thus, by performing educated, manifestly symmetry-preserving mean-field approximations, we unveil fundamental properties of the system. We then compare various coverings of the square lattice with plaquettes, dimers, and other degrees of freedom, and show that only the symmetric plaquette covering, which reproduces the original Bravais lattice, leads to the known phase diagram. The intermediate quantum paramagnetic phase is shown to be a (singlet) plaquette crystal, connected with the neighboring Néel phase by a continuous phase transition. We also introduce fluctuations around the hierarchical mean-field solutions, and demonstrate that in the paramagnetic phase the ground and first excited states are separated by a finite gap, which closes in the Néel and columnar phases. Our results suggest that the quantum phase transition between Néel and paramagnetic phases can be properly described within the Ginzburg-Landau-Wilson paradigm.

Hierarchical mean-field approach to the J1-J2 Heisenberg model on a square lattice

NASA Astrophysics Data System (ADS)

Isaev, Leonid; Ortiz, Gerardo; Dukelsky, Jorge

2009-03-01

We study the quantum phase diagram and excitation spectrum of the frustrated J1-J2 spin-1/2 Heisenberg Hamiltonian. A hierarchical mean-field approach, at the heart of which lies the idea of identifying relevant degrees of freedom, is developed. Thus, by performing educated, manifestly symmetry preserving mean-field approximations, we unveil fundamental properties of the system. We then compare various coverings of the square lattice with plaquettes, dimers and other degrees of freedom, and show that only the symmetric plaquette covering, which reproduces the original Bravais lattice, leads to the known phase diagram. The intermediate quantum paramagnetic phase is shown to be a (singlet) plaquette crystal, connected with the neighbouring N'eel phase by a continuous phase transition. We also introduce fluctuations around the hierarchical mean-field solutions, and demonstrate that in the paramagnetic phase the ground and first excited states are separated by a finite gap, which closes in the N'eel and columnar phases. Our results suggest that the quantum phase transition between N'eel and paramagnetic phases can be properly described within the Ginzburg-Landau-Wilson paradigm.

Electron paramagnetic resonance (EPR) spectroscopy characterization of wheat grains from plants of different water stress tolerance.

PubMed

Łabanowska, Maria; Filek, Maria; Kurdziel, Magdalena; Bednarska, Elżbieta; Dłubacz, Aleksandra; Hartikainen, Helina

2012-09-01

Grains of five genotypes of wheat (four Polish and one Finnish), differing in their tolerance to drought stress were chosen for this investigation. Electron paramagnetic resonance spectroscopy allowed observation of transition metal ions (Mn, Fe, Cu) and different types of stable radicals, including semiquinone centers, present in seed coats, as well as several types of carbohydrate radicals found mainly in the inner parts of grains. The content of paramagnetic metal centers was higher in sensitive genotypes (Radunia, Raweta) than in tolerant ones (Parabola, Nawra), whereas the Finnish genotype (Manu) exhibited intermediate amounts. Similarly, the concentrations of both types of radicals, carbohydrates and semiquinone were significantly higher in the grains originating from more sensitive wheat genotypes. The nature of carbohydrate radicals and their concentrations were confronted with the kinds and amounts of sugars found by the biochemical analyses and microscopy observations. It is suggested that some long lived radicals (semiquinone and starch radicals) occurring in grains could be indicators of stress resistance of wheat plants. Copyright © 2012 Elsevier GmbH. All rights reserved.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kharkovskiy, A. I., E-mail: akharkovskiy@inbox.ru; L.F. Vereshchagin Institute for High Pressure Physics RAS, 142190 Troitsk, Moscow; Shaldin, Yu. V.

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-likemore » 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.« less

[Isolation and culture of bovine choriocapillary endothelial cells using paramagnetic beads coated with Lycopersicon esculentum].

PubMed

Swiech-Zubilewicz, A; Soubrane, G; Mascarelli, F

2000-01-01

To establish a pure culture of choriocapillary endothelial cells as a model of angiogenesis in vitro. Bovine choriocapillary endothelial cells (BCEC) were obtained by the method described by Hoffmann et al. (6) using the polystyrene paramagnetic beads coated with Lycopersicon esculentum, which attach specifically to the rest of fucose on the surface of microvascular endothelial cells. The endothelial characteristic of the cultured cells was evaluated by immunocytochemistry using anti von Willebrand factor and anti-CD 31 antibodies. Proliferation and survival of BCEC were tested using haemacytometer of Mallasez. The purity of obtained BCEC culture was confirmed by positive immunocytochemical staining with anti von Willebrand and anti factor CD 31 antibodies in more than 95% of cells. The proliferation of cells in Endothelial Cell Medium resulted in twofold increase of number of cells during 4-day observation period. After reaching the confluence, the cells continued to proliferate with increase of the cell number by 60% during 4-day observation. The use of paramagnetic beads coated with specific lectine provide a pure isolation of BCEC, which can be maintained in culture with preservation of their characteristic.

Nitrogen-vacancy-assisted magnetometry of paramagnetic centers in an individual diamond nanocrystal.

PubMed

Laraoui, Abdelghani; Hodges, Jonathan S; Meriles, Carlos A

2012-07-11

Semiconductor nanoparticles host a number of paramagnetic point defects and impurities, many of them adjacent to the surface, whose response to external stimuli could help probe the complex dynamics of the particle and its local, nanoscale environment. Here, we use optically detected magnetic resonance in a nitrogen-vacancy (NV) center within an individual diamond nanocrystal to investigate the composition and spin dynamics of the particle-hosted spin bath. For the present sample, a ∼45 nm diamond crystal, NV-assisted dark-spin spectroscopy reveals the presence of nitrogen donors and a second, yet-unidentified class of paramagnetic centers. Both groups share a common spin lifetime considerably shorter than that observed for the NV spin, suggesting some form of spatial clustering, possibly on the nanoparticle surface. Using double spin resonance and dynamical decoupling, we also demonstrate control of the combined NV center-spin bath dynamics and attain NV coherence lifetimes comparable to those reported for bulk, Type Ib samples. Extensions based on the experiments presented herein hold promise for applications in nanoscale magnetic sensing, biomedical labeling, and imaging.

A fluorescent paramagnetic Mn metal–organic framework based on semi-rigid pyrene tetra­carboxylic acid: sensing of solvent polarity and explosive nitroaromatics

PubMed Central

Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha

2015-01-01

An Mn metal–organic framework (Mn-MOF), Mn-L, based on a pyrene-tetraacid linker (H4 L), displays a respectable fluorescence quantum yield of 8.3% in spite of the presence of the paramagnetic metal ions, due presumably to fixation of the metal ions in geometries that do not allow complete energy/charge-transfer quenching. Remarkably, the porous Mn-L MOF with ∼25% solvent-accessible volume exhibits a heretofore unprecedented solvent-dependent fluorescence emission maximum, permitting its use as a probe of solvent polarity; the emission maxima in different solvents correlate excellently with Reichardt’s solvent polarity parameter (E T N). Further, the applicability of Mn-L to the sensing of nitroaromatics via fluorescence quenching is demonstrated; the detection limit for TNT is shown to be 125 p.p.m. The results bring out the fact that MOFs based on paramagnetic metal ions can indeed find application when the quenching mechanisms are attenuated by certain geometries of the organic linkers of the MOF. PMID:26306197

Paramagnetic ionic liquids for measurements of density using magnetic levitation.

PubMed

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.

A fluorescent paramagnetic Mn metal-organic framework based on semi-rigid pyrene tetra-carboxylic acid: sensing of solvent polarity and explosive nitroaromatics.

PubMed

Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha

2015-09-01

An Mn metal-organic framework (Mn-MOF), Mn-L, based on a pyrene-tetraacid linker (H4 L), displays a respectable fluorescence quantum yield of 8.3% in spite of the presence of the paramagnetic metal ions, due presumably to fixation of the metal ions in geometries that do not allow complete energy/charge-transfer quenching. Remarkably, the porous Mn-L MOF with ∼25% solvent-accessible volume exhibits a heretofore unprecedented solvent-dependent fluorescence emission maximum, permitting its use as a probe of solvent polarity; the emission maxima in different solvents correlate excellently with Reichardt's solvent polarity parameter (E T (N)). Further, the applicability of Mn-L to the sensing of nitroaromatics via fluorescence quenching is demonstrated; the detection limit for TNT is shown to be 125 p.p.m. The results bring out the fact that MOFs based on paramagnetic metal ions can indeed find application when the quenching mechanisms are attenuated by certain geometries of the organic linkers of the MOF.

Specific features of the EPR spectra of KTaO3: Mn nanopowders

NASA Astrophysics Data System (ADS)

Golovina, I. S.; Shanina, B. D.; Geifman, I. N.; Andriiko, A. A.; Chernenko, L. V.

2012-03-01

The electron paramagnetic resonance spectra of KTaO3: Mn nanocrystalline powders in the temperature range from 77 to 620 K have been measured and studied for the first time. The change observed in the spectra has been investigated as a function of the doping level. The doping regions in which Mn2+ ions are individual paramagnetic impurities have been established, as well as the regions where the dipole-dipole and exchange interactions of these ions begin to occur. The spin-Hamiltonian constants for the spectrum of non-interacting individual Mn2+ ions have been determined as follows: g = 2.0022, D = 0.0170 cm-1, and A = 85 × 10-4 cm-1. A significant decrease in the axial constant D in the KTaO3: Mn nanopowder, as compared to the single crystal, has been explained by the remoteness of the charge compensator from the paramagnetic ion and by the influence of the surface of the nanoparticle. It has been assumed that the Mn2+ ions are located near the surface and do not penetrate deep into the crystallites.

Anisotropy reversal of the upper critical field at low temperatures and spin-locked superconductivity in K 2 Cr 3 As 3

DOE PAGES

Balakirev, F. F.; Kong, T.; Jaime, M.; ...

2015-06-23

We report measurements of the anisotropic upper critical field H c2(T) for K 2Cr 3As 3 single crystals up to 60 T and T>0.6K. Our results show that the upper critical field parallel to the Cr chains, H ∥ c2(T), exhibits a paramagnetically limited behavior, whereas the shape of the H ⊥ c2(T) curve (perpendicular to the Cr chains) has no evidence of paramagnetic effects. As a result, the curves H ⊥ c2(T) and H ∥ c2(T) cross at T≈4K, so that the anisotropy parameter γ H(T)=H ⊥ c2/H ∥ c2(T) increases from γ H(T c)≈0.35 near T c tomore » γ H(0)≈1.7 at 0.6 K. The paramagnetically limited behavior of H ∥ c2(T) is inconsistent with triplet superconductivity but suggests a form of singlet superconductivity with the electron spins locked onto the direction of Cr chains.« less

The Microscopic Magnetic Properties of W-type Hexaferrite Powder Prepared by A Sol-Gel Route

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jotania, Rajshree; Chauhan, Chetna; Sharma, Pooja

2010-12-01

Magnetic particles of W-type barium-calcium hexaferrite (BaCa{sub 2}Fe{sub 16}O{sub 27}) have been synthesized using a Stearic acid gel route. The gel precursors were dried at 100 deg. C for 2 hrs and then calcinated at 650 deg. C, 750 deg. C, 850 deg. C and 950 deg. C for 4 hrs in a furnace and slowly cooled to room temperature in order to obtain barium-calcium hexaferrite particles. The microscopic magnetic properties of prepared samples studying using Moessbauer spectroscopy. Moessbauer spectra of all samples were recorded at room temperature. Mossbauer parameters like Isomer shift, Quadruple splitting etc. were calculated with respectmore » to iron foil. Barium calcium hexaferrite samples heated at 650 deg. C, 750 deg. C, 850 deg. C show relaxation type Moessbauer spectra along with paramagnetic doublet. The intensity of paramagnetic doublet increases with temperature confirm the presence of ferrous ions in the samples, where as sample calcinated at 950 deg. C confirm the presence of ferrimagnetic phase with partial super paramagnetic nature of prepared hexaferrite sample.« less

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

NASA Astrophysics Data System (ADS)

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

2016-05-01

A key limitation of electron paramagnetic resonance (EPR), an established and powerful tool for studying atomic-scale biomolecular structure and dynamics is its poor sensitivity, samples containing in excess of 10^12 labeled biomolecules are required in typical experiments. In contrast, single molecule measurements provide improved insights into heterogeneous behaviors that can be masked by ensemble measurements and are often essential for illuminating the molecular mechanisms behind the function of a biomolecule. We report EPR measurements of a single labeled biomolecule that merge these two powerful techniques. We selectively label an individual double-stranded DNA molecule with a single nanodiamond containing nitrogen-vacancy (NV) centers, and optically detect the paramagnetic resonance of NV spins in the nanodiamond probe. Analysis of the spectrum reveals that the nanodiamond probe has complete rotational freedom and that the characteristic time scale for reorientation of the nanodiamond probe is slow compared to 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.

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

PubMed Central

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

Electron Spin Polarization Transfer to ortho-H2 by Interaction of para-H2 with Paramagnetic Species: A Key to a Novel para → ortho Conversion Mechanism.

PubMed

Terenzi, Camilla; Bouguet-Bonnet, Sabine; Canet, Daniel

2015-05-07

We report that at ambient temperature and with 100% enriched para-hydrogen (p-H2) dissolved in organic solvents, paramagnetic spin catalysis of para → ortho hydrogen conversion is accompanied at the onset by a negative ortho-hydrogen (o-H2) proton NMR signal. This novel finding indicates an electron spin polarization transfer, and we show here that this can only occur if the H2 molecule is dissociated upon its transient adsorption by the paramagnetic catalyst. Following desorption, o-H2 is created until the thermodynamic equilibrium is reached. A simple theory confirms that in the presence of a static magnetic field, the hyperfine coupling between unpaired electrons and nuclear spins is responsible for the observed polarization transfer. Owing to the negative electron gyromagnetic ratio, this explains the experimental results and ascertains an as yet unexplored mechanism for para → ortho conversion. Finally, we show that the recovery of o-H2 magnetization toward equilibrium can be simply modeled, leading to the para → ortho conversion rate.

X-band Electron Paramagnetic Resonance Investigation of Stable Organic Radicals Present under Cold Stratification in 'Fuji' Apple Seeds.

PubMed

Nakagawa, Kouichi; Matsumoto, Kazuhiro; Chaiserm, Nattakan; Priprem, Aroonsri

2017-01-01

We investigated stable organic radicals formed in response to cold stratification in 'Fuji' apple seeds using X-band (9 GHz) electron paramagnetic resonance (EPR) technique. This technique primarily detected two paramagnetic species in each seed. These two different radical species were assigned as a stable organic radical and Mn 2+ species based on the g values and hyperfine components. Signal from the stable radicals was noted at a g value of about 2.00 and was strong and relatively stable. Significant radical intensity changes were observed in apple seeds on refrigeration along with water supplementation. The strongest radical intensity and a very weak Mn 2+ signal were also observed for the seeds kept in moisture-containing sand in a refrigerator. Noninvasive EPR of the radicals present in each seed revealed that the stable radicals were located primarily in the seed coat. These results indicate that the significant radical intensity changes in apple seeds under refrigeration for at least 90 days followed by water supplementation for one week, can be related to cold stratification of the seeds.

Thin chitosan films containing super-paramagnetic nanoparticles with contrasting capability in magnetic resonance imaging.

PubMed

Farjadian, Fatemeh; Moradi, Sahar; Hosseini, Majid

2017-03-01

Magnetic nanoparticles have found application as MRI contrasting agents. Herein, chitosan thin films containing super-paramagnetic iron oxide nanoparticles (SPIONs) are evaluated in magnetic resonance imaging (MRI). To determine their contrasting capability, super-paramagnetic nanoparticles coated with citrate (SPIONs-cit) were synthesized. Then, chitosan thin films with different concentrations of SPIONs-cit were prepared and their MRI data (i.e., r 2 and r 2 *) was evaluated in an aqueous medium. The synthesized SPIONs-cit and chitosan/SPIONs-cit films were characterized by FTIR, EDX, XRD as well as VSM with the morphology evaluated by SEM and AFM. The nanoparticle sizes and distribution confirmed well-defined nanoparticles and thin films formation along with high contrasting capability in MRI. Images revealed well-dispersed uniform nanoparticles, averaging 10 nm in size. SPIONs-cit's hydrodynamic size averaged 23 nm in diameter. The crystallinity obeyed a chitosan and SPIONs pattern. The in vitro cellular assay of thin films with a novel route was performed within Hek293 cell lines showing that thin films can be biocompatible.

Observation of superconductivity in BaNb2S5

NASA Astrophysics Data System (ADS)

Smith, M. G.; Neumeier, J. J.

2018-06-01

Bulk superconductivity is reported in BaNb2S5 at the transition temperature Tc = 0.85(1) K. The electrical resistivity ρ versus T is metallic with ρ(2 K) = 42.4 μΩ cm. The magnetic susceptibility is paramagnetic, with temperature-independent contributions due to diamagnetism, Pauli paramagnetism, and Van Vleck paramagnetism; a Curie-Weiss contribution appears to be impurity related. Hall effect measurements show that the majority charge carriers are electrons with charge-carrier concentration n(3 K) = 2.40(2) × 1021 cm-3. Specific heat measurements reveal an electronic specific heat coefficient γ = 11.2(1) mJ/mol K2, a Debye temperature ΘD = 126.4(8) K, and an energy gap associated with the superconducting state of Eg = 0.184(4) meV. Measurements of ρ(T) in magnetic field provide the upper critical magnetic field of about 3055(74) Oe as T → 0 K, which was used to estimate the coherence length ξ = 6.21(15) nm. The results allow classification of BaNb2S5 as a Type II, BCS superconductor in the dirty limit.

Demetalation of Fe, Mn, and Cu chelates and complexes: application to the NMR analysis of micronutrient fertilizers.

PubMed

López-Rayo, Sandra; Lucena, Juan J; Laghi, Luca; Cremonini, Mauro A

2011-12-28

The application of nuclear magnetic resonance (NMR) for the quality control of fertilizers based on Fe(3+), Mn(2+), and Cu(2+) chelates and complexes is precluded by the strong paramagnetism of metals. Recently, a method based on the use of ferrocyanide has been described to remove iron from commercial iron chelates based on the o,o-EDDHA [ethylenediamine-N,N'bis(2-hydroxyphenylacetic)acid] chelating agent for their analysis and quantification by NMR. The present work extended that procedure to other paramagnetic ions, manganese and copper, and other chelating, EDTA (ethylenediaminetetraacetic acid), IDHA [N-(1,2-dicarboxyethyl)-d,l-aspartic acid], and complexing agents, gluconate and heptagluconate. Results showed that the removal of the paramagnetic ions was complete, allowing us to obtain (1)H NMR spectra characterized by narrow peaks. The quantification of the ligands by NMR and high-performance liquid chromatography showed that their complete recovery was granted. The NMR analysis enabled detection and quantification of unknown impurities without the need of pure compounds as internal standards.

Probing the Dipolar Coupling in a Heterospin Endohedral Fullerene-Phthalocyanine Dyad.

PubMed

Zhou, Shen; Yamamoto, Masanori; Briggs, G Andrew D; Imahori, Hiroshi; Porfyrakis, Kyriakos

2016-02-03

Paramagnetic endohedral fullerenes and phthalocyanine (Pc) complexes are promising building blocks for molecular quantum information processing, for which tunable dipolar coupling is required. We have linked these two spin qubit candidates together and characterized the resulting electron paramagnetic resonance properties, including the spin dipolar coupling between the fullerene spin and the copper spin. Having interpreted the distance-dependent coupling strength quantitatively and further discussed the antiferromagnetic aggregation effect of the CuPc moieties, we demonstrate two ways of tuning the dipolar coupling in such dyad systems: changing the spacer group and adjusting the solution concentration.

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

NASA Astrophysics Data System (ADS)

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.

Selective photoswitching of the binuclear spin crossover compound {[Fe(bt)(NCS)2]2(bpm)} into two distinct macroscopic phases.

PubMed

Moussa, N Ould; Molnár, G; Bonhommeau, S; Zwick, A; Mouri, S; Tanaka, K; Real, J A; Bousseksou, A

2005-03-18

The low-spin (LS-LS, S = 0) diamagnetic form of the binuclear spin crossover complex {[Fe(bt)(NCS)(2)](2)(bpm)} was selectively photoconverted into two distinct macroscopic phases at different excitation wavelengths (1342 or 647.1 nm). These long-lived metastable phases have been identified, respectively, as the symmetry-broken paramagnetic form (HS-LS, S = 2) and the antiferromagnetically coupled (HS-HS, S = 0) high-spin form of the compound. The selectivity may be explained by the strong coupling of the primary excited states to the paramagnetic state.

Structure of dysprosium(111) dl-tartrate dimer in aqueous solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chevela, V.V.; Vulfson, S.G.; Salnikov, Y.I.

1994-10-01

The paramagnetic birefringence method was supplemented by numerical simulation to determine the molar paramagnetic-birefringence constant of the dysprosium dl-tartrate dimer Dy{sub 2}(d-L)(l-L){sup 2-} (I), where d-L{sup 4-} and l-L{sup 4-} are the deprotonated d- and l-tartaric acid molecules, respectively. The structure of the ligand and hydration surroundings of I was modeled by molecular mechanic calculations (the Dashevskii-Pylamovatyi model). It is shown that adequate results can be obtained only if one takes into account the coordination of I to the Na{sup +} ion.

Combined optical/MCD/ODMR investigations of photochromism in doubly-doped Bi12GeO20

NASA Astrophysics Data System (ADS)

Briat, B.; Borowiec, M. T.; Rjeily, H. B.; Ramaz, F.; Hamri, A.; Szymczak, H.

Electron paramagnetic resonance is detected optically via the change of magnetic circular dichroism under microwaves at 35 GHz. The technique is applied to Bi12GeO20 samples co-doped with vanadium and a second transition metal (Cr, Mn, Co, Cu). The optical and magnetic properties of several paramagnetic defects (V-Ge(4+) and Cr-Ge(4+)) are directly correlated. The basic photochromic processes occuring in samples doped with V, Mn, and Mn+V are explained. The V-Ge(4+/5+) level is positioned roughly 2.2 eV above the valence band.

Magnetic refrigeration apparatus with belt of ferro or paramagnetic material

DOEpatents

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.

Magnetic refrigeration apparatus with belt of ferro or paramagnetic material

DOEpatents

Barclay, J.A.; Stewart, W.F.; Henke, M.D.; Kalash, K.E.

1986-04-03

A magnetic refrigerator operating in the 12 to 77 K 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.

Facile synthesis and paramagnetic properties of Fe3O4@SiO2 core-shell nanoparticles

NASA Astrophysics Data System (ADS)

Yang, Lili; Zou, Ping; Cao, Jian; Sun, Yunfei; Han, Donglai; Yang, Shuo; Chen, Gang; Kong, Xiangwang; Yang, Jinghai

2014-12-01

The Fe3O4@SiO2 core-shell nanoparticles (NPs) had been successfully fabricated via direct decomposition of tetraethyl orthosilicate (TEOS) in solution under the presence of as-synthesized Fe3O4 NPs prepared by chemical coprecipitation method. The structure and magnetic properties of Fe3O4@SiO2 NPs were characterized and the result indicated that Fe3O4@SiO2 NPs are about 12 nm in size with paramagnetic property. The possible growth and magnetic mechanism was discussed in detail.

The tight binding model study of the role of band filling on the charge gap in graphene-on-substrate in paramagnetic state

NASA Astrophysics Data System (ADS)

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 [ < na > -< nb > ] is calculated and computed numerically. The results are reported.

Single-aliquot EPR dosimetry of wallboard (drywall).

PubMed

Mistry, R; Thompson, J W; Boreham, D R; Rink, W J

2011-11-01

Electron paramagnetic resonance spectra and dose-response curves are presented for a variety of wallboard samples obtained from different manufacturing facilities, as well as for source gypsum and anhydrite. The intensity of the CO(3)(-) paramagnetic centre (G2) is enhanced with gamma radiation. Isothermal decay curves are used to propose annealing methods for the removal of the radiosensitive CO(3)(-) radical without affecting the unirradiated baseline. Post-irradiation annealing of wallboard prevents recuperation of the radiosensitive CO(3)(-) radical with additional irradiation. A single-aliquot additive dose procedure is developed that successfully measures test doses as low as 0.76 Gy.

Oxygen-17 NMR Shifts Caused by Cr{Sup ++} in Aqueous Solutions

DOE R&D Accomplishments Database

Jackson, J. A.; Lemons, J. F.; Taube, H.

1962-01-01

Cr{sup ++} in solution produces a paramagnetic shift in the NMR absorption of O{sup 17} in ClO{sub 4}{sup -}, as well as the expected paramagnetic shift for O{sup 17} in H{sub 2}O. As the concentration of ClO{sub 4}{sup -} increases, the shift in the H{sub 2}O{sup 17} absorption is diminished, and eventually changes sign. The effects are ascribed to preferential replacement by ClO{sub 4}{sup -} of water molecules from the axial positions in the first coordination sphere about Cr{sup ++}.

[Amelanotic melanoma and nuclear magnetic resonance tomography--case report].

PubMed

Schilling, A; Seiler, T; Bende, T; Wollensak, J

1989-01-01

In MRI choroidal melanoma shows a very short relaxation time (T2), shorter than that of any other intraocular tumor. This short T2 time is referred to the high concentration of paramagnetic melanine in this tumor. Therefore, it is of interest to measure the relaxation time in an amelanotic melanoma and compare it with the histological analysis. The duration of T2 for the amelanotic melanoma examined ranged from 130 to 160 ms. The small concentration of melanine is not a sufficient explanation, but it is possible that there are some precursors of melanine with paramagnetic characteristics.

Paramagnetic particles coupled with an automated flow injection analysis as a tool for influenza viral protein detection.

PubMed

Krejcova, Ludmila; Dospivova, Dana; Ryvolova, Marketa; Kopel, Pavel; Hynek, David; Krizkova, Sona; Hubalek, Jaromir; Adam, Vojtech; Kizek, Rene

2012-11-01

Currently, the influenza virus infects millions of individuals every year. Since the influenza virus represents one of the greatest threats, it is necessary to develop a diagnostic technique that can quickly, inexpensively, and accurately detect the virus to effectively treat and control seasonal and pandemic strains. This study presents an alternative to current detection methods. The flow-injection analysis-based biosensor, which can rapidly and economically analyze a wide panel of influenza virus strains by using paramagnetic particles modified with glycan, can selectively bind to specific viral A/H5N1/Vietnam/1203/2004 protein-labeled quantum dots. Optimized detection of cadmium sulfide quantum dots (CdS QDs)-protein complexes connected to paramagnetic microbeads was performed using differential pulse voltammetry on the surface of a hanging mercury drop electrode (HMDE) and/or glassy carbon electrode (GCE). Detection limit (3 S/N) estimations based on cadmium(II) ions quantification were 0.1 μg/mL or 10 μg/mL viral protein at HMDE or GCE, respectively. Viral protein detection was directly determined using differential pulse voltammetry Brdicka reaction. The limit detection (3 S/N) of viral protein was estimated as 0.1 μg/mL. Streptavidin-modified paramagnetic particles were mixed with biotinylated selective glycan to modify their surfaces. Under optimized conditions (250 μg/mL of glycan, 30-min long interaction with viral protein, 25°C and 400 rpm), the viral protein labeled with quantum dots was selectively isolated and its cadmium(II) content was determined. Cadmium was present in detectable amounts of 10 ng per mg of protein. Using this method, submicrogram concentrations of viral proteins can be identified. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Detection of Redox Imbalance in Normal Lymphocytes with Induced Mitochondrial Dysfunction - EPR Study.

PubMed

Georgieva, Ekaterina; Zhelev, Zhivko; Aoki, Ichio; Bakalova, Rumiana; Higashi, Tatsuya

2016-10-01

The present study describes a new approach for direct imaging of redox status in live cells using paramagnetic spin-probes, which allows evaluation of the level of oxidative stress due to overproduction of superoxide. The method is based on redox cycling of cell/mitochondria-penetrating nitroxide radicals (e.g. mito-TEMPO) and their electron-paramagnetic resonance (EPR) contrast, which makes them useful molecular sensors for analysis of redox status and oxidative stress in cells and tissues. Oxidative stress was induced in normal human lymphocytes by treatment with 2-methoxyestradiol and rotenone (ME/Rot) at different concentrations. This combination provokes mitochondrial dysfunction, which is accompanied by overproduction of superoxide. The EPR measurements were performed in dynamics on X-Band spectrometer after addition of mito-TEMPO to cell suspensions. The intensity of the EPR signal in untreated cells decreased significantly, which indicates a conversion of paramagnetic mito-TEMPO to its non-contrast diamagnetic form (hydroxylamine - mito-TEMPOH) due to reduction. In ME/Rot-treated cells, the signal decreased more slowly and to a lower level with increasing the concentration of ME/Rot. These data indicate an induction of oxidative stress in the cells in a concentration-dependent manner. A very good positive correlation between the intensity of EPR signal of mito-TEMPO and the intracellular level of superoxide was found, analyzed by conventional dihydroethidium test (R=0.9143, p<0.001). In conclusion, our study demonstrated that cell-penetrating paramagnetic spin-probes, such as mito-TEMPO, are valuable tools for EPR imaging of the superoxide level in live cells, as well as for EPR imaging of mitochondrial dysfunction and metabolic activity, accompanied by superoxide imbalance. Copyright© 2016 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.

Elucidating the design principles of photosynthetic electron-transfer proteins by site-directed spin labeling EPR spectroscopy.

PubMed

Ishara Silva, K; Jagannathan, Bharat; Golbeck, John H; Lakshmi, K V

2016-05-01

Site-directed spin labeling electron paramagnetic resonance (SDSL EPR) spectroscopy is a powerful tool to determine solvent accessibility, side-chain dynamics, and inter-spin distances at specific sites in biological macromolecules. This information provides important insights into the structure and dynamics of both natural and designed proteins and protein complexes. Here, we discuss the application of SDSL EPR spectroscopy in probing the charge-transfer cofactors in photosynthetic reaction centers (RC) such as photosystem I (PSI) and the bacterial reaction center (bRC). Photosynthetic RCs are large multi-subunit proteins (molecular weight≥300 kDa) that perform light-driven charge transfer reactions in photosynthesis. These reactions are carried out by cofactors that are paramagnetic in one of their oxidation states. This renders the RCs unsuitable for conventional nuclear magnetic resonance spectroscopy investigations. However, the presence of native paramagnetic centers and the ability to covalently attach site-directed spin labels in RCs makes them ideally suited for the application of SDSL EPR spectroscopy. The paramagnetic centers serve as probes of conformational changes, dynamics of subunit assembly, and the relative motion of cofactors and peptide subunits. In this review, we describe novel applications of SDSL EPR spectroscopy for elucidating the effects of local structure and dynamics on the electron-transfer cofactors of photosynthetic RCs. Because SDSL EPR Spectroscopy is uniquely suited to provide dynamic information on protein motion, it is a particularly useful method in the engineering and analysis of designed electron transfer proteins and protein networks. This article is part of a Special Issue entitled Biodesign for Bioenergetics--the design and engineering of electronic transfer cofactors, proteins and protein networks, edited by Ronald L. Koder and J.L. Ross Anderson. Copyright © 2016. Published by Elsevier B.V.

Paramagnetic alignment of small grains: A novel method for measuring interstellar magnetic fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoang, Thiem; Martin, P. G.; Lazarian, A.

2014-07-20

We present a novel method to measure the strength of interstellar magnetic fields using ultraviolet (UV) polarization of starlight that is in part produced by weakly aligned, small dust grains. We begin with calculating the degrees of the paramagnetic alignment of small (size a ∼ 0.01 μm) and very small (a ∼ 0.001 μm) grains in the interstellar magnetic field due to the Davis-Greenstein relaxation and resonance relaxation. To calculate the degrees of paramagnetic alignment, we use Langevin equations and take into account various interaction processes essential for the rotational dynamics of small grains. We find that the alignment ofmore » small grains is necessary to reproduce the observed polarization in the UV, although the polarization arising from these small grains is negligible at the optical and infrared (IR) wavelengths. Based on fitting theoretical models to observed extinction and polarization curves, we find that the best-fit model for the case with the peak wavelength of polarization λ{sub max} < 0.55 μm requires a higher degree of alignment of small grains than for the typical case with λ{sub max} = 0.55 μm. We interpret the correlation between the systematic increase of the UV polarization relative to maximum polarization (i.e., of p(6 μm{sup –1})/p{sub max}) with λ{sub max}{sup −1} for cases of low λ{sub max} by appealing to the higher degree of alignment of small grains. We utilize the correlation of the paramagnetic alignment of small grains with the magnetic field strength B to suggest a new way to measure B using the observable parameters λ{sub max} and p(6 μm{sup –1})/p{sub max}.« less

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

PubMed

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anitha, B.; Khadar, M. Abdul, E-mail: mabdulkhadar@rediffmail.com; Banerjee, Alok

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.more » 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.« less

Combining Step Gradients and Linear Gradients in Density.

PubMed

Kumar, Ashok A; Walz, Jenna A; Gonidec, Mathieu; Mace, Charles R; Whitesides, George M

2015-06-16

Combining aqueous multiphase systems (AMPS) and magnetic levitation (MagLev) provides a method to produce hybrid gradients in apparent density. AMPS—solutions of different polymers, salts, or surfactants that spontaneously separate into immiscible but predominantly aqueous phases—offer thermodynamically stable steps in density that can be tuned by the concentration of solutes. MagLev—the levitation of diamagnetic objects in a paramagnetic fluid within a magnetic field gradient—can be arranged to provide a near-linear gradient in effective density where the height of a levitating object above the surface of the magnet corresponds to its density; the strength of the gradient in effective density can be tuned by the choice of paramagnetic salt and its concentrations and by the strength and gradient in the magnetic field. Including paramagnetic salts (e.g., MnSO4 or MnCl2) in AMPS, and placing them in a magnetic field gradient, enables their use as media for MagLev. The potential to create large steps in density with AMPS allows separations of objects across a range of densities. The gradients produced by MagLev provide resolution over a continuous range of densities. By combining these approaches, mixtures of objects with large differences in density can be separated and analyzed simultaneously. Using MagLev to add an effective gradient in density also enables tuning the range of densities captured at an interface of an AMPS by simply changing the position of the container in the magnetic field. Further, by creating AMPS in which phases have different concentrations of paramagnetic ions, the phases can provide different resolutions in density. These results suggest that combining steps in density with gradients in density can enable new classes of separations based on density.

Paramagnetic Defects in Electron-Irradiated Yttria-Stabilized Zirconia: Effect of Yttria Content

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costantini, Jean-Marc; Beuneu, Francois; Morrison-Smith, Sarah

2011-01-01

We have studied the effect of the yttria content on the paramagnetic centres in electron-irradiated yttria-stabilized zirconia (ZrO2: Y3+) or YSZ. Single crystals with 9.5 mol% or 18 mol% Y2O3 were irradiated with electrons of 1.0, 1.5, 2.0 and 2.5 MeV. The paramagnetic centre production was studied by X-band EPR spectroscopy. The same paramagnetic centres were identified for both chemical compositions, namely two electron centres, i.e. i) F+-type centres (involving singly ionized oxygen vacancies), and ii) so-called T centres (Zr3+ in a trigonal symmetry site), and hole-centres. A strong effect is observed on the production of hole-centres which are stronglymore » enhanced when doubling the yttria content. However, no striking effect is found on the electron centres (except the enhancement of an extra line associated to the F+-type centres). It is concluded that hole-centres are produced by inelastic interactions, whereas F+-type centres are produced by elastic collisions with no effect of the yttria content on the defect production rate. In the latter case, the threshold displacement energy (Ed) of oxygen is estimated from the electron-energy dependence of the F+-type centre production rate, with no significant effect of the yttria content on Ed. An Ed value larger than 120 eV is found. Accordingly, classical molecular dynamics (MD) simulations with a Buckingham-type potential show that Ed values for Y and O are likely to be in excess of 200 eV. Due to the difficulty in displacing O or Y atoms, the radiation-induced defects may alternatively be a result of Zr atom displacements for Ed = 80 1 eV with subsequent defect re-arrangement.« less

Interaction of Spin-Labeled Lipid Membranes with Transition Metal Ions

PubMed Central

2015-01-01

The large values of spin relaxation enhancement (RE) for PC spin-labels in the phospholipid membrane induced by paramagnetic metal salts dissolved in the aqueous phase can be explained by Heisenberg spin exchange due to conformational fluctuations of the nitroxide group as a result of membrane fluidity, flexibility of lipid chains, and, possibly, amphiphilic nature of the nitroxide label. Whether the magnetic interaction occurs predominantly via Heisenberg spin exchange (Ni) or by the dipole–dipole (Gd) mechanism, it is essential for the paramagnetic ion to get into close proximity to the nitroxide moiety for efficient RE. For different salts of Ni the RE in phosphatidylcholine membranes follows the anionic Hofmeister series and reflects anion adsorption followed by anion-driven attraction of paramagnetic cations on the choline groups. This adsorption is higher for chaotropic ions, e.g., perchlorate. (A chaotropic agent is a molecule in water solution that can disrupt the hydrogen bonding network between water molecules.) However, there is no anionic dependence of RE for model membranes made from negatively charged lipids devoid of choline groups. We used Ni-induced RE to study the thermodynamics and electrostatics of ion/membrane interactions. We also studied the effect of membrane composition and the phase state on the RE values. In membranes with cholesterol a significant difference is observed between PC labels with nitroxide tethers long enough vs not long enough to reach deep into the membrane hydrophobic core behind the area of fused cholesterol rings. This study indicates one must be cautious in interpreting data obtained by PC labels in fluid membranes in terms of probing membrane properties at different immersion depths when it can be affected by paramagnetic species at the membrane surface. PMID:26490692

Model-free nuclear magnetic resonance study of intermolecular free energy landscapes in liquids with paramagnetic Ln3+ spotlights: theory and application to Arg-Gly-Asp.

PubMed

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

Cryogen-free superconducting magnet system for multifrequency electron paramagnetic resonance up to 12.1 T

NASA Astrophysics Data System (ADS)

Smirnov, Alex I.; Smirnova, Tatyana I.; MacArthur, Ryan L.; Good, Jeremy A.; Hall, Renny

2006-03-01

Multifrequency and high field/high frequency (HF) electron paramagnetic resonance (EPR) is a powerful spectroscopy for studying paramagnetic spin systems ranging from organic-free radicals to catalytic paramagnetic metal ion centers in metalloproteins. Typically, HF EPR experiments are carried out at resonant frequencies ν =95-300GHz and this requires magnetic fields of 3.4-10.7T for electronic spins with g ≈2.0. Such fields could be easily achieved with superconducting magnets, but, unlike NMR, these magnets cannot operate in a persistent mode in order to satisfy a wide range of resonant fields required by the experiment. Operating and maintaining conventional passively cooled superconducting magnets in EPR laboratories require frequent transfer of cryogens by trained personnel. Here we describe and characterize a versatile cryogen-free magnet system for HF EPR at magnetic fields up to 12.1T that is suitable for ramping the magnetic field over the entire range, precision scans around the target field, and/or holding the field at the target value. We also demonstrate that in a nonpersistent mode of operation the magnetic field can be stabilized to better than 0.3ppm/h over 15h period by employing a transducer-controlled power supply. Such stability is sufficient for many HF EPR experiments. An important feature of the system is that it is virtually maintenance-free because it is based on a cryogen-free technology and therefore does not require any liquid cryogens (liquid helium or nitrogen) for operation. We believe that actively cooled superconducting magnets are ideally suited for a wide range of HF EPR experiments including studies of spin-labeled nucleic acids and proteins, single-molecule magnets, and metalloproteins.

Complete series of chiral paramagnetic molecular conductors based on tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) and Chloranilate-bridged heterobimetallic honeycomb layers.

PubMed

Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis

2015-04-06

Electrocrystallization of enantiopure (S,S,S,S)- and (R,R,R,R)-tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) donors, as well as the racemic mixture, in the presence of potassium cations and the tris(chloranilato)ferrate(III) [Fe(Cl2An)3](3-) paramagnetic anion afforded a complete series of chiral magnetic molecular conductors formulated as β-[(S,S,S,S)-TM-BEDT-TTF]3PPh4[K(I)Fe(III)(Cl2An)3]·3H2O (1), β-[(R,R,R,R)-TM-BEDT-TTF]3PPh4[K(I)Fe(III)(Cl2An)3]·3H2O (2), and β-[(rac)-TM-BEDT-TTF]3PPh4[K(I)Fe(III)(Cl2An)3]·3H2O (3). Compounds 1-3 are isostructural and crystallize in triclinic space groups (P1 for 1 and 2, P-1 for 3) showing a segregated organic-inorganic crystal structure, where anionic honeycomb layers obtained by self-assembling of the Λ and Δ enantiomers of the paramagnetic complex with potassium cations alternate with organic layers where the chiral donors are arranged in the β packing motif. Compounds 1-3 show a molecular packing strongly influenced by the topology of the inorganic layers and behave as molecular semiconductors with room-temperature conductivity values of ca. 3 × 10(-4) S cm(-1). The magnetic properties are dominated by the paramagnetic S = 5/2 [Fe(Cl2An)3](3-) anions whose high-spin character is confirmed by magnetic susceptibility measurements. The correlation between crystal structure and conducting behavior has been studied by means of tight-binding band structure calculations which support the observed conducting properties.

Multi-photon Rabi oscillations in high spin paramagnetic impurity

NASA Astrophysics Data System (ADS)

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

2011-10-01

We report on multiple photon monochromatic quantum oscillations (Rabi oscillations) observed by pulsed EPR (Electron Paramagnetic Resonance) of Mn2+ (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.

PubMed

Ulloa, Camilo; Duine, R A

2018-04-27

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 analysis of La(1-x)M(x)MnO(3+δ) (M = Ce, Sr) perovskite-like nanostructured catalysts.

PubMed

Oliva, Cesare; Allieta, Mattia; Scavini, Marco; Biffi, Cesare; Rossetti, Ilenia; Forni, Lucio

2012-08-06

The physical-chemical properties of some nanostructured perovskite-like catalysts of general formula La(1-x)M(x)MnO(3+δ) (M = Ce, Sr) have been investigated, in particular by using the electron paramagnetic resonance (EPR) technique. We show that the interplay between the -O-Mn(3+)-O-Mn(4+)-O- electron double-exchange and the electron mobility is strictly dependent on the dopant nature and the annealing conditions in air. A relationship between the observed properties of these samples and their activity in the methane flameless catalytic combustion is proposed.

A 1-2 GHz pulsed and continuous wave electron paramagnetic resonance spectrometer

NASA Astrophysics Data System (ADS)

Quine, Richard W.; Rinard, George A.; Ghim, Barnard T.; Eaton, Sandra S.; Eaton, Gareth R.

1996-07-01

A microwave bridge has been constructed that performs three types of electron paramagnetic resonance experiments: continuous wave, pulsed saturation recovery, and pulsed electron spin echo. Switching between experiment types can be accomplished via front-panel switches without moving the sample. Design features and performance of the bridge and of a resonator used in testing the bridge are described. The bridge is constructed of coaxial components connected with semirigid cable. Particular attention has been paid to low-noise design of the preamplifier and stability of automatic frequency control circuits. The bridge incorporates a Smith chart display and phase adjustment meter for ease of tuning.

Magnon Spin Hall Magnetoresistance of a Gapped Quantum Paramagnet

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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.

Magnetic stability of oxygen defects on the SiO 2 surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adelstein, Nicole; Lee, Donghwa; DuBois, Jonathan L.

2017-02-21

The magnetic stability of E' centers and the peroxy radical on the surface of α-quartz is investigated with first-principles calculations to understand their role in magnetic flux noise in superconducting qubits (SQs) and superconducting quantum interference devices (SQUIDs) fabricated on amorphous silica substrates. Paramagnetic E' centers are common in both stoichiometric and oxygen deficient silica and quartz, and we calculate that they are more common on the surface than the bulk. However, we find the surface defects are magnetically stable in their paramagnetic ground state and thus will not contribute to 1/f noise through fluctuation at millikelvin temperatures.

Copper ESEEM and HYSCORE through ultra-wideband chirp EPR spectroscopy.

PubMed

Segawa, Takuya F; Doll, Andrin; Pribitzer, Stephan; Jeschke, Gunnar

2015-07-28

The main limitation of pulse electron paramagnetic resonance (EPR) spectroscopy is its narrow excitation bandwidth. Ultra-wideband (UWB) excitation with frequency-swept chirp pulses over several hundreds of megahertz overcomes this drawback. This allows to excite electron spin echo envelope modulation (ESEEM) from paramagnetic copper centers in crystals, whereas up to now, only ESEEM of ligand nuclei like protons or nitrogens at lower frequencies could be detected. ESEEM spectra are recorded as two-dimensional correlation experiments, since the full digitization of the electron spin echo provides an additional Fourier transform EPR dimension. Thus, UWB hyperfine-sublevel correlation experiments generate a novel three-dimensional EPR-correlated nuclear modulation spectrum.

X-ray photoelectron spectroscopy and paramagnetic resonance evidence for shock-induced intramolecular bond breaking in some energetic solids

NASA Astrophysics Data System (ADS)

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.

The electron-spin--nuclear-spin interaction studied by polarized neutron scattering.

PubMed

Stuhrmann, Heinrich B

2007-11-01

Dynamic nuclear spin polarization (DNP) is mediated by the dipolar interaction of paramagnetic centres with nuclear spins. This process is most likely to occur near paramagnetic centres at an angle close to 45 degrees with respect to the direction of the external magnetic field. The resulting distribution of polarized nuclear spins leads to an anisotropy of the polarized neutron scattering pattern, even with randomly oriented radical molecules. The corresponding cross section of polarized coherent neutron scattering in terms of a multipole expansion is derived for radical molecules in solution. An application using data of time-resolved polarized neutron scattering from an organic chromium(V) molecule is tested.

Tailoring the magnetostructural transition and magnetocaloric properties around room temperature: In-doped Ni-Mn-Ga alloys

NASA Astrophysics Data System (ADS)

Zhang, Linfang; Wang, Jingmin; Hua, Hui; Jiang, Chengbao; Xu, Huibin

2014-09-01

Some off-stoichiometric Ni-Mn-Ga alloys undergo a coupled magnetostructural transition from ferromagnetic martensite to paramagnetic austenite, giving rise to the large magnetocaloric effect. However, the magnetostructural transitions of Ni-Mn-Ga alloys generally take place at temperatures higher than room temperature. Here, we report that by the partial substitution of In for Ga, the paramagnetic austenite phase is well stabilized, and the magnetostructural transition can be tailored around room temperature. Sizable magnetic entropy change and adiabatic temperature change were induced by magnetic field change in the vicinity of the magnetostructural transition of the In-doped Ni-Mn-Ga alloys.

General magnetic transition dipole moments for electron paramagnetic resonance.

PubMed

Nehrkorn, Joscha; Schnegg, Alexander; Holldack, Karsten; Stoll, Stefan

2015-01-09

We present general expressions for the magnetic transition rates in electron paramagnetic resonance (EPR) experiments of anisotropic spin systems in the solid state. The expressions apply to general spin centers and arbitrary excitation geometry (Voigt, Faraday, and intermediate). They work for linear and circular polarized as well as unpolarized excitation, and for crystals and powders. The expressions are based on the concept of the (complex) magnetic transition dipole moment vector. Using the new theory, we determine the parities of ground and excited spin states of high-spin (S=5/2) Fe(III) in hemin from the polarization dependence of experimental EPR line intensities.

Effect of UV irradiation on Echinaceae purpureae interactions with free radicals examined by an X-band (9.3 GHz) EPR spectroscopy.

PubMed

Ramos, Paweł; Pilawa, Barbara

The effect of UVA (315-400 nm) irradiation on Echinaceae purpureae interactions with free radicals was examined by the use of electron paramagnetic resonance (EPR) spectroscopy. The changes of antioxidant properties of E. purpureae with time of UV irradiation from 10 to 110 min (10 min steps) were determined. DPPH as the paramagnetic reference was used in this study. Changes of EPR signals of the reference after interactions with nonirradiated and UV-irradiated E. purpureae were detected. Interactions of the tested E. purpureae samples caused decrease of the EPR signal of DPPH as the result of its antioxidant properties. The decrease of the amplitude of EPR line of DPPH was lower for interactions with UV-irradiated E. purpureae . EPR examination confirmed antioxidant properties of E. purpureae . The weaker antioxidant properties of E. purpureae after UV irradiation were pointed out. E. purpureae should be storage in the dark. The tests bring to light usefulness of electron paramagnetic resonance with microwave frequency of 9.3 GHz (an X-band) in examination of storage conditions of pharmacological herbs.

Fermionic spin liquid analysis of the paramagnetic state in volborthite

NASA Astrophysics Data System (ADS)

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.

Tipping the magnetic instability in paramagnetic S r 3 R u 2 O 7 by Fe impurities [Tipping the magnetic instability in paramagnetic S r 3 R u 2 O 7 by modest Fe substitution

DOE PAGES

Zhu, M.; Wang, Y.; Li, P. G.; ...

2017-05-19

We report the magnetic and electronic properties of the bilayer ruthenate Sr 3Ru 2O 7 upon Fe substitution for Ru. We find that Sr 3(Ru 1-xFe x) 2O 7 shows spin-glass-like phase below 4 K for x = 0.01 and commensurate E-type antiferromagnetically ordered insulating ground state characterized by the propagation vector q c = (0.25 0.25 0) for x ≥ 0.03, in contrast to the paramagnetic metallic state in the parent compound with strong spin fluctuations occurring at wave vectors q = (0.09 0 0) and (0.25 0 0). The observed antiferromagnetic ordering is quasitwo-dimensional with very short correlationmore » length along the c axis, a feature similar to the Mndoped Sr 3Ru 2O 7. Lastly, our results suggest that this ordered ground state is associated with the intrinsic magnetic instability in the pristine compound, which can be readily tipped by the local magnetic coupling between the 3d orbitals of the magnetic dopants and Ru 4d orbitals.« less

Electron interactions, spin-orbit coupling, intersite correlations in pyrochlore iridates: a comparison of single-site and cluster calculations

NASA Astrophysics Data System (ADS)

Wang, Runzhi; Go, Ara; Millis, Andrew

Pyrochlore iridates (R2 Ir2O7) are studied using density functional theory plus single-site and cluster dynamical mean-field theory (DFT+DMFT). The calculations include spin-orbit coupling. Significant differences between the single-site and cluster calculations are found. The single-site approximation fails to account for the properties of the paramagnetic insulator phase, in particular predicting a larger gap than found in experiments, while cluster calculations yield gaps consistent with transport data. A ground-state phase diagram is computed. Paramagnetic metal, metallic all-in/all-out (AIAO) and insulating AIAO phases are found. Tilted Weyl cones are observed in the AIAO metallic phase for a relatively wide range of interaction strength. Our paramagnetic calculations predict almost identical behaviors for the Y and Eu compound, conflicting with the strong material dependence reported in experiments. Inclusion of magnetic order restores the material difference. The physical origin of the difference is discussed. The results indicate that intersite effects, most likely of antiferromagnetic origin, play an important role in studying the physics of pyrochlore iridates. This work is supported by DOE-ER046169.

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

PubMed

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.

Charge Transfer Processes in OPV Materials as Revealed by EPR Spectroscopy

DOE PAGES

Niklas, Jens; Poluektov, Oleg

2017-03-03

Understanding charge separation and charge transport at a molecular level is crucial for improving the efficiency of organic photovoltaic (OPV) cells. Under illumination of Bulk Heterojunction (BHJ) blends of polymers and fullerenes, various paramagnetic species are formed including polymer and fullerene radicals, radical pairs, and photoexcited triplet states. Light-induced Electron Paramagnetic Resonance (EPR) spectroscopy is ideally suited to study these states in BHJ due to its selectivity in probing the paramagnetic intermediates. Some advanced EPR techniques like light-induced ENDOR spectroscopy and pulsed techniques allow the determination of hyperfine coupling tensors, while high-frequency EPR allows the EPR signals of the individualmore » species to be resolved and their g-tensors to be determined. In these magnetic resonance parameters reveal details about the delocalization of the positive polaron on the various polymer donors which is important for the efficient charge separation in BHJ systems. Time-resolved EPR can contribute to the study of the dynamics of charge separation, charge transfer and recombination in BHJ by probing the unique spectral signatures of charge transfer and triplet states. Furthermore, the potential of the EPR also allows characterization of the intermediates and products of BHJ degradation.« less

Magnetic properties of Cu80Co20 and Cu80Co15Fe5 melt-spun ribbons

NASA Astrophysics Data System (ADS)

Rubinstein, Mark; Harris, V. G.; Das, B. N.; Koon, N. C.

1994-11-01

The magnetic properties of granular, annealed, melt-spun ribbons of the ``giant'' magnetoresistors, Cu80Co20 and Cu80Co15Fe5, have been studied by a variety of techniques. These include x-ray dfiffraction, electron microscopy, ferromagnetic resonance, SQUID magnetometry, Mössbauer-effect spectroscopy, and magnetoresistance. We utilize each of these measurements to reveal different aspects of the particle size distribution as a function of annealing temperatures. These melt-spun alloys require large magnetic fields for magnetic saturation, impairing their utility as magnetic sensors. However, the properties of melt-spun ribbons provide an understanding of why all granular magnetic materials are difficult to saturate. The magnetoresistance ratio of these alloys is maximized by a 500 °C anneal with Δρ/ρ~=14% at 4.2 K. The paramagnetic fraction determined by SQUID magnetometry at 4.2 K is 33% for this annealing temperature. The paramagnetic fraction determined by Mössbauer spectroscopy is 14% for samples annealed by 500 °C, and vanishes when the sample is annealed at 900 °C. The discrepancy between the two measurements of the paramagnetic fraction is due to the vastly different averaging times of the two techniques.

Static quadrupolar susceptibility for a Blume-Emery-Griffiths model based on the mean-field approximation

NASA Astrophysics Data System (ADS)

Pawlak, A.; Gülpınar, G.; Erdem, R.; Ağartıoğlu, M.

2015-12-01

The expressions for the dipolar and quadrupolar susceptibilities are obtained within the mean-field approximation in the Blume-Emery-Griffiths model. Temperature as well as crystal field dependences of the susceptibilities are investigated for two different phase diagram topologies which take place for K/J=3 and K/J=5.0.Their behavior near the second and first order transition points as well as multi-critical points such as tricritical, triple and critical endpoint is presented. It is found that in addition to the jumps connected with the phase transitions there are broad peaks in the quadrupolar susceptibility. It is indicated that these broad peaks lie on a prolongation of the first-order line from a triple point to a critical point ending the line of first-order transitions between two distinct paramagnetic phases. It is argued that the broad peaks are a reminiscence of very strong quadrupolar fluctuations at the critical point. The results reveal the fact that near ferromagnetic-paramagnetic phase transitions the quadrupolar susceptibility generally shows a jump whereas near the phase transition between two distinct paramagnetic phases it is an edge-like.

Tipping the magnetic instability in paramagnetic S r 3 R u 2 O 7 by Fe impurities [Tipping the magnetic instability in paramagnetic S r 3 R u 2 O 7 by modest Fe substitution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, M.; Wang, Y.; Li, P. G.

We report the magnetic and electronic properties of the bilayer ruthenate Sr 3Ru 2O 7 upon Fe substitution for Ru. We find that Sr 3(Ru 1-xFe x) 2O 7 shows spin-glass-like phase below 4 K for x = 0.01 and commensurate E-type antiferromagnetically ordered insulating ground state characterized by the propagation vector q c = (0.25 0.25 0) for x ≥ 0.03, in contrast to the paramagnetic metallic state in the parent compound with strong spin fluctuations occurring at wave vectors q = (0.09 0 0) and (0.25 0 0). The observed antiferromagnetic ordering is quasitwo-dimensional with very short correlationmore » length along the c axis, a feature similar to the Mndoped Sr 3Ru 2O 7. Lastly, our results suggest that this ordered ground state is associated with the intrinsic magnetic instability in the pristine compound, which can be readily tipped by the local magnetic coupling between the 3d orbitals of the magnetic dopants and Ru 4d orbitals.« less

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

NASA Astrophysics Data System (ADS)

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.

A Paramagnetic Molecular Voltmeter

PubMed Central

Surek, Jack T.; Thomas, David D.

2008-01-01

We have developed a general electron paramagnetic resonance (EPR) method to measure electrostatic potential at spin labels on proteins to millivolt accuracy. Electrostatic potential is fundamental to energy-transducing proteins like myosin, because molecular energy storage and retrieval is primarily electrostatic. Quantitative analysis of protein electrostatics demands a site-specific spectroscopic method sensitive to millivolt changes. Previous electrostatic potential studies on macromolecules fell short in sensitivity, accuracy and/or specificity. Our approach uses fast-relaxing charged and neutral paramagnetic relaxation agents (PRAs) to increase nitroxide spin label relaxation rate solely through collisional spin exchange. These PRAs were calibrated in experiments on small nitroxides of known structure and charge to account for differences in their relaxation efficiency. Nitroxide longitudinal (R1) and transverse (R2) relaxation rates were separated by applying lineshape analysis to progressive saturation spectra. The ratio of measured R1 increases for each pair of charged and neutral PRAs measures the shift in local PRA concentration due to electrostatic potential. Voltage at the spin label is then calculated using the Boltzmann equation. Measured voltages for two small charged nitroxides agree with Debye-Hückel calculations. Voltage for spin-labeled myosin fragment S1 also agrees with calculation based on the pK shift of the reacted cysteine. PMID:17964835

Accessibility of Nitroxide Side Chains: Absolute Heisenberg Exchange Rates from Power Saturation EPR

PubMed Central

Altenbach, Christian; Froncisz, Wojciech; Hemker, Roy; Mchaourab, Hassane; Hubbell, Wayne L.

2005-01-01

In site-directed spin labeling, the relative solvent accessibility of spin-labeled side chains is taken to be proportional to the Heisenberg exchange rate (Wex) of the nitroxide with a paramagnetic reagent in solution. In turn, relative values of Wex are determined by continuous wave power saturation methods and expressed as a proportional and dimensionless parameter Π. In the experiments presented here, NiEDDA is characterized as a paramagnetic reagent for solvent accessibility studies, and it is shown that absolute values of Wex can be determined from Π, and that the proportionality constant relating them is independent of the paramagnetic reagent and mobility of the nitroxide. Based on absolute exchange rates, an accessibility factor is defined (0 < ρ < 1) that serves as a quantitative measure of side-chain solvent accessibility. The accessibility factors for a nitroxide side chain at 14 different sites in T4 lysozyme are shown to correlate with a structure-based accessibility parameter derived from the crystal structure of the protein. These results provide a useful means for relating crystallographic and site-directed spin labeling data, and hence comparing crystal and solution structures. PMID:15994891

Calorimetric Measurements of Magnetic-Field-Induced Inhomogeneous Superconductivity Above the Paramagnetic Limit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agosta, Charles C.; Fortune, Nathanael A.; Hannahs, Scott T.

We report the first magnetocaloric and calorimetric observations of a magnetic-field-induced phase transition within a superconducting state to the long-sought exotic Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superconducting state, first predicted over 50 years ago. Through the combination of bulk thermodynamic calorimetric and magnetocaloric measurements in the organic superconductor. kappa-(BEDT-TTF)(2) Cu(NCS)(2) as a function of temperature, magnetic field strength, and magnetic field orientation, we establish for the first time that this field-induced first-order phase transition at the paramagnetic limit Hp is a transition to a higher-entropy superconducting phase, uniquely characteristic of the FFLO state. We also establish that this high-field superconducting state displays themore » bulk paramagnetic ordering of spin domains required of the FFLO state. These results rule out the alternate possibility of spin-density wave ordering in the high-field superconducting phase. The phase diagram determined from our measurements-including the observation of a phase transition into the FFLO phase at Hp-is in good agreement with recent NMR results and our own earlier tunnel-diode magnetic penetration depth experiments but is in disagreement with the only previous calorimetric report.« less

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

NASA Astrophysics Data System (ADS)

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.

Accuracy of MRI-based Magnetic Susceptibility Measurements

NASA Astrophysics Data System (ADS)

Russek, Stephen; Erdevig, Hannah; Keenan, Kathryn; Stupic, Karl

Magnetic Resonance Imaging (MRI) is increasingly used to map tissue susceptibility to identify microbleeds associated with brain injury and pathologic iron deposits associated with neurologic diseases such as Parkinson's and Alzheimer's disease. Field distortions with a resolution of a few parts per billion can be measured using MRI phase maps. The field distortion map can be inverted to obtain a quantitative susceptibility map. To determine the accuracy of MRI-based susceptibility measurements, a set of phantoms with paramagnetic salts and nano-iron gels were fabricated. The shapes and orientations of features were varied. Measured susceptibility of 1.0 mM GdCl3 solution in water as a function of temperature agreed well with the theoretical predictions, assuming Gd+3 is spin 7/2. The MRI susceptibility measurements were compared with SQUID magnetometry. The paramagnetic susceptibility sits on top of the much larger diamagnetic susceptibility of water (-9.04 x 10-6), which leads to errors in the SQUID measurements. To extract out the paramagnetic contribution using standard magnetometry, measurements must be made down to low temperature (2K). MRI-based susceptometry is shown to be as or more accurate than standard magnetometry and susceptometry techniques.

Calorimetric Measurements of Magnetic-Field-Induced Inhomogeneous Superconductivity Above the Paramagnetic Limit

NASA Astrophysics Data System (ADS)

Agosta, Charles C.; Fortune, Nathanael A.; Hannahs, Scott T.; Gu, Shuyao; Liang, Lucy; Park, Ju-Hyun; Schleuter, John A.

2017-06-01

We report the first magnetocaloric and calorimetric observations of a magnetic-field-induced phase transition within a superconducting state to the long-sought exotic Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superconducting state, first predicted over 50 years ago. Through the combination of bulk thermodynamic calorimetric and magnetocaloric measurements in the organic superconductor κ -(BEDT -TTF )2Cu (NCS )2 as a function of temperature, magnetic field strength, and magnetic field orientation, we establish for the first time that this field-induced first-order phase transition at the paramagnetic limit Hp is a transition to a higher-entropy superconducting phase, uniquely characteristic of the FFLO state. We also establish that this high-field superconducting state displays the bulk paramagnetic ordering of spin domains required of the FFLO state. These results rule out the alternate possibility of spin-density wave ordering in the high-field superconducting phase. The phase diagram determined from our measurements—including the observation of a phase transition into the FFLO phase at Hp—is in good agreement with recent NMR results and our own earlier tunnel-diode magnetic penetration depth experiments but is in disagreement with the only previous calorimetric report.

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

PubMed

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.

Improved apparatus for trapped radical and other studies down to 1.5 K. [microwave cavity cryogenic equipment for electron paramagnetic resonance experiments

NASA Technical Reports Server (NTRS)

Woollam, J. A.; Sugawara, K.

1978-01-01

A Dewar system and associated equipment for electron paramagnetic resonance (EPR) studies of trapped free radicals and other optical or irradiation experiments are described. The apparatus is capable of reaching a temperature of 1.5 K and transporting on the order of 20 W per K temperature gradient; its principal advantages are for use at pumped cryogen temperatures and for experiments with large heat inputs. Two versions of the apparatus are discussed, one of which is designed for EPR in a rectangular cavity operating in a TE(102) mode and another in which EPR is performed in a cylindrical microwave cavity.

Copper ESEEM and HYSCORE through ultra-wideband chirp EPR spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Segawa, Takuya F.; Doll, Andrin; Pribitzer, Stephan

2015-07-28

The main limitation of pulse electron paramagnetic resonance (EPR) spectroscopy is its narrow excitation bandwidth. Ultra-wideband (UWB) excitation with frequency-swept chirp pulses over several hundreds of megahertz overcomes this drawback. This allows to excite electron spin echo envelope modulation (ESEEM) from paramagnetic copper centers in crystals, whereas up to now, only ESEEM of ligand nuclei like protons or nitrogens at lower frequencies could be detected. ESEEM spectra are recorded as two-dimensional correlation experiments, since the full digitization of the electron spin echo provides an additional Fourier transform EPR dimension. Thus, UWB hyperfine-sublevel correlation experiments generate a novel three-dimensional EPR-correlated nuclearmore » modulation spectrum.« less

A Paramagnetic Copper(III) Complex Containing an Octahedral CuIII S6 Coordination Polyhedron.

PubMed

Krebs, Carsten; Glaser, Thorsten; Bill, Eckhard; Weyhermüller, Thomas; Meyer-Klaucke, Wolfram; Wieghardt, Karl

1999-02-01

Only the second octahedral, paramagnetic copper(III) complex (S=1) has now been synthesized and characterized. Six thiolato bridging ligands in the heterotrinuclear species [LCo III Cu III Co III L](ClO 4 ) 3 ⋅2 Me 2 CO (L=1,4,7-tris(4-tert-butyl-2-sulfidobenzyl)-1,4,7-triazacyclononane) stabilize this rare electron configuration. A section of the structure of the reduced form (Cu II , S=½) is shown. XAS, EXAFS, and EPR spectroscopy prove unambiguously that the one-electron oxidation to the copper(III) is metal- rather than ligand-centered. © 1999 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Electronic state of PuCoGa5 and NpCoGa5 as probed by polarized neutrons.

PubMed

Hiess, A; Stunault, A; Colineau, E; Rebizant, J; Wastin, F; Caciuffo, R; Lander, G H

2008-02-22

By using single crystals and polarized neutrons, we have measured the orbital and spin components of the microscopic magnetization in the paramagnetic state of NpCoGa(5) and PuCoGa(5). The microscopic magnetization of NpCoGa(5) agrees with that observed in bulk susceptibility measurements and the magnetic moment has spin and orbital contributions as expected for intermediate coupling. In contrast, for PuCoGa(5), which is a superconductor with a high transition temperature, the microscopic magnetization in the paramagnetic state is small, temperature-independent, and significantly below the value found with bulk techniques at low temperatures. The orbital moment dominates the magnetization.

Diamagnetic Torque Signal and Temperature-Dependent Paramagnetism in Bi2Sr2CaCu2O8+δ

NASA Astrophysics Data System (ADS)

Tsuchiya, Satoshi; Mochiku, Takashi; Ooi, Shuichi; Hirata, Kazuto; Sugii, Kaori; Terashima, Taichi; Uji, Shinya

2017-11-01

Magnetic torque and resistance measurements for the superconducting cuprate Bi2Sr2CaCu2O8+δ with Tc = 87 K have been performed to determine the phase diagram in a parallel magnetic field fields up to 14 T. The anisotropy of the magnetization, derived from the torque, is found to decrease with decreasing temperature below 125 K, which can be ascribed to the temperature dependent paramagnetic spin susceptibility. The angular dependence of the torque clearly shows small diamagnetism due to fluctuating or inhomogeneous superconductivity at temperatures between Tc and ˜100 K. The results suggest that the pseudogap is not of superconducting origin.

High Resolution Thermometry for EXACT

NASA Technical Reports Server (NTRS)

Panek, J. S.; Nash, A. E.; Larson, M.; Mulders, N.

2000-01-01

High Resolution Thermometers (HRTs) based on SQUID detection of the magnetization of a paramagnetic salt or a metal alloy has been commonly used for sub-nano Kelvin temperature resolution in low temperature physics experiments. The main applications to date have been for temperature ranges near the lambda point of He-4 (2.177 K). These thermometers made use of materials such as Cu(NH4)2Br4 *2H2O, GdCl3, or PdFe. None of these materials are suitable for EXACT, which will explore the region of the He-3/He-4 tricritical point at 0.87 K. The experiment requirements and properties of several candidate paramagnetic materials will be presented, as well as preliminary test results.

Propulsion of rotationally actuated soft magnetic microswimmers

NASA Astrophysics Data System (ADS)

Samsami, Kiarash; Mirbagheri, Seyed Amir; Meshkati, Farshad; Fu, Henry

2017-11-01

Microrobotic swimmers have been the subject of many studies recently because of their possible biomedical applications such as drug delivery and micro manipulation. We examine rigid magnetic microrobots that are propelled by rotation induced by a rotating magnetic field, thought to be the most promising class of microrobots. Previous studies have considered ferromagnetic swimmers with permanent magnetizations and paramagnetic swimmers, but many experimental realizations are in fact soft magnets. Here we investigate how soft magnetic swimmers differ from ferromagnetic and paramagnetic swimmers. We specifically investigate the behavior of step-out frequencies, velocity-frequency response, and the stability and multiplicity of stable swimming modes for microrobots with nonmagnetic helical tails and ellipsoidal soft magnetic heads.

VARIATION OF THE VISCOSITY OF CERTAIN GAS-OXYGEN MIXTURES UNDER THE INFLUENCE OF MAGNETIC FIELD; Variatia Viscozitatii unor Amestecuri de Gaze cu Oxigen sub Influenta unui Cimp Magnetic

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ursu, I.

1958-01-01

The paramagnetic effects of oxygen and gas-oxygen mixtures are discussed. One of the paramagnetic effect the varistion of viscosity during the viscous flow in a magnetic field. The viscosity of gaseous oxygen and certain gas-oxygen mixtures decreased when the flow occurred in a magnetic field. The dependence of this effect on the size of the capillaries and porous materials was investigated. The viscosity was also found to vary with the concentration of oxygen and the other components forming the mixture. The results of the investigations with various gas mixtures are graphically shown. (A.C.)

Fe–Ni solid solutions in nano-size dimensions: Effect of hydrogen annealing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Asheesh, E-mail: asheeshk@barc.gov.in; Meena, S.S.; Banerjee, S.

Highlights: • Fe–Ni solid solution with nano-size dimensions were prepared and characterized. • Both as prepared and hydrogenated solid solutions have FCC structure of Ni. • Paramagnetic and ferromagnetic domains coexist in these samples. - Abstract: Nanoparticles of Ni{sub 0.50}Fe{sub 0.50} and Ni{sub 0.75}Fe{sub 0.25} alloys were prepared by chemical reduction in ethylene glycol medium. XRD and {sup 57}Fe Mössbauer studies have confirmed the formation of Fe–Ni solid solution in nano-size dimensions with FCC structure. These samples consist of both ferromagnetic and paramagnetic domains which have been attributed to the coexistence of large and small particles as confirmed by atomicmore » force microscopic (AFM) and {sup 57}Fe Mössbauer spectroscopic studies. Improved extent of Fe–Fe exchange interaction existing in Ni{sub 0.50}Fe{sub 0.50} alloy compared to Ni{sub 0.75}Fe{sub 0.25} alloy explains the observed increase in the relative extent of ferromagnetic domains compared to paramagnetic domains in the former sample. Increase in the relative extent of ferromagnetic domains for hydrogenated alloys is due to increase in particle size brought about by the high temperature activation prior to hydrogenation.« less

Dynamic Structural Changes of SiO₂ Supported Pt-Ni Bimetallic Catalysts over Redox Treatments Revealed by NMR and EPR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Suochang; Walter, Eric D.; Zhao, Zhenchao

2015-08-18

SiO 2 supported Pt-Ni bimetallic catalysts with different nickel loadings were prepared and their structural changes after redox treatments were studied by XRD, NMR, and EPR. It is found that the paramagnetic Ni species are mainly located on the surface of silica lattice. The relaxation of detected 29Si nuclei in our samples is mainly governed by a spin-diffusion mechanism. The paramagnetic effects are reflected in the spin-lattice relaxation of Q 4 species, with the oxidized samples presenting faster relaxation rates than the corresponding reduced ones. Meanwhile the Q 3 species, which are in close contact with the paramagnetic nickel ions,more » are “spectrally invisible”. In reducing atmosphere Ni gradually diffuses into Pt NPs to form PtNi alloys. While under oxidization treatment, the alloyed Ni atoms migrate outward from the core of Pt NPs and are oxidized. The main EPR spectrum results from reduced nickel species, and the reduced samples show stronger EPR signal than the corresponding oxidized ones. However, in the reduced samples, the superparamagnetic or ferromagnetic metallic Ni particles were inside the PtNi NPs, making their influence on the 29Si relaxation in the SiO 2 support weaker than the oxidized samples.« less

On-bead combinatorial synthesis and imaging of europium(III)-based paraCEST agents aids in identification of chemical features that enhance CEST sensitivity.

PubMed

Singh, Jaspal; Rustagi, Vineeta; Zhang, Shanrong; Sherry, A Dean; Udugamasooriya, D Gomika

2017-08-01

The rate of water exchange between the inner sphere of a paramagnetic ion and bulk water is an important parameter in determining the magnitude of the chemical exchange saturation transfer signal from paramagnetic CEST agents (paraCEST). This is governed by various geometric, steric and ligand field factors created by macrocyclic ligands surrounding the paramagnetic metal ion. Our previous on-bead combinatorial studies of di-peptoid-europium(III)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA)-tetraamide complexes revealed that negatively charged groups in the immediate vicinity of the metal center strongly enhances the CEST signal. Here, we report a solid phase synthesis and on-bead imaging of 76 new DOTA derivatives that are developed by coupling with a single residue onto each of the three arms of a DOTA-tetraamide scaffold attached to resin beads. This single residue predominantly carries negatively charged groups blended with various physico-chemical characteristics. We found that non-bulky negatively charged groups are best suited at the immediate vicinity of the metal ion, while positive, bulky and halogen containing moieties suppress the CEST signal. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Fluorinated Paramagnetic Complexes: Sensitive and Responsive Probes for Magnetic Resonance Spectroscopy and Imaging

NASA Astrophysics Data System (ADS)

Peterson, Katie L.; Srivastava, Kriti; Pierre, Valérie C.

2018-05-01

Fluorine magnetic resonance spectroscopy (MRS) and magnetic resonance imaging (MRI) of chemical and physiological processes is becoming more widespread. The strength of this technique comes from the negligible background signal in in vivo 19F MRI and the large chemical shift window of 19F that enables it to image concomitantly more than one marker. These same advantages have also been successfully exploited in the design of responsive 19F probes. Part of the recent growth of this technique can be attributed to novel designs of 19F probes with improved imaging parameters due to the incorporation of paramagnetic metal ions. In this review, we provide a description of the theories and strategies that have been employed successfully to improve the sensitivity of 19F probes with paramagnetic metal ions. The Bloch-Wangsness-Redfield theory accurately predicts how molecular parameters such as distance, geometry, rotational correlation times, as well as the nature, oxidation state, and spin state of the metal ion affect the sensitivity of the fluorine-based probes. The principles governing the design of responsive 19F probes are subsequently described in a “how to” guide format. Examples of such probes and their advantages and disadvantages are highlighted through a synopsis of the literature.

Optical, Structural and Paramagnetic Properties of Eu-Doped Ternary Sulfides ALnS2 (A = Na, K, Rb; Ln = La, Gd, Lu, Y)

PubMed Central

Jarý, Vítězslav; Havlák, Lubomír; Bárta, Jan; Buryi, Maksym; Mihóková, Eva; Rejman, Martin; Laguta, Valentin; Nikl, Martin

2015-01-01

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. PMID:28793612

Magneto-vibratory separation of glass and bronze granular mixtures immersed in a paramagnetic liquid.

PubMed

López-Alcaraz, P; Catherall, A T; Hill, R J A; Leaper, M C; Swift, Michael R; King, P J

2007-10-01

A fluid-immersed granular mixture may spontaneously separate when subjected to vertical vibration, separation occurring when the ratio of particle inertia to fluid drag is sufficiently different between the component species of the mixture. Here, we describe how fluid-driven separation is influenced by magneto-Archimedes buoyancy, the additional buoyancy force experienced by a body immersed in a paramagnetic fluid when a strong inhomogeneous magnetic field is applied. In our experiments glass and bronze mixtures immersed in paramagnetic aqueous solutions of MnCl2 have been subjected to sinusoidal vertical vibration. In the absence of a magnetic field the separation is similar to that observed when the interstitial fluid is water. However, at modest applied magnetic fields, magneto-Archimedes buoyancy may balance the inertia/fluid-drag separation mechanism, or it may dominate the separation process. We identify the vibratory and magnetic conditions for four granular configurations, each having distinctive granular convection. Abrupt transitions between these states occur at well-defined values of the magnetic and vibrational parameters. In order to gain insight into the dynamics of the separation process we use computer simulations based on solutions of the Navier-Stokes' equations. The simulations reproduce the experimental results revealing the important role of convection and gap formation in the stability of the different states.

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

PubMed

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.

Partitioning of nitroxides in dispersed systems investigated by ultrafiltration, EPR and NMR spectroscopy.

PubMed

Krudopp, Heimke; Sönnichsen, Frank D; Steffen-Heins, Anja

2015-08-15

The partitioning behavior of paramagnetic nitroxides in dispersed systems can be determined by deconvolution of electron paramagnetic resonance (EPR) spectra giving equivalent results with the validated methods of ultrafiltration techniques (UF) and pulsed-field gradient nuclear magnetic resonance spectroscopy (PFG-NMR). The partitioning behavior of nitroxides with increasing lipophilicity was investigated in anionic, cationic and nonionic micellar systems and 10 wt% o/w emulsions. Apart from EPR spectra deconvolution, the PFG-NMR was used in micellar solutions as a non-destructive approach, while UF based on separation of very small volume of the aqueous phase. As a function of their substituent and lipophilicity, the proportions of nitroxides that were solubilized in the micellar or emulsion interface increased with increasing nitroxide lipophilicity for all emulsifier used. Comparing the different approaches, EPR deconvolution and UF revealed comparable nitroxide proportions that were solubilized in the interfaces. Those proportions were higher than found with PFG-NMR. For PFG-NMR self-diffusion experiments the reduced nitroxides were used revealing a high dynamic of hydroxylamines and emulsifiers. Deconvolution of EPR spectra turned out to be the preferred method for measuring the partitioning behavior of paramagnetic molecules as it enables distinguishing between several populations at their individual solubilization sites. Copyright © 2015 Elsevier Inc. All rights reserved.

Automated high-throughput purification of genomic DNA from plant leaf or seed using MagneSil paramagnetic particles

NASA Astrophysics Data System (ADS)

Bitner, Rex M.; Koller, Susan C.

2004-06-01

Three different methods of automated high throughput purification of genomic DNA from plant materials processed in 96 well plates are described. One method uses MagneSil paramagnetic particles to purify DNA present in single leaf punch samples or small seed samples, using 320ul capacity 96 well plates which minimizes reagent and plate costs. A second method uses 2.2 ml and 1.2 ml capacity plates and allows the purification of larger amounts of DNA from 5-6 punches of materials or larger amounts of seeds. The third method uses the MagneSil ONE purification system to purify a fixed amount of DNA, thus simplifying the processing of downstream applications by normalizing the amounts of DNA so they do not require quantitation. Protocols for the purification of a fixed yield of DNA, e.g. 1 ug, from plant leaf or seed samples using MagneSil paramagnetic particles and a Beckman-Coulter BioMek FX robot are described. DNA from all three methods is suitable for applications such as PCR, RAPD, STR, READIT SNP analysis, and multiplexed PCR systems. The MagneSil ONE system is also suitable for use with SNP detection systems such as Third Wave Technology"s Invader methods.

Tracing and quantification of pharmaceuticals using MR imaging and spectroscopy at clinical MRI system

NASA Astrophysics Data System (ADS)

Jeong, Eun-Kee; Liu, Xin; Shi, Xianfeng; Yu, Y. Bruce; Lu, Zeng-Rong

2012-10-01

Magnetic resonance imaging (MRI) and spectroscopy (MRS) is very powerful modality for imaging and localized investigation of biological tissue. Medical MRI measures nuclear magnetization of the water protons, which consists of 70 % of our body. MRI provides superior contrast among different soft tissues to all other existing medical imaging modalities, including ultrasound, X-ray CT, PET, and SPECT. In principle, MRI/S may be an ideal non-invasive tool for drug delivery research. However, because of its low sensitivity, a large dose is required for tracing pharmaceuticals. Therefore, its use for imaging of pharmaceuticals is very limited mostly to molecules that contain a paramagnetic metal ion, such as gadolinium (Gd3+) and manganese (Mn2+). The paramagnetic metal ion provides a large fluctuating magnetic field at the proton in the water molecule via a coordinate site. The measurement of local drug concentration is the first step for further quantification. Local concentration of the paramagnetic-ion based MRI contrast agent can be indirectly measured via the change in the water signal intensity. 19F MRI/S of fluorinated complex may be an option for drug delivery and tracing agent, because the fluorinated molecule may be directly detected due to its large magnetic moment (94 % of proton) and 100 % abundance.

How to tackle protein structural data from solution and solid state: An integrated approach.

PubMed

Carlon, Azzurra; Ravera, Enrico; Andrałojć, Witold; Parigi, Giacomo; Murshudov, Garib N; Luchinat, Claudio

2016-02-01

Long-range NMR restraints, such as diamagnetic residual dipolar couplings and paramagnetic data, can be used to determine 3D structures of macromolecules. They are also used to monitor, and potentially to improve, the accuracy of a macromolecular structure in solution by validating or "correcting" a crystal model. Since crystal structures suffer from crystal packing forces they may not be accurate models for the macromolecular structures in solution. However, the presence of real differences should be tested for by simultaneous refinement of the structure using both crystal and solution NMR data. To achieve this, the program REFMAC5 from CCP4 was modified to allow the simultaneous use of X-ray crystallographic and paramagnetic NMR data and/or diamagnetic residual dipolar couplings. Inconsistencies between crystal structures and solution NMR data, if any, may be due either to structural rearrangements occurring on passing from the solution to solid state, or to a greater degree of conformational heterogeneity in solution with respect to the crystal. In the case of multidomain proteins, paramagnetic restraints can provide the correct mutual orientations and positions of domains in solution, as well as information on the conformational variability experienced by the macromolecule. Copyright © 2016 Elsevier B.V. All rights reserved.

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

PubMed

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.

Paramagnetic defects in electron-irradiated yttria-stabilized zirconia: Effect of yttria content

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costantini, Jean-Marc; Beuneu, Francois; Morrison-Smith, Sarah E.

2011-12-20

We have studied the effect of the yttria content on the paramagnetic centres in electron-irradiated yttria-stabilized zirconia (ZrO2: Y3+) or YSZ. Single crystals with 9.5 mol% or 18 mol% Y2O3 were irradiated with electrons of 1.0, 1.5, 2.0 and 2.5 MeV. The paramagnetic centre production was studied by X-band EPR spectroscopy. The same paramagnetic centres were identified for both chemical compositions, namely two electron centres, i.e. i) F+-type centres (involving singly ionized oxygen vacancies), and ii) so-called T centres (Zr3+ in a trigonal symmetry site), and hole-centres. A strong effect is observed on the production of hole-centres which are stronglymore » enhanced when doubling the yttria content. However, no striking effect is found on the electron centres (except the enhancement of an extra line associated to the F+-type centres). It is concluded that hole-centres are produced by inelastic interactions, whereas F+-type centres are produced by elastic collisions with no effect of the yttria content on the defect production rate. In the latter case, the threshold displacement energy (Ed) of oxygen is estimated from the electron-energy dependence of the F+-type centre production rate, with no significant effect of the yttria content on Ed. An Ed value larger than 120 eV is found. Accordingly, classical molecular dynamics (MD) simulations with a Buckingham-type potential show that Ed values for Y and O are likely to be in excess of 200 eV. It is concluded that F+-type centres might be actually oxygen divacancies (F2+-type centres). Due to the difficulty in displacing O or Y atoms, the radiation-induced defects may alternatively be a result of Zr atom displacements for Ed = 80 ± 1 eV with subsequent defect re-arrangement.« less

Experimental investigations of recent anomalous results in superconductivity

NASA Astrophysics Data System (ADS)

Souw, Victor K.

2000-12-01

This thesis examines three recent anomalous results associated with irreversibility in type-II superconductivity: (1) The magnetic properties of the predicted superconductors LiBeH3 and Li2BeH 4, (2) the paramagnetic transition near T = Tc in Nb, and (3) a noise transition in a YBa2Cu3O7-delta thin film near the vortex-solid transition. The investigation of Li 2BeH4 and LiBeH3 was prompted by theoretical predictions of room-temperature superconductivity for Li2BeH4 and LiBeH3 and a recent report that Li2BeH4 showed magnetic irreversibilities similar to those of type-II superconductors. A modified experimental method is introduced in order to avoid artifacts due to background signals. The resulting data is suggestive of a superparamagnetic impurity from one of the reagents used in the synthesis and after subtracting this contribution, the temperature-dependent susceptibilities of Li2 BeH4 and LiBeH3 are estimated. However, no magnetic irreversibility suggestive of superconductivity is observed. The anomalous paramagnetic transition in Nb is intriguing because Nb does not share the d-wave order parameter symmetry often invoked to explain the phenomenon in other superconductors. A modified experimental method was developed in order to avoid instrumental artifacts known to produce a similar apparently paramagnetic response, but the results of this method indicate that the paramagnetic response is a physical property of the sample. Finally, a very sharp noise transition in a YBa2Cu3O7-delta thin film was found to be distinct from previously reported features in the voltage noise commonly associated with vortex fluctuations near the irreversibility line. In each of these three cases the examination of experimental techniques is an integral part of the investigation of novel vortex behavior near the onset of irreversibility.

Application of electron paramagnetic resonance imaging to the characterization of the Ultem(R) exposed to 1 MeV electrons. Correlation of radical density data to tiger code calculations

NASA Technical Reports Server (NTRS)

Suleman, Naushadalli K.

1994-01-01

A major long-term goal of the Materials Division at the NASA Langley Research Center is the characterization of new high-performance materials that have potential applications in the aircraft industry, and in space. The materials used for space applications are often subjected to a harsh and potentially damaging radiation environment. The present study constitutes the application of a novel technique to obtain reliable data for ascertaining the molecular basis for the resilience and durability of materials that have been exposed to simulated space radiations. The radiations of greatest concern are energetic electrons and protons, as well as galactic cosmic rays. Presently, the effects of such radiation on matter are not understood in their entirety. It is clear however, that electron radiation causes ionization and homolytic bond rupture, resulting in the formation of paramagnetic spin centers in the polymer matrices of the structural materials. Since the detection and structure elucidation of paramagnetic species are most readily accomplished using Electron Paramagnetic Resonance (EPR) Spectroscopy, the NASA LaRC EPR system was brought back on-line during the 1991 ASEE term. The subsequent 1992 ASEE term was devoted to the adaptation of the EPR core system to meet the requirements for EPR Imaging (EPRI), which provides detailed information on the spatial distribution of paramagnetic species in bulk media. The present (1994) ASEE term was devoted to the calibration of this EPR Imaging system, as well as to the application of this technology to study the effects of electron irradiation on Ultem(exp R), a high performance polymer which is a candidate for applications in aerospace. The Ultem was exposed to a dose of 2.4 x 10(exp 9) Rads (1-MeV energy/electron) at the LaRC electron accelerator facility. Subsequently, the exposed specimens were stored in liquid nitrogen, until immediately prior to analyses by EPRI. The intensity and dimensions of the EPR Images that were generated for the irradiated specimens showed that the electrons penetrated the material to a depth of approximately 0.125 inch. These data show a very high degree of correlation to the energy deposition profile as predicted by the Tiger Code, a Monte Carlo code that provides guidelines for the transport of electrons in matter. Subsequent efforts will focus on delineating the transport properties of energetic protons in Ultem(R).

Experiments on Magnetic Materials

ERIC Educational Resources Information Center

Schneider, C. S.; Ertel, John P.

1978-01-01

Describes the construction and use of a simple apparatus to measure the magnetization density and magnetic susceptibility of ferromagnetic, paramagnetic, and the diamagnetic solids and liquids. (Author/GA)

Ultrafast Magnetization of a Dense Molecular Gas with an Optical Centrifuge.

PubMed

Milner, A A; Korobenko, A; Milner, V

2017-06-16

Strong laser-induced magnetization of oxygen gas at room temperature and atmospheric pressure is achieved experimentally on the subnanosecond time scale. The method is based on controlling the electronic spin of paramagnetic molecules by means of manipulating their rotation with an optical centrifuge. Spin-rotational coupling results in a high degree of spin polarization on the order of one Bohr magneton per centrifuged molecule. Owing to the nonresonant interaction with the laser pulses, the demonstrated technique is applicable to a broad class of paramagnetic rotors. Executed in a high-density gas, it may offer an efficient way of generating macroscopic magnetic fields remotely (as shown in this work) and producing a large amount of spin-polarized electrons.

Ultrafast Magnetization of a Dense Molecular Gas with an Optical Centrifuge

NASA Astrophysics Data System (ADS)

Milner, A. A.; Korobenko, A.; Milner, V.

2017-06-01

Strong laser-induced magnetization of oxygen gas at room temperature and atmospheric pressure is achieved experimentally on the subnanosecond time scale. The method is based on controlling the electronic spin of paramagnetic molecules by means of manipulating their rotation with an optical centrifuge. Spin-rotational coupling results in a high degree of spin polarization on the order of one Bohr magneton per centrifuged molecule. Owing to the nonresonant interaction with the laser pulses, the demonstrated technique is applicable to a broad class of paramagnetic rotors. Executed in a high-density gas, it may offer an efficient way of generating macroscopic magnetic fields remotely (as shown in this work) and producing a large amount of spin-polarized electrons.

Transport and magnetic properties of disordered Li xV yO 2 ( x=0.8 and y=0.8)

NASA Astrophysics Data System (ADS)

Du, Fei; Li, Ang; Liu, Daliang; Zhan, Shiying; Hu, Fang; Wang, Chunzhong; Chen, Yan; Feng, Shouhua; Chen, Gang

2009-07-01

The magnetic and electron transport properties of rhombohedral Li xV yO 2 ( x=0.8 and y=0.8) are studied. The dc susceptibility of Li xV yO 2 can be well fitted to the modified Curie-Weiss law, which verified the paramagnetic ground state. The magnetic hysteresis and ac susceptibility also confirm this paramagnetism. The Li xV yO 2 exhibits semiconducting behavior, which is explained by thermal activated process at high temperature and variable-range hopping mechanism at low temperature. Anderson localization plays an important role in both the electron transport behavior and the magnetic behavior due to the site disorder between the Li + ion and V 4+ ion.

A magnetic trap for living cells suspended in a paramagnetic buffer

NASA Astrophysics Data System (ADS)

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.

Consensus structures of the Mo(v) sites of sulfite-oxidizing enzymes derived from variable frequency pulsed EPR spectroscopy, isotopic labelling and DFT calculations.

PubMed

Enemark, John H

2017-10-10

Sulfite-oxidizing enzymes from eukaryotes and prokaryotes have five-coordinate distorted square-pyramidal coordination about the molybdenum atom. The paramagnetic Mo(v) state is easily generated, and over the years four distinct CW EPR spectra have been identified, depending upon enzyme source and the reaction conditions, namely high and low pH (hpH and lpH), phosphate inhibited (P i ) and sulfite (or blocked). Extensive studies of these paramagnetic forms of sulfite-oxidizing enzymes using variable frequency pulsed electron spin echo (ESE) spectroscopy, isotopic labeling and density functional theory (DFT) calculations have led to the consensus structures that are described here. Errors in some of the previously proposed structures are corrected.

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

NASA Astrophysics Data System (ADS)

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.

Study of the effects of hydroxyapatite nanocrystal codoping by pulsed electron paramagnetic resonance methods

NASA Astrophysics Data System (ADS)

Gafurov, M. R.; Biktagirov, T. B.; Mamin, G. V.; Shurtakova, D. V.; Klimashina, E. S.; Putlyaev, V. I.; Orlinskii, S. B.

2016-03-01

The effect of codoping of hydroxyapatite (HAP) nanocrystals with average sizes of 35 ± 15 nm during "wet" synthesis by CO 3 2- carbonate anions and Mn2+ cations on relaxation characteristics (for the times of electron spin-spin relaxation) of the NO 3 2- nitrate radical anion has been studied. By the example of HAP, it has been demonstrated that the electron paramagnetic resonance (EPR) is an efficient method for studying anion-cation (co)doping of nanoscale particles. It has been shown experimentally and by quantummechanical calculations that simultaneous introduction of several ions can be energetically more favorable than their separate inclusion. Possible codoping models have been proposed, and their energy parameters have been calculated.

NMR study of the paramagnetic state of low-dimensional magnets LiCu{sub 2}O{sub 2} and NaCu{sub 2}O{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sadykov, A. F., E-mail: sadykov@imp.uran.ru; Piskunov, Yu. V.; Gerashchenko, A. P.

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.

X-Band Rapid-Scan Electron Paramagnetic Resonance of Radiation-Induced Defects in Tooth Enamel

PubMed Central

Yu, Zhelin; Romanyukha, Alexander; Eaton, Sandra S.; Eaton, Gareth R.

2015-01-01

X-band rapid-scan electron paramagnetic resonance (EPR) spectra from tooth enamel samples irradiated with doses of 0.5, 1 and 10 Gy had substantially improved signal-to-noise relative to conventional continuous wave EPR. The radiation-induced signal in 60 mg of a tooth enamel sample irradiated with a 0.5 Gy dose was readily characterized in spectra recorded with 34 min data acquisition times. The coefficient of variance of the calculated dose for a 1 Gy irradiated sample, based on simulation of the first-derivative spectra for three replicates as the sum of native and radiation-induced signals, was 3.9% for continuous wave and 0.4% for rapid scan. PMID:26207683

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

NASA Astrophysics Data System (ADS)

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 %.

Cryogenic High-Sensitivity Magnetometer

NASA Technical Reports Server (NTRS)

Day, Peter; Chui, Talso; Goodstein, David

2005-01-01

A proposed magnetometer for use in a cryogenic environment would be sensitive enough to measure a magnetic-flux density as small as a picogauss (10(exp -16) Tesla). In contrast, a typical conventional flux-gate magnetometer cannot measure a magnetic-flux density smaller that about 1 microgauss (10(exp -10) Tesla). One version of this device, for operation near the low end of the cryogenic temperature range, would include a piece of a paramagnetic material on a platform, the temperature of which would be controlled with a periodic variation. The variation in temperature would be measured by use of a conventional germanium resistance thermometer. A superconducting coil would be wound around the paramagnetic material and coupled to a superconducting quantum interference device (SQUID) magnetometer.

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

NASA Astrophysics Data System (ADS)

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

2017-11-01

We report on the magnetic properties of monovacancy defects in neutron-irradiated graphite, probed by 13C 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 13C nuclear spin-lattice relaxation rate 1/T1 by about two orders of magnitude. With an applied magnetic field of 7.1 T, the temperature dependence of 1/T1 below about 10 K can well be described by a thermally activated form, \

A portable version of the program of nettar and villafranca for the simulation of electron paramagnetic resonance spectra of powders

NASA Astrophysics Data System (ADS)

Soulié, Edgar; Gaugenot, Jacques

1995-04-01

Nettar and Villafranca wrote in the FORTRAN programming language a computer program which simulates the electron paramagnetic resonance (EPR) spectra of powders (Journal of Magnetic Resonance, vol. 64 (1985) pp. 61-65). The spin Hamiltonian which their program can handle includes the Zeeman electronic interaction, the fine interaction up to the sixth order in the electron spin, a general hyperfine interaction, an isotropic nuclear Zeeman term; anisotropic ligand hyperfine terms are treated to first order in perturbation. The above Hamiltonian, without the ligand hyperfine terms, is treated exactly, i.e. the resonance equation for a transition between states labeled i and j is solved numerically: h.ν=Ei(H)-Ej(H).

Growth Kinetics of the S Sub H Center on Magnesium Oxide Using Electron Paramagnetic Resonance

NASA Technical Reports Server (NTRS)

Jayne, J. P.

1971-01-01

Electron paramagnetic resonance spectroscopy was used to study the growth of S sub H centers on magnesium oxide powder which had hydrogen adsorbed on its surface. The centers were produced by ultraviolet radiation. The effects of both radiation intensity and hydrogen pressure were also studied. At constant hydrogen pressure and radiation dose, the initial S sub H center growth rate was found to be zero order. Beyond the initial region the growth rate deviated from zero order and finally approached saturation. The results are interpreted in terms of a model which assumes that the S sub H center is a hydrogen atom associated with a surface vacancy. Saturation appears to result from a limited supply of surface vacancies.

Nuclear magnetic resonance studies of pseudospin fluctuations in URu 2 Si 2

DOE PAGES

Shirer, K. R.; Haraldsen, J. T.; Dioguardi, A. P.; ...

2013-09-26

Here, we report 29Si nuclear magnetic resonance measurements in single crystals and aligned powders of URu 2Si 2 in the hidden order and paramagnetic phases. The spin-lattice relaxation data reveal evidence of pseudospin fluctuations of U moments in the paramagnetic phase. We find evidence for partial suppression of the density of states below 30 K and analyze the data in terms of a two-component spin-fermion model. We propose that this behavior is a realization of a pseudogap between the hidden-order transition T HO and 30 K. This behavior is then compared to other materials that demonstrate precursor fluctuations in amore » pseudogap regime above a ground state with long-range order.« less

EPR study of free radicals in bread

NASA Astrophysics Data System (ADS)

Yordanov, Nicola D.; Mladenova, Ralitsa

2004-05-01

The features of the recorded EPR spectra of paramagnetic species formed in bread and rusk are reported. The appearance of free radicals in them is only connected with their thermal treatment since the starting materials (flour and grains) exhibit very weak EPR signal. The obtained EPR spectra are complex and indicate that: (i) the relative number of paramagnetic species depends on the temperature and treating time of the raw product; (ii) the g-values are strongly temperature dependent with a tendency to coincide at t≥220 °C. Because of the relatively low (150-220 °C) temperature of thermal treatment, the studied free radicals can be assumed to appear in the course of the browning (Maillard) reaction and not to the carbonization of the material.

Ligand-directed nanobialys as theranostic agent for drug delivery and manganese-based magnetic resonance imaging of vascular targets.

PubMed

Pan, Dipanjan; Caruthers, Shelton D; Hu, Grace; Senpan, Angana; Scott, Mike J; Gaffney, Patrick J; Wickline, Samuel A; Lanza, Gregory M

2008-07-23

Although gadolinium has been the dominant paramagnetic metal for MR paramagnetic contrast agents, the recent association of this lanthanide with nephrogenic systemic fibrosis, an untreatable disease, has spawned renewed interest in alternative metals for MR molecular imaging. We have developed a self-assembled, manganese(III)-labeled nanobialys (1), a toroidal-shaped MR theranostic nanoparticle. In this report, Mn(III) nanobialys are characterized as MR molecular imaging agents for targeted detection of fibrin, a major biochemical feature of thrombus. A complementary ability of nanobialys to incorporate chemotherapeutic compounds with greater than 98% efficiency and to retain more than 80% of these drugs after infinite sink dissolution, point to the theranostic potential of this platform technology.

Negative electric susceptibility and magnetism from translational invariance and rotational invariance

NASA Astrophysics Data System (ADS)

Koo, Je Huan

2015-02-01

In this work we investigate magnetic effects in terms of the translational and rotational invariances of magnetisation. Whilst Landau-type diamagnetism originates from translational invariance, a new diamagnetism could result from rotational invariance. Translational invariance results in only conventional Landau-type diamagnetism, whereas rotational invariance can induce a paramagnetic susceptibility for localised electrons and also a new kind of diamagnetism that is specific to conducting electrons. In solids, the moving electron shows a paramagnetic susceptibility but the surrounding screening of electrons may produce a new diamagnetic response by Lenz's law, resulting in a total susceptibility that tends to zero. For electricity, similar behaviours are obtained. We also derive the DC-type negative electric susceptibility via two methods in analogy with Landau diamagnetism.

Quartz helix magnetic susceptibility balance using the Curie-Cheneveau principle

USGS Publications Warehouse

Senftle, F.E.; Lee, M.D.; Monkewicz, A.A.; Mayo, J.W.; Pankey, T.

1958-01-01

A quartz spring balance is described which can be used to measure the magnetic susceptibility of submilligram amounts of sample. The magnetic field is supplied by a moving permanent magnet, and the susceptibility is determined by the deflection of the spring observed in a measuring microscope. The apparatus is calibrated by a comparison standard (platinum) and results are shown for platinum, nickel aluminate, lead, manganese, and sucrose. A precision of better than 2% can be obtained on submilligram amounts of paramagnetic substances having a magnetic susceptibility of from 1 to 50??10-6 emu/g. On weakly paramagnetic or diamagnetic substances comparable precision can be obtained on less than 10 mg amounts of sample. ?? 1958 The American Institute of Physics.

Theoretical calculations of Electron Paramagnetic Resonance parameters of liquid phase Orotic acid radical

NASA Astrophysics Data System (ADS)

Sarikaya, Ebru Karakaş; Dereli, Ömer

2017-02-01

To obtain liquid phase molecular structure, conformational analysis of Orotic acid was performed and six conformers were determined. For these conformations, eight possible radicals were modelled by using Density Functional Theory computations with respect to molecular structure. Electron Paramagnetic Resonance parameters of these model radicals were calculated and then they were compared with the experimental ones. Geometry optimizations of the molecule and modeled radicals were performed using Becke's three-parameter hybrid-exchange functional combined with the Lee-Yang-Parr correlation functional of Density Functional Theory and 6-311++G(d,p) basis sets in p-dioxane solution. Because Orotic acid can be mutagenic in mammalian somatic cells and it is also mutagenic for bacteria and yeast, it has been studied.

High pressure synthesis, crystal growth and magnetic properties of TiOF

NASA Astrophysics Data System (ADS)

Cumby, J.; Burchell, M. B.; Attfield, J. P.

2018-06-01

Polycrystalline samples of TiOF have been prepared at 1300 °C and 8 GPa, with small single crystals grown at the same conditions. The crystal structure remains tetragonal rutile-type down to at least 90 K (space group P42/mnm, a = 4.6533 (2) Å and c = 3.0143 (2) Å at 90 K) and the Ti(O,F)6 octahedra are slightly compressed, consistent with Jahn-Teller distortion of 3d1 Ti3+. Diffuse scattering reveals disordered structural correlations that may arise from local cis-order of oxide anions driven by covalency. TiOF is paramagnetic down to 5 K and observation of a small paramagnetic moment and a substantial Pauli term indicates that the d-electrons are partially delocalised.

Spontaneous magnetic order in complex materials: Role of longitudinal spin-orbit interactions

NASA Astrophysics Data System (ADS)

Chakraborty, Subrata; Vijay, Amrendra

2017-06-01

We show that the longitudinal spin-orbit interactions (SOI) critically determine the fate of spontaneous magnetic order (SMO) in complex materials. To study the magnetic response of interacting electrons constituting the material, we implement an extension of the Hubbard model that faithfully accounts for the SOI. Next, we use the double-time Green functions of quantum statistical mechanics to obtain the spontaneous magnetization, Msp , and thence ascertain the possibility of SMO. For materials with quenched SOI, in an arbitrary dimension, Msp vanishes at finite temperatures, implying the presence of the disordered (paramagnetic) phase. This is consistent with and goes beyond the Bogolyubov's inequality based analysis in one and two dimensions. In the presence of longitudinal SOI, Msp , for materials in an arbitrary dimension, remains non-zero at finite temperatures, which indicates the existence of the ordered (ferromagnetic) phase. As a plausible experimental evidence of the present SOI-based phenomenology, we discuss, inter alia, a recent experimental study on Y4Mn1-xGa12-yGey, an intermetallic compound, which exhibits a magnetic phase transition (paramagnetic to ferromagnetic) upon tuning the fraction of Ge atoms and thence the vacancies of the magnetic centers in this system. The availability of Ge atoms to form a direct chemical bond with octahedral Mn in this material appears to quench the SOI and, as a consequence, favours the formation of the disordered (paramagnetic) phase.

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

PubMed

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.

Determining the Orientation and Localization of Membrane-Bound Peptides

PubMed Central

Hohlweg, Walter; Kosol, Simone; Zangger, Klaus

2012-01-01

Many naturally occurring bioactive peptides bind to biological membranes. Studying and elucidating the mode of interaction is often an essential step to understand their molecular and biological functions. To obtain the complete orientation and immersion depth of such compounds in the membrane or a membrane-mimetic system, a number of methods are available, which are separated in this review into four main classes: solution NMR, solid-state NMR, EPR and other methods. Solution NMR methods include the Nuclear Overhauser Effect (NOE) between peptide and membrane signals, residual dipolar couplings and the use of paramagnetic probes, either within the membrane-mimetic or in the solvent. The vast array of solid state NMR methods to study membrane-bound peptide orientation and localization includes the anisotropic chemical shift, PISA wheels, dipolar waves, the GALA, MAOS and REDOR methods and again the use of paramagnetic additives on relaxation rates. Paramagnetic additives, with their effect on spectral linewidths, have also been used in EPR spectroscopy. Additionally, the orientation of a peptide within a membrane can be obtained by the anisotropic hyperfine tensor of a rigidly attached nitroxide label. Besides these magnetic resonance techniques a series of other methods to probe the orientation of peptides in membranes has been developed, consisting of fluorescence-, infrared- and oriented circular dichroism spectroscopy, colorimetry, interface-sensitive X-ray and neutron scattering and Quartz crystal microbalance. PMID:22044140

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

PubMed

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

2014-05-21

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 Mn(2+) 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.

An Analytical Model for Non-Uniform Magnetic Field Effects on Two-Dimensional Laminar Jet Diffusion Flames

NASA Technical Reports Server (NTRS)

Calvert, M. E.; Baker, J.; Saito, K.; VanderWal, R. L.

2001-01-01

In 1846, Michael Faraday found that permanent magnets could cause candle flames to deform into equatorial disks. He believed that the change in flame shape was caused by the presence of charged particles within the flames interacting with the magnetic fields. Later researchers found that the interaction between the flame ions and the magnetic fields were much too small to cause the flame deflection. Through a force analysis, von Engel and Cozens showed that the change in the flame shape could be attributed to the diamagnetic flame gases in the paramagnetic atmosphere. Paramagnetism occurs in materials composed of atoms with permanent magnetic dipole moments. In the presence of magnetic field gradients, the atoms align with the magnetic field and are drawn into the direction of increasing magnetic field. Diamagnetism occurs when atoms have no net magnetic dipole moment. In the presence of magnetic gradient fields, diamagnetic substances are repelled towards areas of decreasing magnetism. Oxygen is an example of a paramagnetic substance. Nitrogen, carbon monoxide and dioxide, and most hydrocarbon fuels are examples of diamagnetic substances. In order to evaluate the usefulness of these magnets in altering flame behavior, a study has been undertaken to develop an analytical model to describe the change in the flame length of a laminar diffusion jet in the presence of a nonuniform magnetic field.

Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K.

PubMed

Mondal, Arobendo; Gaultois, Michael W; Pell, Andrew J; Iannuzzi, Marcella; Grey, Clare P; Hutter, Jürg; Kaupp, Martin

2018-01-09

Large-scale computations of nuclear magnetic resonance (NMR) shifts for extended paramagnetic solids (pNMR) are reported using the highly efficient Gaussian-augmented plane-wave implementation of the CP2K code. Combining hyperfine couplings obtained with hybrid functionals with g-tensors and orbital shieldings computed using gradient-corrected functionals, contact, pseudocontact, and orbital-shift contributions to pNMR shifts are accessible. Due to the efficient and highly parallel performance of CP2K, a wide variety of materials with large unit cells can be studied with extended Gaussian basis sets. Validation of various approaches for the different contributions to pNMR shifts is done first for molecules in a large supercell in comparison with typical quantum-chemical codes. This is then extended to a detailed study of g-tensors for extended solid transition-metal fluorides and for a series of complex lithium vanadium phosphates. Finally, lithium pNMR shifts are computed for Li 3 V 2 (PO 4 ) 3 , for which detailed experimental data are available. This has allowed an in-depth study of different approaches (e.g., full periodic versus incremental cluster computations of g-tensors and different functionals and basis sets for hyperfine computations) as well as a thorough analysis of the different contributions to the pNMR shifts. This study paves the way for a more-widespread computational treatment of NMR shifts for paramagnetic materials.

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

NASA Astrophysics Data System (ADS)

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.

Paramagnetic resonance studies of bistrispyrazolylborate cobalt(II) and related derivatives

NASA Astrophysics Data System (ADS)

Myers, William K.

Herein, a systematic frozen solution electron-nuclear double resonance (ENDOR) study of high-spin Co(II) complexes is reported to demonstrate the efficacy of methyl substitutions as a means of separating dipolar and contact coupling, and further, to increase the utility of high-spin Co(II) as a spectroscopic probe for the ubiquitous, but spectroscopically-silent Zn(II) metalloenzymes. High-spin (hs) Co(II) has been subject of paramagnetic resonance studies for over 50 years and has been used as a spectroscopic probe for Zn metalloenzymes for over 35 years. However, as will be seen, the inherent complexity of the electronic properties of the cobaltous ion remains to be exploited to offer a wealth of information on Zn(II) enzymatic environments. Specifically, ENDOR measurements on bistrispyrazolylborate cobalt(II) confirm the utility of the novel method of methyl substitution to differentiate dipolar and Fermi contact couplings. An extensive set of electron paramagnetic resonance (EPR) simulations were performed. Software was developed to implement an ENDOR control interface. Finally, proton relaxation measurements were made in the range of 12-42 MHz, which were accounted for with the large g-value anisotropy of the Co(II) compounds. Taken as a whole, these studies point to the rich complexity of the electronic structure of high-spin cobalt(II) and, when sufficiently well-characterized, the great utility it has as a surrogate of biological Zn(II).

Characterization of the Interaction between the Salmonella Type III Secretion System Tip Protein SipD and the Needle Protein PrgI by Paramagnetic Relaxation Enhancement*

PubMed Central

Rathinavelan, Thenmalarchelvi; Tang, Chun; De Guzman, Roberto N.

2011-01-01

Many Gram-negative bacteria that cause major diseases and mortality worldwide require the type III secretion system (T3SS) to inject virulence proteins into their hosts and cause infections. A structural component of the T3SS is the needle apparatus, which consists of a base, an external needle, and a tip complex. In Salmonella typhimurium, the external needle is assembled by the polymerization of the needle protein PrgI. On top of this needle sits a tip complex, which is partly formed by the tip protein SipD. How SipD interacts with PrgI during the assembly of the T3SS needle apparatus remains unknown. The central region of PrgI forms an α-helical hairpin, whereas SipD has a long central coiled-coil, which is a defining structural feature of other T3SS tip proteins as well. Using NMR paramagnetic relaxation enhancement, we have identified a specific region on the SipD coiled-coil that interacts directly with PrgI. We present a model of how SipD might dock at the tip of the needle based on our paramagnetic relaxation enhancement results, thus offering new insight about the mechanism of assembly of the T3SS needle apparatus. PMID:21138848

Electron paramagnetic resonance in Cu-doped ZnO

NASA Astrophysics Data System (ADS)

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.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grachev, Valentin G., E-mail: grachev@physics.montana.edu; Tse, Romand; Malovichko, Galina I.

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} nanoparticlesmore » 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.« less

The NMR contribution to protein-protein networking in Fe-S protein maturation.

PubMed

Banci, Lucia; Camponeschi, Francesca; Ciofi-Baffoni, Simone; Piccioli, Mario

2018-03-22

Iron-sulfur proteins were among the first class of metalloproteins that were actively studied using NMR spectroscopy tailored to paramagnetic systems. The hyperfine shifts, their temperature dependencies and the relaxation rates of nuclei of cluster-bound residues are an efficient fingerprint of the nature and the oxidation state of the Fe-S cluster. NMR significantly contributed to the analysis of the magnetic coupling patterns and to the understanding of the electronic structure occurring in [2Fe-2S], [3Fe-4S] and [4Fe-4S] clusters bound to proteins. After the first NMR structure of a paramagnetic protein was obtained for the reduced E. halophila HiPIP I, many NMR structures were determined for several Fe-S proteins in different oxidation states. It was found that differences in chemical shifts, in patterns of unobserved residues, in internal mobility and in thermodynamic stability are suitable data to map subtle changes between the two different oxidation states of the protein. Recently, the interaction networks responsible for maturing human mitochondrial and cytosolic Fe-S proteins have been largely characterized by combining solution NMR standard experiments with those tailored to paramagnetic systems. We show here the contribution of solution NMR in providing a detailed molecular view of "Fe-S interactomics". This contribution was particularly effective when protein-protein interactions are weak and transient, and thus difficult to be characterized at high resolution with other methodologies.

A novel method for the induction of experimental glaucoma using magnetic microspheres.

PubMed

Samsel, Paulina A; Kisiswa, Lilian; Erichsen, Jonathan T; Cross, Stephen D; Morgan, James E

2011-03-25

The development of a method for the sustained elevation of intraocular pressure in experimental glaucoma based on the anterior chamber injection of paramagnetic microbeads. Unilateral glaucoma was induced in adult male Norwegian Brown rats by the injection of paramagnetic polystyrene microspheres. A handheld 0.45 Tesla magnet was used to draw the beads into the iridocorneal angle to impede aqueous drainage via the trabecular meshwork. Elevated intraocular pressures (IOPs) were induced in 61 rats, resulting in a mean elevation of 5.8 mm Hg ± 1.0 (SEM) relative to the contralateral control eye. The mean duration of sustained IOP elevation (defined as >5 mm Hg relative to the control eye for at least 7 consecutive days) after a single injection was 12.8 days ± 0.9 (SEM, maximum duration 27 days). In all eyes, the visual axis remained clear from the time of injection, with minimal inflammation after injection. Retinal ganglion cell loss was determined in 21 animals (mean integral IOP, 194.5 mm Hg days ± 87.5 [SEM]) as 36.4% ± 2.4 (SEM) compared with the contralateral, untreated eye. The use of paramagnetic microbeads for the occlusion of the iridocorneal angle produces a sustained elevation of IOP with fewer injections and avoids the risk of visual axis occlusion. It represents a simple and effective method for the induction of experimental glaucoma.

Parallel image-acquisition in continuous-wave electron paramagnetic resonance imaging with a surface coil array: Proof-of-concept experiments

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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.

Magnetic ionic liquids in analytical chemistry: A review.

PubMed

Clark, Kevin D; Nacham, Omprakash; Purslow, Jeffrey A; Pierson, Stephen A; Anderson, Jared L

2016-08-31

Magnetic ionic liquids (MILs) have recently generated a cascade of innovative applications in numerous areas of analytical chemistry. By incorporating a paramagnetic component within the cation or anion, MILs exhibit a strong response toward external magnetic fields. Careful design of the MIL structure has yielded magnetoactive compounds with unique physicochemical properties including high magnetic moments, enhanced hydrophobicity, and the ability to solvate a broad range of molecules. The structural tunability and paramagnetic properties of MILs have enabled magnet-based technologies that can easily be added to the analytical method workflow, complement needed extraction requirements, or target specific analytes. This review highlights the application of MILs in analytical chemistry and examines the important structural features of MILs that largely influence their physicochemical and magnetic properties. Copyright © 2016 Elsevier B.V. All rights reserved.

Design of magnetic coordination complexes for quantum computing.

PubMed

Aromí, Guillem; Aguilà, David; Gamez, Patrick; Luis, Fernando; Roubeau, Olivier

2012-01-21

A very exciting prospect in coordination chemistry is to manipulate spins within magnetic complexes for the realization of quantum logic operations. An introduction to the requirements for a paramagnetic molecule to act as a 2-qubit quantum gate is provided in this tutorial review. We propose synthetic methods aimed at accessing such type of functional molecules, based on ligand design and inorganic synthesis. Two strategies are presented: (i) the first consists in targeting molecules containing a pair of well-defined and weakly coupled paramagnetic metal aggregates, each acting as a carrier of one potential qubit, (ii) the second is the design of dinuclear complexes of anisotropic metal ions, exhibiting dissimilar environments and feeble magnetic coupling. The first systems obtained from this synthetic program are presented here and their properties are discussed.

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

PubMed

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.

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

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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.

Iron abundance in the moon from magnetometer measurements

NASA Technical Reports Server (NTRS)

Parkin, C. W.; Dyal, P.; Daily, W. D.

1973-01-01

Apollo 12 and 15 lunar surface magnetometer data with simultaneous lunar orbiting Explorer 35 data are used to plot hysteresis curves for the whole moon. From these curves a whole-moon permeability mu = 1.029 + 0.024 or - 0.019 is calculated. This result implies that the moon is not composed entirely of paramagnetic material, but that ferromagnetic material such as free iron exists in sufficient amounts to dominate the bulk lunar susceptibility. From the magnetic data the ferromagnetic free iron abundance is calculated. Then for assumed compositional models of the moon the additional paramagnetic iron is determined, yielding total lunar iron content. The calculated abundances are as follows: ferromagnetic free iron = 5 + or - 4 wt. percent, and total iron in the moon = 9 + or - 4 wt. percent.

Iron abundance in the moon from magnetometer measurements

NASA Technical Reports Server (NTRS)

Parkin, C. W.; Dyal, P.; Daily, W. D.

1973-01-01

Apollo 12 and 15 lunar surface magnetometer data with simultaneous lunar orbiting Explorer 35 data are used to plot hysteresis curves for the whole moon. From these curves a whole-moon permeability of 1.029 (+0.024 or -0.019) is calculated. This result implies that the moon is not composed entirely of paramagnetic material, but that ferromagnetic material such as free iron exists in sufficient amounts to dominate the bulk lunar susceptibility. From the magnetic data the ferromagnetic free iron abundance is calculated. Then for assumed compositional models of the moon the additional paramagnetic iron is determined, yielding total lunar iron content. The calculated abundances are as follows: ferromagnetic free iron, 5 plus or minus 4 wt %; total iron in the moon, 9 plus or minus 4 wt %.

Magnetic properties of Zn1-xNixO

NASA Astrophysics Data System (ADS)

Mondal, A.; Giri, N.; Sarkar, S.; Ray, Ruma

2018-05-01

Ni doped ZnO (Zn1-xNixO for 0.01 ≤ x ≤ 0.11) have been prepared by chemical precipitation method. X-ray diffraction corroborates a hexagonal wurzite structure without any impurity phases upto 11% Ni doping. Morphology of the particles is investigated by FE-SEM which exhibits either rod or tube like structure depending on the dopant concentration. Magnetization of Zn1-xNixO for 0.03 ≤ x ≤ 0.11 measured at room temperature infers the paramagnetic behavior. Zero field cooled and field cooled magnetization for x = 0.11 follows Curie-Weiss behavior above 122 K with effective paramagnetic moment 3.9μB. The non-linear magnetic hysteresis loop at 2 K with a small coercivity (300 Oe) indicates signature of ferromagnetic ordering.

Hyperfine Sublevel Correlation (HYSCORE) Spectra for Paramagnetic Centers with Nuclear Spin I = 1 Having Isotropic Hyperfine Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maryasov, Alexander G.; Bowman, Michael K.

2004-07-08

It is shown that HYSCORE spectra of paramagnetic centers having nuclei of spin I=1 with isotropic hfi and arbitrary NQI consist of ridges having zero width. A parametric presentation of these ridges is found which shows the range of possible frequencies in the HYSCORE spectrum and aids in spectral assignments and rapid estimation of spin Hamiltonian parameters. An alternative approach for the spectral density calculation is presented that is based on spectral decomposition of the Hamiltonian. Only the eigenvalues of the Hamiltonian are needed in this approach. An atlas of HYSCORE spectra is given in the Supporting Information. This approachmore » is applied to the estimation of the spin Hamiltonian parameters of the oxovanadium-EDTA complex.« less

Optical and Piezoelectric Study of KNN Solid Solutions Co-Doped with La-Mn and Eu-Fe.

PubMed

Peña-Jiménez, Jesús-Alejandro; González, Federico; López-Juárez, Rigoberto; Hernández-Alcántara, José-Manuel; Camarillo, Enrique; Murrieta-Sánchez, Héctor; Pardo, Lorena; Villafuerte-Castrejón, María-Elena

2016-09-28

The solid-state method was used to synthesize single phase potassium-sodium niobate (KNN) co-doped with the La 3+ -Mn 4+ and Eu 3+ -Fe 3+ ion pairs. Structural determination of all studied solid solutions was accomplished by XRD and Rietveld refinement method. Electron paramagnetic resonance (EPR) studies were performed to determine the oxidation state of paramagnetic centers. Optical spectroscopy measurements, excitation, emission and decay lifetime were carried out for each solid solution. The present study reveals that doping KNN with La 3+ -Mn 4+ and Eu 3+ -Fe 3+ at concentrations of 0.5 mol % and 1 mol %, respectively, improves the ferroelectric and piezoelectric behavior and induce the generation of optical properties in the material for potential applications.

Optical and Piezoelectric Study of KNN Solid Solutions Co-Doped with La-Mn and Eu-Fe

PubMed Central

Peña-Jiménez, Jesús-Alejandro; González, Federico; López-Juárez, Rigoberto; Hernández-Alcántara, José-Manuel; Camarillo, Enrique; Murrieta-Sánchez, Héctor; Pardo, Lorena; Villafuerte-Castrejón, María-Elena

2016-01-01

The solid-state method was used to synthesize single phase potassium-sodium niobate (KNN) co-doped with the La3+–Mn4+ and Eu3+–Fe3+ ion pairs. Structural determination of all studied solid solutions was accomplished by XRD and Rietveld refinement method. Electron paramagnetic resonance (EPR) studies were performed to determine the oxidation state of paramagnetic centers. Optical spectroscopy measurements, excitation, emission and decay lifetime were carried out for each solid solution. The present study reveals that doping KNN with La3+–Mn4+ and Eu3+–Fe3+ at concentrations of 0.5 mol % and 1 mol %, respectively, improves the ferroelectric and piezoelectric behavior and induce the generation of optical properties in the material for potential applications. PMID:28773925

Theoretical and experimental studies of the molecular orbital bonding coefficients for Cu{sup 2+} ion in cesium hydrogen oxalate single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalfaoğlu, Emel, E-mail: emelkalfaoglu@mynet.com; Karabulut, Bünyamin

2016-03-25

Electron paramagnetic resonance (EPR) and optical absorption spectra of Cu{sup 2+} ions in cesium hydrogen oxalate single crystals have been investigated at room temperature. The spin-Hamiltonian parameters (g and A), have been determined. Crystalline field around the Cu{sup 2+} ion is almost axially symmetric. The results show a single paramagnetic site which confirms the triclinic crystal symmetry. Molecular orbital bonding coefficients are studied from the EPR and optical data. Theoretical octahedral field parameter and the tetragonal field parameters have been evaluated from the superposition model. Using these parameters, various bonding parameters are analyzed and the nature of bonding in themore » complex is discussed. The theoretical results are supported by experimental results.« less

Electron-beam generated porous dextran gels: experimental and quantum chemical studies.

PubMed

Naumov, Sergej; Knolle, Wolfgang; Becher, Jana; Schnabelrauch, Matthias; Reichelt, Senta

2014-06-01

The aim of this work was to investigate the reaction mechanism of electron-beam generated macroporous dextran cryogels by quantum chemical calculation and electron paramagnetic resonance measurements. Electron-beam radiation was used to initiate the cross-linking reaction of methacrylated dextran in semifrozen aqueous solutions. The pore morphology of the resulting cryogels was visualized by scanning electron microscopy. Quantum chemical calculations and electron paramagnetic resonance studies provided information on the most probable reaction pathway and the chain growth radicals. The most probable reaction pathway was a ring opening reaction and the addition of a C-atom to the double-bond of the methacrylated dextran molecule. First detailed quantum chemical calculation on the reaction mechanism of electron-beam initiated cross-linking reaction of methacrylated dextran are presented.

Tuning Magnetic Order in Transition Metal Oxide Thin Films

NASA Astrophysics Data System (ADS)

Grutter, Alexander John

In recent decades, one of the most active and promising areas of condensed matter research has been that of complex oxides. With the advent of new growth techniques such as pulsed laser deposition and molecular beam epitaxy, a wealth of new magnetic and electronic ground states have emerged in complex oxide heterostructures. The wide variety of ground states in complex oxides is well known and generally attributed to the unprecedented variety of valence, structure, and bonding available in these systems. The tunability of this already diverse playground of states and interactions is greatly multiplied in thin films and heterostructures by the addition of parameters such as substrate induced strain and interfacial electronic reconstruction. Thus, recent studies have shown emergent properties such as the stabilization of ferromagnetism in a paramagnetic system, conductivity at the interface of two insulators, and even exchange bias at the interface between a paramagnet and a ferromagnet. Despite these steps forward, there remains remarkable disagreement on the mechanisms by which these emergent phenomena are stabilized. The contributions of strain, stoichiometry, defects, intermixing, and electronic reconstruction are often very difficult to isolate in thin films and superlattices. This thesis will present model systems for isolating the effects of strain and interfacial electronic interactions on the magnetic state of complex oxides from alternative contributions. We will focus first on SrRuO3, an ideal system in which to isolate substrate induced strain effects. We explore the effects of structural distortions in the simplest case of growth on (100) oriented substrates. We find that parameters including saturated magnetic moment and Curie temperature are all highly tunable through substrate induced lattice distortions. We also report the stabilization of a nonmagnetic spin-zero configuration of Ru4+ in tetragonally distorted films under tensile strain. Through growth on (110) and (111) oriented substrates we explore the effects of different distortion symmetries on SrRuO3 and demonstrate the first reported strain induced transition to a high-spin state of Ru 4+. Finally, we examine the effects of strain on SrRuO3 thin films and demonstrate a completely reversible universal out-of-plane magnetic easy axis on films grown on different substrate orientations. Having demonstrated the ability to tune nearly every magnetic parameter of SrRuO 3 through strain, we turn to magnetic properties at interfaces. We study the emergent interfacial ferromagnetism in superlattices of the paramagnetic metal CaRuO3 and the antiferromagnetic insulator CaMnO3 and demonstrate that the interfacial ferromagnetic layer in this system is confined to a single unit cell of CaMnO3 at the interface. We discuss the remarkable oscillatory dependence of the saturated magnetic moment on the thickness of the CaMnO3 layers and explore mechanisms by which this oscillation may be stabilized. We find long range coherence of the antiferromagnetism of the CaMnO3 layers across intervening layers of paramagnetic CaRuO3. Finally, we utilize the system of LaNiO3/CaMnO3 to separate the effects of intermixing and interfacial electronic reconstruction and conclusively demonstrate intrinsic interfacial ferromagnetism at the interface between a paramagnetic metal and an antiferromagnetic insulator. We find that the emergent ferromagnetism is stabilized through interfacial double exchange and that the leakage of conduction electrons from the paramagnetic metal to the antiferromagnetic insulator is critical to establishing the ferromagnetic ground state.

Properties of nonaqueous electrolytes

NASA Technical Reports Server (NTRS)

Foster, J. N.; Hanson, D. C.; Hon, J. F.; Keller, R.; Muirhead, J. S.

1970-01-01

Physical property measurements and structural studies conducted in aprotic solvents using various solutes are applicable to the further development of lithum batteries. Structural studies utilize nuclear magnetic resonance and electron paramagnetic resonance techniques.

Theory of grain alignment in molecular clouds

NASA Technical Reports Server (NTRS)

Roberge, Wayne G.

1993-01-01

Research accomplishments are presented and include the following: (1) mathematical theory of grain alignment; (2) super-paramagnetic alignment of molecular cloud grains; and (3) theory of grain alignment by ambipolar diffusion.

Interactions of solvent with the heme region of methemoglobin and fluoro-methemoglobin.

PubMed

Koenig, S H; Brown, R D; Lindstrom, T R

1981-06-01

It is now more than 20 years since Davidson and collaborators (1957, Biochim. Biophys, Acta. 26:370-373; J. Mol. Biol. 1:190-191) applied the theoretical ideas of Bloembergen et al. (1948. Phys. Rev. 73:679-712) on outer sphere magnetic relaxation of solvent protons to studies of solutions of methemoglobin. From then on, there has been debate regarding the relative contributions to paramagnetic solvent proton relaxation by inner sphere (ligand-exchange) effects and by outer sphere (diffusional) effects in methemoglobin solutions. Gupta and Mildvan (1975. J. Biol. Chem 250:146-253) extended the early measurements, attributed the relatively small paramagnetic effects to exchange with solvent of the water ligand of the heme-Fe3+ ion, and interpreted their data to indicate cooperativity and an alkaline Bohr effect in the presence of inositol hexaphosphate. They neglected the earlier discussions entirely, and made no reference to outer sphere effects. We have measured the relaxation rate of solvent protons as a function of magnetic field for solutions of methemoglobin, under a variety of conditions of pH and temperature, and have given careful consideration to the relatively large diamagnetic corrections that are necessary by making analogous measurements on oxyhemoglobin, carbonmonoxyhemoglobin, and cyano- and azide-methemoglobin. (The latter two, because of their short electronic relaxation times, behave as though diamagnetic). We show that the paramagnetic contribution to solvent relaxation can be dominated by outer sphere effects, a result implying that many conclusions, including those of Gupta and Mildvan, require reexamination. Finally, we present data for fluoro-methemoglobin, which relaxes solvent protons an order of magnitude better than does methemoglobin. Here one has a startling breakdown of the dogma that has been the basis for interpreting many ligand-replacement studies; in contrast to the prevailing view that replacement of a water ligand of a protein-bound paramagnetic ion by another ligand should decrease relaxation rates, replacement of H2O by F- increases the relaxation rate drastically. The data can all be reconciled, however, with what is anticipated from knowledge of ligand interactions in the heme region.

Electron spin resonance microscopic imaging of oxygen concentration in cancer spheroids

NASA Astrophysics Data System (ADS)

Hashem, Mada; Weiler-Sagie, Michal; Kuppusamy, Periannan; Neufeld, Gera; Neeman, Michal; Blank, Aharon

2015-07-01

Oxygen (O2) plays a central role in most living organisms. The concentration of O2 is important in physiology and pathology. Despite the importance of accurate knowledge of the O2 levels, there is very limited capability to measure with high spatial resolution its distribution in millimeter-scale live biological samples. Many of the current oximetric methods, such as oxygen microelectrodes and fluorescence lifetime imaging, are compromised by O2 consumption, sample destruction, invasiveness, and difficulty to calibrate. Here, we present a new method, based on the use of the pulsed electron spin resonance (ESR) microimaging technique to obtain a 3D mapping of oxygen concentration in millimeter-scale biological samples. ESR imaging requires the incorporation of a suitable stable and inert paramagnetic spin probe into the desirable object. In this work, we use microcrystals of a paramagnetic spin probe in a new crystallographic packing form (denoted tg-LiNc-BuO). These paramagnetic species interact with paramagnetic oxygen molecules, causing a spectral line broadening that is linearly proportional to the oxygen concentration. Typical ESR results include 4D spatial-spectral images that give an indication about the oxygen concentration in different regions of the sample. This new oximetry microimaging method addresses all the problems mentioned above. It is noninvasive, sensitive to physiological oxygen levels, and easy to calibrate. Furthermore, in principle, it can be used for repetitive measurements without causing cell damage. The tissue model used in this research is spheroids of Human Colorectal carcinoma cell line (HCT-116) with a typical diameter of ∼600 μm. Most studies of the microenvironmental O2 conditions inside such viable spheroids carried out in the past used microelectrodes, which require an invasive puncturing of the spheroid and are also not applicable to 3D O2 imaging. High resolution 3D oxygen maps could make it possible to evaluate the relationship between morphological and physiological alterations in the spheroids, which would help understand the oxygen metabolism in solid tumors and its correlation with the susceptibility of tumors to various oncologic treatments.

Electron spin resonance microscopic imaging of oxygen concentration in cancer spheroids.

PubMed

Hashem, Mada; Weiler-Sagie, Michal; Kuppusamy, Periannan; Neufeld, Gera; Neeman, Michal; Blank, Aharon

2015-07-01

Oxygen (O2) plays a central role in most living organisms. The concentration of O2 is important in physiology and pathology. Despite the importance of accurate knowledge of the O2 levels, there is very limited capability to measure with high spatial resolution its distribution in millimeter-scale live biological samples. Many of the current oximetric methods, such as oxygen microelectrodes and fluorescence lifetime imaging, are compromised by O2 consumption, sample destruction, invasiveness, and difficulty to calibrate. Here, we present a new method, based on the use of the pulsed electron spin resonance (ESR) microimaging technique to obtain a 3D mapping of oxygen concentration in millimeter-scale biological samples. ESR imaging requires the incorporation of a suitable stable and inert paramagnetic spin probe into the desirable object. In this work, we use microcrystals of a paramagnetic spin probe in a new crystallographic packing form (denoted tg-LiNc-BuO). These paramagnetic species interact with paramagnetic oxygen molecules, causing a spectral line broadening that is linearly proportional to the oxygen concentration. Typical ESR results include 4D spatial-spectral images that give an indication about the oxygen concentration in different regions of the sample. This new oximetry microimaging method addresses all the problems mentioned above. It is noninvasive, sensitive to physiological oxygen levels, and easy to calibrate. Furthermore, in principle, it can be used for repetitive measurements without causing cell damage. The tissue model used in this research is spheroids of Human Colorectal carcinoma cell line (HCT-116) with a typical diameter of ∼600μm. Most studies of the microenvironmental O2 conditions inside such viable spheroids carried out in the past used microelectrodes, which require an invasive puncturing of the spheroid and are also not applicable to 3D O2 imaging. High resolution 3D oxygen maps could make it possible to evaluate the relationship between morphological and physiological alterations in the spheroids, which would help understand the oxygen metabolism in solid tumors and its correlation with the susceptibility of tumors to various oncologic treatments. Copyright © 2015 Elsevier Inc. All rights reserved.

Electron Paramagnetic Resonance (EPR) Spectroscopy in Studies of the Protective Effects of 24-Epibrasinoide and Selenium against Zearalenone-Stimulation of the Oxidative Stress in Germinating Grains of Wheat.

PubMed

Filek, Maria; Łabanowska, Maria; Kurdziel, Magdalena; Sieprawska, Apolonia

2017-05-27

These studies concentrate on the possibility of using selenium ions and/or 24-epibrassinolide at non-toxic levels as protectors of wheat plants against zearalenone, which is a common and widespread mycotoxin. Analysis using the UHPLC-MS technique allowed for identification of grains having the stress-tolerant and stress-sensitive wheat genotype. When germinating in the presence of 30 µM of zearalenone, this mycotoxin can accumulate in both grains and hypocotyls germinating from these grains. Selenium ions (10 µM) and 24-epibrassinolide (0.1 µM) introduced together with zearalenone decreased the uptake of zearalenone from about 295 to 200 ng/g and from about 350 to 300 ng/g in the grains of tolerant and sensitive genotypes, respectively. As a consequence, this also resulted in a reduction in the uptake of zearalenone from about 100 to 80 ng/g and from about 155 to 128 ng/g in the hypocotyls from the germinated grains of tolerant and sensitive wheat, respectively. In the mechanism of protection against the zearalenone-induced oxidative stress, the antioxidative enzymes-mainly superoxide dismutase (SOD) and catalase (CAT)-were engaged, especially in the sensitive genotype. Electron paramagnetic resonance (EPR) studies allowed for a description of the chemical character of the long-lived organic radicals formed in biomolecular structures which are able to stabilize electrons released from reactive oxygen species as well as the changes in the status of transition paramagnetic metal ions. The presence of zearalenone drastically decreased the amount of paramagnetic metal ions-mainly Mn(II) and Fe(III)-bonded in the organic matrix. This effect was particularly found in the sensitive genotype, in which these species were found at a smaller level. The protective effect of selenium ions and 24-epibrassinolide originated from their ability to inhibit the destruction of biomolecules by reactive oxygen species. An increased ability to defend biomolecules against zearalenone action was observed for 24-epibrassinolide.

Dynamics of structures in active suspensions of paramagnetic particles and applications to artificial micro-swimmers

NASA Astrophysics Data System (ADS)

Keaveny, Eric Edward

Micron-size paramagnetic particles suspended in viscous fluid will aggregate to form linear chains when subject to a uniform magnetic field. This process provides a way of changing the rheological properties of a suspension or building structures for microfluidic devices. We present a method to efficiently and accurately quantify the magnetic interactions between these particles. With this model and the force-coupling method, we perform simulations of both small ensembles and suspensions of thousands of paramagnetic particles subject to shear flows or rotating applied magnetic fields and demonstrate that in these situations an accurate representation of the fluid forces is necessary to estimate chain length. The artificial micro-swimmer is a device constructed from a flagellum-like tail of chemically linked paramagnetic beads tethered to a human red blood cell. To simulate this device, we develop an elastic coupling model that treats each chemical link as an inextensible, flexible rod. We demonstrate that when this device is subject to a rotating applied magnetic field, the filament tail will deform into a helical shape rotating with the field and propel the swimmer through the viscous fluid. Using a continuous elastica/resistive force model, we explore further the dependence of the swimming speed on the magnetic forces and swimmer geometry in the low frequency limit. We then examine the interactions between two comoving swimmers and ascertain at what separation distance a far-field approximation of the hydrodynamics is sufficient to reproduce the swimmers' dynamics. We also provide simulations of a single swimmer near a rigid surface and demonstrate that under certain conditions the presence of a wall can enhance the swimming speed. We determine further the height dependence of the repulsion from the surface, and, in the case of the spiral swimmer, the lateral drift speed. Finally, we consider a "squirmer" model for a swimming microorganism, appropriate for ciliary propulsion on time-scales much larger than the period of ciliary beating. We show that the "squirmer" model within the force-coupling method framework provides an effective simulation tool for studying low volume fraction suspensions of microorganisms.

Study on Separation of Structural Isomer with Magneto-Archimedes method

NASA Astrophysics Data System (ADS)

Kobayashi, T.; Mori, T.; Akiyama, Y.; Mishima, F.; Nishijima, S.

2017-09-01

Organic compounds are refined by separating their structural isomers, however each separation method has some problems. For example, distillation consumes large energy. In order to solve these problems, new separation method is needed. Considering organic compounds are diamagnetic, we focused on magneto-Archimedes method. With this method, particle mixture dispersed in a paramagnetic medium can be separated in a magnetic field due to the difference of the density and magnetic susceptibility of the particles. In this study, we succeeded in separating isomers of phthalic acid as an example of structural isomer using MnCl2 solution as the paramagnetic medium. In order to use magneto-Archimedes method for separating materials for food or medicine, we proposed harmless medium using oxygen and fluorocarbon instead of MnCl2 aqueous solution. As a result, the possibility of separating every structural isomer was shown.

Spectroscopic and photoacoustic characterization of encapsulated iron oxide super-paramagnetic nanoparticles as a new multiplatform contrast agent

NASA Astrophysics Data System (ADS)

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.

A new pulse width reduction technique for pulsed electron paramagnetic resonance spectroscopy.

PubMed

Ohba, Yasunori; Nakazawa, Shigeaki; Kazama, Shunji; Mizuta, Yukio

2008-03-01

We present a new technique for a microwave pulse modulator that generates a short microwave pulse of approximately 1ns for use in an electron paramagnetic resonance (EPR) spectrometer. A quadruple-frequency multiplier that generates a signal of 16-20GHz from an input of 4-5GHz was employed to reduce the rise and fall times of the pulse prepared by a PIN diode switch. We examined the transient response characteristics of a commercial frequency multiplier and found that the device can function as a multiplier for pulsed signal even though it was designed for continuous wave operation. We applied the technique to a Ku band pulsed EPR spectrometer and successfully observed a spin echo signal with a broad excitation bandwidth of approximately 1.6mT using 80 degrees pulses of 1.5ns.

EPR investigation of gamma-irradiated L-citrulline, α-methyl-DL-serine, 3-fluoro-DL-valine and N-acetyl-L-cysteine

NASA Astrophysics Data System (ADS)

Osmanoğlu, Y. Emre; Sütçü, Kerem; Başkan, M. Halim

2017-02-01

The spectroscopic parameters of the paramagnetic species produced in gamma-irradiated L-citrulline, α-methyl-DL-serine, 3-fluoro-DL-valine and N-acetyl-L-cysteine were investigated at room temperature at a dose of 20 kGy by using EPR technique. The paramagnetic species were attributed to NH2CONH(CH2)3ĊNH2COOH, HOCH2ĊCH3COOH and HOĊHCCH3NH2COOH, CH3CH3ĊCHNH2COOH and SHCH2ĊNHCOCH3COOH radicals, respectively. EPR data of the unpaired electron with the environmental protons and 14N nucleus were used to characterize the contributing radicals produced in gamma irradiated compounds. In this paper, the stability of these compounds at room temperature after irradiation was also studied.

Study of free radicals in gamma irradiated cellulose of cultural heritage materials using Electron Paramagnetic Resonance

NASA Astrophysics Data System (ADS)

Kodama, Yasko; Rodrigues, Orlando, Jr.; Garcia, Rafael Henrique Lazzari; Santos, Paulo de Souza; Vasquez, Pablo A. S.

2016-07-01

Main subject of this article was to study room temperature stable radicals in Co-60 gamma irradiated contemporary paper using Electron Paramagnetic Resonance spectrometer (EPR). XRD was used to study the effect of ionizing radiation on the morphology of book paper. SEM images presented regions with cellulose fibers and regions with particles agglomeration on the cellulose fibers. Those agglomerations were rich in calcium, observed by EDS. XRD analysis confirmed presence of calcium carbonate diffraction peaks. The main objective of this study was to propose a method using conventional kinetics chemical reactions for the observed radical formed by ionizing radiation. Therefore, further analyses were made to study the half-life and the kinetics of the free radical created. This method can be suitably applied to study radicals on cultural heritage objects.

Paramagnetic Gd IIIFe III heterobimetallic complexes of DTPA-bis-salicylamide

NASA Astrophysics Data System (ADS)

Aime, S.; Botta, M.; Fasano, M.; Terreno, E.

1993-08-01

The reaction between DTPA (diethylenetriaminepenta-acetic acid)-anhydride and p-aminosalicylic acid (PAS) affords a novel ligand, [DTPA(PAS) 2], able to form stable heterobimetallic complexes with Gd 3+ and Fe 3+ ions. The lanthanide ion occupies an internal coordination cage formed by three nitrogen atoms, two carboxylate and two carboxoamido groups of the ligand, whereas the outer salicylic moieties form stable chelate rings with Fe III ions. The stoichiometry of the resulting heterobimetallic complexes, established by measurements of water proton relaxation enhancement, is [(H 2O)-Gd-DTPA(PAS) 2] 2-Fe(H 2O) 2 or [(H 2O)-Gd-DTPA(PAS) 2] 3-Fe depending on the pH of the aqueous solution. The individual contributions to the observed relaxation enhancement from Gd 3+ and Fe 3+ paramagnetic ions have been clearly distinguished and analysed.

Classical topological paramagnetism

NASA Astrophysics Data System (ADS)

Bondesan, R.; Ringel, Z.

2017-05-01

Topological phases of matter are one of the hallmarks of quantum condensed matter physics. One of their striking features is a bulk-boundary correspondence wherein the topological nature of the bulk manifests itself on boundaries via exotic massless phases. In classical wave phenomena, analogous effects may arise; however, these cannot be viewed as equilibrium phases of matter. Here, we identify a set of rules under which robust equilibrium classical topological phenomena exist. We write simple and analytically tractable classical lattice models of spins and rotors in two and three dimensions which, at suitable parameter ranges, are paramagnetic in the bulk but nonetheless exhibit some unusual long-range or critical order on their boundaries. We point out the role of simplicial cohomology as a means of classifying, writing, and analyzing such models. This opens an experimental route for studying strongly interacting topological phases of spins.

EPR oximetry in three spatial dimensions using sparse spin distribution

NASA Astrophysics Data System (ADS)

Som, Subhojit; Potter, Lee C.; Ahmad, Rizwan; Vikram, Deepti S.; Kuppusamy, Periannan

2008-08-01

A method is presented to use continuous wave electron paramagnetic resonance imaging for rapid measurement of oxygen partial pressure in three spatial dimensions. A particulate paramagnetic probe is employed to create a sparse distribution of spins in a volume of interest. Information encoding location and spectral linewidth is collected by varying the spatial orientation and strength of an applied magnetic gradient field. Data processing exploits the spatial sparseness of spins to detect voxels with nonzero spin and to estimate the spectral linewidth for those voxels. The parsimonious representation of spin locations and linewidths permits an order of magnitude reduction in data acquisition time, compared to four-dimensional tomographic reconstruction using traditional spectral-spatial imaging. The proposed oximetry method is experimentally demonstrated for a lithium octa- n-butoxy naphthalocyanine (LiNc-BuO) probe using an L-band EPR spectrometer.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herojit Singh, L.; Govindaraj, R., E-mail: govind@igcar.gov.in; Rajagopalan, S.

Mössbauer spectroscopic studies have been carried out at different temperatures across ferromagnetic to paramagnetic transition in Ni{sub 50}Fe{sub 35}Co{sub 15} and the evolution of hyperfine parameters such as centre shift and magnetic hyperfine fields with temperature has been studied. Mössbauer spectrum obtained at 300 K in Ni{sub 50}Fe{sub 35}Co{sub 15} exhibiting fcc crystal structure is a six line pattern with the mean value of the hyperfine field close to 33 Tesla. Ferromagnetic to paramagnetic transition has been observed to occur in this system around 895 K matching with that of magnetization results. Debye temperature of this nickel rich alloy ismore » deduced to be around 470 K matching with that of Ni. Effect of prolonged annealing at 750 K on the magnetic property is also investigated with respect to the thermal stability of the alloy.« less

Filling-enforced nonsymmorphic Kondo semimetals in two dimensions

NASA Astrophysics Data System (ADS)

Pixley, J. H.; Lee, SungBin; Brandom, B.; Parameswaran, S. A.

2017-08-01

We study the competition between Kondo screening and frustrated magnetism on the nonsymmorphic Shastry-Sutherland Kondo lattice at a filling of two conduction electrons per unit cell. This model is known to host a set of gapless partially Kondo screened phases intermediate between the Kondo-destroyed paramagnet and the heavy Fermi liquid. Based on crystal symmetries, we argue that (i) both the paramagnet and the heavy Fermi liquid are semimetals protected by a glide symmetry; and (ii) partial Kondo screening breaks the symmetry, removing this protection and allowing the partially Kondo screened phase to be deformed into a Kondo insulator via a Lifshitz transition. We confirm these results using large-N mean-field theory and then use nonperturbative arguments to derive a generalized Luttinger sum rule constraining the phase structure of two-dimensional nonsymmorphic Kondo lattices beyond the mean-field limit.

A compensating point defect in carbon-doped GaN substrates studied with electron paramagnetic resonance spectroscopy

NASA Astrophysics Data System (ADS)

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.

Weak arrest-like and field-driven first order magnetic phase transitions of itinerant Fe3Ga4 revealed by magnetization and magnetoresistance isotherms

NASA Astrophysics Data System (ADS)

Samatham, S. Shanmukharao; Suresh, K. G.

2017-01-01

The detailed magnetic study of complex 3d-electron based Fe3Ga4 is reported. It undergoes paramagnetic to antiferromagnetic (TN) and antiferromagnetic to ferromagnetic (TC) transitions respectively around 380 and 70 K. The thermal hysteresis of field-cooled cooling (FCC) and field-cooled warming (FCW) hints at first order phase transition below Curie temperature. A weak phase coexistence of ferro and antiferromagnetic phases is suggested by exploring the arrest-like first-order phenomenon. In the intermediate temperature range, field-driven metamagnetic transition from antiferro to ferromagnetic phase is confirmed. Further bringing the system very near to TN, field-induced transitions disappear and above TN predominant paramagnetic contribution is evident. The magnetic H-T phase diagram distinguishing different magnetic phases of Fe3Ga4 is obtained.

Magnetic levitation in the analysis of foods and water.

PubMed

Mirica, Katherine A; Phillips, Scott T; Mace, Charles R; Whitesides, George M

2010-06-09

This paper describes a method and a sensor that use magnetic levitation (MagLev) to characterize samples of food and water on the basis of measurements of density. The sensor comprises two permanent NdFeB magnets positioned on top of each other in a configuration with like poles facing and a container filled with a solution of paramagnetic ions. Measurements of density are obtained by suspending a diamagnetic object in the container filled with the paramagnetic fluid, placing the container between the magnets, and measuring the vertical position of the suspended object. MagLev was used to estimate the salinity of water, to compare a variety of vegetable oils on the basis of the ratio of polyunsaturated fat to monounsaturated fat, to compare the contents of fat in milk, cheese, and peanut butter, and to determine the density of grains.

Electron paramagnetic resonance study of alinement induced by magnetic fields in two smectic-A liquid crystals not exhibiting nematic phases

NASA Technical Reports Server (NTRS)

Fryburg, G. C.; Gelerinter, E.

1972-01-01

Using vanadyl acetylacetonate (VAAC) as a paramagnetic probe, the molecular ordering in two smectic-A liquid crystals that do not display nematic phases were studied. Reproducible alinement was attained by slow cooling throughout the isotropic smectic-A transition in dc magnetic fields of 1.1 and 2.15 teslas. The degree of order attained is small for a smectic-A liquid crystal. Measurements were made of the variation of the average hyperfine splitting of the alined samples as a function of orientation relative to the dc magnetic field of the spectrometer. This functional dependence is in agreement with the theoretical prediction except where the viscosity of the liquid crystal becomes large enough to slow the tumbling of the VAAC, as indicated by asymmetry in the end lines of the spectrum.

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

PubMed

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.

Studying metal impurities (Mn2+, Cu2+, Fe3+) in calcium phosphates by electron paramagnetic resonance

NASA Astrophysics Data System (ADS)

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.

Magnetic behavior of the nanophase of YbNi2 alloys

NASA Astrophysics Data System (ADS)

Ivanshin, V. A.; Gataullin, E. M.; Sukhanov, A. A.; Ivanshin, N. A.; Rojas, D. P.; Fernández Barquín, L.

2017-04-01

Variations in magnetic properties of the heavy-fermion YbNi2 alloy when milled in a high energy ball milling system have been investigated. The ferromagnetic transition ( T C = 10.4 K) in the initial sample almost vanishes after milling, which leads to the appearance of a magnetic transition at T* = 3.2 K in nanocrystallites. Before milling, processes of spin-lattice relaxation of the Orbach-Aminov type with the participation of the first excited Stark sublevel of the Yb3+ ion located at 75 K are dominating in the electron spin dynamics in the paramagnetic phase of the alloy. A comparative study of the temperature dependence of the magnetic properties and spectra of electron paramagnetic resonance in poly- and nanocrystalline samples indicates the existence of a magnetic inhomogeneity of the compound arising upon milling.

Bifunctional supramolecular systems on the platform of p-sulfonatothiacalix[4]arene containing photochromic mononitrosyl Ru (II) and paramagnetic aqua Gd or Dy complexes

NASA Astrophysics Data System (ADS)

Kushch, L. A.; Yagubskii, E. B.; Dmitriev, A. I.; Morgunov, R. B.; Emel'Yanov, V. A.; Mustafina, A. R.; Gubaidullin, A. T.; Burilov, V. A.; Solovieva, S. E.; Schaniel, D.; Woike, Th.

2010-06-01

Two bifunctional supramolecular systems [RuNO(NH3)4OH]2+·[RuNO(NH3)4H2O]3+·Gd3+(H2O)6·2[TCAS]4-·4H2O (1) and [RuNO(NH3)4OH]2+·[RuNO(NH3)4H2O]3+·Dy3+(H2O)6·2[TCAS]4-·4H2O (2) on the platform of p-sulfonatothiacalix[4]arene containing photochromic mononitrosyl Ru and paramagnetic rare-earth (Gd3+, Dy3+) cations have been synthesized. The crystal structures of 1 and 2 are discussed. Their photochromic, magnetic and photomagnetic properties studied by IR and SQUID experimental techniques are presented

Magnetization and transport properties of single RPd2P2 (R=Y, La-Nd, Sm-Ho, Yb)

NASA Astrophysics Data System (ADS)

Drachuck, Gil; Boehmer, Anna; Bud'Ko, Sergey L.; Canfield, Paul

Single crystals of RPd2P2 (R=Y, La-Nd, Sm-Ho, Yb) were grown using a self-flux method and were characterized by room-temperature powder X-ray diffraction, anisotropic temperature and field dependent magnetization and temperature dependent in-plane resistivity. Anisotropic magnetic properties, arising mostly from crystal electric field (CEF) effects, were observed for most magnetic rare earths. The experimentally estimated CEF parameters B02 were calculated from the anisotropic paramagnetic θab and θcvalues. Ordering temperatures, as well as the polycrystalline averaged paramagnetic Curie-Weiss temperature, θave, were extracted from magnetization and resistivity measurements. Work done at Ames Laboratory was supported by US Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-07CH111358.

Magnetic properties, water proton relaxivities, and in-vivo MR images of paramagnetic nanoparticles

NASA Astrophysics Data System (ADS)

Lee, Gang Ho; Chang, Yongmin

2015-07-01

In this mini review, magnetic resonance imaging (MRI) contrast agents based on lanthanideoxide (Ln2O3) nanoparticles are described. Ln2O3 (Ln = Gd, Dy, Ho, and Er) nanoparticles are paramagnetic, but show appreciable magnetic moments at room temperature and even at ultrasmall particle diameters. Among Ln2O3 nanoparticles, Gd2O3 nanoparticles show larger longitudinal water proton relaxivity (r1) values than Gd-chelates because of the large amount of Gd in the nanoparticle, and the other Ln2O3 nanoparticles (Ln = Dy, Ho, and Er) show appreciable transverse water proton relaxivity (r2) values. Therefore, Gd2O3 nanoparticles are potential T1 MRI contrast agents while the other Ln2O3 nanoparticles are potential T2 MRI contrast agents at high MR fields.

Horizontal deflection of single particle in a paramagnetic fluid.

PubMed

Liu, S; Yi, Xiang; Leaper, M; Miles, N J

2014-06-01

This paper describes the horizontal deflection behaviour of a single particle in paramagnetic fluids under a high-gradient superconducting magnetic field. A glass box was designed to carry out experiments and test assumptions. It was found that the particles were deflected away from the magnet bore centre and particles with different density and/or susceptibility settled at a certain position on the container floor due to the combined forces of gravity and magneto-Archimedes as well as lateral buoyant (displacement) force. Matlab was chosen to simulate the movement of the particle in the magnetic fluid, the simulation results were in good accordance with experimental data. The results presented here, though, are still very much in their infancy, which could potentially form the basis of a new approach to separating materials based on a combination of density and susceptibility.

Magnetic properties of graphene quantum dots

NASA Astrophysics Data System (ADS)

Espinosa-Ortega, T.; Luk'yanchuk, I. A.; Rubo, Y. G.

2013-05-01

Using the tight-binding approximation we calculated the diamagnetic susceptibility of graphene quantum dots (GQDs) of different geometrical shapes and characteristic sizes of 2-10 nm, when the magnetic properties are governed by the electron edge states. Two types of edge states can be discerned: the zero-energy states (ZESs), located exactly at the zero-energy Dirac point, and the dispersed edge states (DESs), with the energy close but not exactly equal to zero. DESs are responsible for a temperature-independent diamagnetic response, while ZESs provide a temperature-dependent spin paramagnetism. Hexagonal, circular, and randomly shaped GQDs contain mainly DESs, and, as a result, they are diamagnetic. The edge states of the triangular GQDs are of ZES type. These dots reveal the crossover between spin paramagnetism, dominating for small dots and at low temperatures, and orbital diamagnetism, dominating for large dots and at high temperatures.

Paramagnetic capture mode magnetophoretic microseparator for high efficiency blood cell separations.

PubMed

Han, Ki-Ho; Frazier, A Bruno

2006-02-01

This paper presents the characterization of continuous single-stage and three-stage cascade paramagnetic capture (PMC) mode magnetophoretic microseparators for high efficiency separation of red and white blood cells from diluted whole blood based on their native magnetic properties. The separation mechanism for both PMC microseparators is based on a high gradient magnetic separation (HGMS) method. This approach enables separation of blood cells without the use of additives such as magnetic beads. Experimental results for the single-stage PMC microseparator show that 91.1% of red blood cells were continuously separated from the sample at a volumetric flow rate of 5 microl h-1. In addition, the three-stage cascade PMC microseparator continuously separated 93.5% of red blood cells and 97.4% of white blood cells from whole blood at a volumetric flow rate of 5 microl h-1.

Terahertz and infrared spectroscopic evidence of phonon-paramagnon coupling in hexagonal piezomagnetic YMnO3

NASA Astrophysics Data System (ADS)

Kadlec, C.; Goian, V.; Rushchanskii, K. Z.; Kužel, P.; Ležaić, M.; Kohn, K.; Pisarev, R. V.; Kamba, S.

2011-11-01

Terahertz and far-infrared electric and magnetic responses of hexagonal piezomagnetic YMnO3 single crystals are investigated. Antiferromagnetic resonance is observed in the spectra of magnetic permeability μa [H(ω) oriented within the hexagonal plane] below the Néel temperature TN. This excitation softens from 41 to 32 cm-1 upon heating and finally disappears above TN. An additional weak and heavily-damped excitation is seen in the spectra of complex dielectric permittivity ɛc within the same frequency range. This excitation contributes to the dielectric spectra in both antiferromagnetic and paramagnetic phases. Its oscillator strength significantly increases upon heating toward room temperature, thus providing evidence of piezomagnetic or higher-order couplings to polar phonons. Other heavily-damped dielectric excitations are detected near 100 cm-1 in the paramagnetic phase in both ɛc and ɛa spectra, and they exhibit similar temperature behavior. These excitations appearing in the frequency range of magnon branches well below polar phonons could remind electromagnons, however their temperature dependence is quite different. We have used density functional theory for calculating phonon dispersion branches in the whole Brillouin zone. A detailed analysis of these results and of previously published magnon dispersion branches brought us to the conclusion that the observed absorption bands stem from phonon-phonon and phonon-paramagnon differential absorption processes. The latter is enabled by strong short-range in-plane spin correlations in the paramagnetic phase.

Utilizing tagged paramagnetic shift reagents to monitor protein dynamics by NMR.

PubMed

Ye, Libin; Van Eps, Ned; Li, Xiang; Ernst, Oliver P; Prosser, R Scott

2017-11-01

Calmodulin is a ubiquitous calcium sensor protein, known to serve as a critical interaction hub with a wide range of signaling partners. While the holo form of calmodulin (CaM-4Ca 2+ ) has a well-defined ground state structure, it has been shown to undergo exchange, on a millisecond timescale, to a conformation resembling that of the peptide bound state. Tagged paramagnetic relaxation agents have been previously used to identify long-range dipolar interactions through relaxation effects on nuclear spins of interest. In the case of calmodulin, this lead to the determination of the relative orientation of the N- and C-terminal domains and the presence of a weakly populated peptide bound like state. Here, we make use of pseudocontact shifts from a tagged paramagnetic shift reagent which allows us to define minor states both in 13 C and 15 N NMR spectra and through 13 C- and 15 N-edited 1 H-CPMG relaxation dispersion measurements. This is validated by pulsed EPR (DEER) spectroscopy which reveals an ensemble consisting of a compact peptide-bound like conformer, an intermediate peptide-bound like conformer, and a (dumbbell-like) extended ground state conformer of CaM-4Ca 2+ , where addition of the MLCK peptide increases the population of the peptide-bound conformers. This article is part of a Special Issue entitled: Biophysics in Canada, edited by Lewis Kay, John Baenziger, Albert Berghuis and Peter Tieleman. Copyright © 2017 Elsevier B.V. All rights reserved.

Local geometric and electronic structures and origin of magnetism in Co-doped BaTiO3 multiferroics

NASA Astrophysics Data System (ADS)

Phan, The-Long; Thang, P. D.; Ho, T. A.; Manh, T. V.; Thanh, Tran Dang; Lam, V. D.; Dang, N. T.; Yu, S. C.

2015-05-01

We have prepared polycrystalline samples BaTi1-xCoxO3 (x = 0-0.1) by solid-state reaction. X-ray diffraction and Raman-scattering studies reveal the phase separation in crystal structure as changing Co-doping content (x). The samples with x = 0-0.01 are single phase in a tetragonal structure. At higher doping contents (x > 0.01), there is the formation and development of a secondary hexagonal phase. Magnetization measurements at room temperature indicate a coexistence of paramagnetic and weak-ferromagnetic behaviors in BaTi1-xCoxO3 samples with x > 0, while pure BaTiO3 is diamagnetic. Both these properties increase with increasing x. Analyses of X-ray absorption spectra recorded from BaTi1-xCoxO3 for the Co and Ti K-edges indicate the presence of Co2+ and Co3+ ions. They locate in the Ti4+ site of the tetragonal and hexagonal BaTiO3 structures. Particularly, there is a shift of oxidation state from Co2+ to Co3+ when Co-doping content increases. We believe that the paramagnetic nature in BaTi1-xCoxO3 samples is due to isolated Co2+ and Co3+ centers. The addition of Co3+ ions enhances the paramagnetic behavior. Meanwhile, the origin of ferromagnetism is due to lattice defects, which is less influenced by the changes caused by the variation in concentration of Co2+ and Co3+ ions.

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.

PubMed

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.

Utilization of paramagnetic microparticles for automated isolation of free circulating mRNA as a new tool in prostate cancer diagnostics.

PubMed

Fojtu, Michaela; Gumulec, Jaromir; Balvan, Jan; Raudenska, Martina; Sztalmachova, Marketa; Polanska, Hana; Smerkova, Kristyna; Adam, Vojtech; Kizek, Rene; Masarik, Michal

2014-02-01

Determination of serum mRNA gained a lot of attention in recent years, particularly from the perspective of disease markers. Streptavidin-modified paramagnetic particles (SMPs) seem an interesting technique, mainly due to possible automated isolation and high efficiency. The aim of this study was to optimize serum isolation protocol to reduce the consumption of chemicals and sample volume. The following factors were optimized: amounts of (i) paramagnetic particles, (ii) oligo(dT)20 probe, (iii) serum, and (iv) the binding sequence (SMPs, oligo(dT)20 , serum vs. oligo(dT)20 , serum and SMPs). RNA content was measured, and the expression of metallothionein-2A as possible prostate cancer marker was analyzed to demonstrate measurable RNA content with ability for RT-PCR detection. Isolation is possible on serum volume range (10-200 μL) without altering of efficiency or purity. Amount of SMPs can be reduced up to 5 μL, with optimal results within 10-30 μL SMPs. Volume of oligo(dT)20 does not affect efficiency, when used within 0.1-0.4 μL. This optimized protocol was also modified to fit needs of automated one-step single-tube analysis with identical efficiency compared to conventional setup. One-step analysis protocol is considered a promising simplification, making RNA isolation suitable for automatable process. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optical manifestation of the Stoner ferromagnetic transition in two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Van'kov, A. B.; Kaysin, B. D.; Kukushkin, I. V.

2017-12-01

We perform a magneto-optical study of a two-dimensional electron systems in the regime of the Stoner ferromagnetic instability for even quantum Hall filling factors on MgxZn1 -xO /ZnO heterostructures. Under conditions of Landau-level crossing, caused by enhanced spin susceptibility in combination with the tilting of the magnetic field, the transition between two rivaling phases, paramagnetic and ferromagnetic, is traced in terms of optical spectra reconstruction. Synchronous sharp transformations are observed both in the photoluminescence structure and parameters of collective excitations upon transition from paramagnetic to ferromagnetic ordering. Based on these measurements, a phase diagram is constructed in terms of the two-dimensional electron density and tilt angle of the magnetic field. Apart from stable paramagnetic and ferromagnetic phases, an instability region is found at intermediate parameters with the Stoner transition occurring at ν ≈2 . The spin configuration in all cases is unambiguously determined by means of inelastic light scattering by spin-sensitive collective excitations. One indicator of the spin ordering is the intra-Landau-level spin exciton, which acquires a large spectral weight in the ferromagnetic phases. The other is an abrupt energy shift of the intersubband charge density excitation due to reconstruction of the many-particle energy contribution. From our analysis of photoluminescence and light scattering data, we estimate the ratio of surface areas occupied by the domains of the two phases in the vicinity of a transition point. In addition, the thermal smearing of a phase transition is characterized.

Searching for protein binding sites from Molecular Dynamics simulations and paramagnetic fragment-based NMR studies.

PubMed

Bernini, Andrea; Henrici De Angelis, Lucia; Morandi, Edoardo; Spiga, Ottavia; Santucci, Annalisa; Assfalg, Michael; Molinari, Henriette; Pillozzi, Serena; Arcangeli, Annarosa; Niccolai, Neri

2014-03-01

Hotspot delineation on protein surfaces represents a fundamental step for targeting protein-protein interfaces. Disruptors of protein-protein interactions can be designed provided that the sterical features of binding pockets, including the transient ones, can be defined. Molecular Dynamics, MD, simulations have been used as a reliable framework for identifying transient pocket openings on the protein surface. Accessible surface area and intramolecular H-bond involvement of protein backbone amides are proposed as descriptors for characterizing binding pocket occurrence and evolution along MD trajectories. TEMPOL induced paramagnetic perturbations on (1)H-(15)N HSQC signals of protein backbone amides have been analyzed as a fragment-based search for surface hotspots, in order to validate MD predicted pockets. This procedure has been applied to CXCL12, a small chemokine responsible for tumor progression and proliferation. From combined analysis of MD data and paramagnetic profiles, two CXCL12 sites suitable for the binding of small molecules were identified. One of these sites is the already well characterized CXCL12 region involved in the binding to CXCR4 receptor. The other one is a transient pocket predicted by Molecular Dynamics simulations, which could not be observed from static analysis of CXCL12 PDB structures. The present results indicate how TEMPOL, instrumental in identifying this transient pocket, can be a powerful tool to delineate minor conformations which can be highly relevant in dynamic discovery of antitumoral drugs. Copyright © 2013 Elsevier B.V. All rights reserved.

Probing the surface of a sweet protein: NMR study of MNEI with a paramagnetic probe

PubMed Central

Niccolai, Neri; Spadaccini, Roberta; Scarselli, Maria; Bernini, Andrea; Crescenzi, Orlando; Spiga, Ottavia; Ciutti, Arianna; Di Maro, Daniela; Bracci, Luisa; Dalvit, Claudio; Temussi, Piero A.

2001-01-01

The design of safe sweeteners is very important for people who are affected by diabetes, hyperlipemia, and caries and other diseases that are linked to the consumption of sugars. Sweet proteins, which are found in several tropical plants, are many times sweeter than sucrose on a molar basis. A good understanding of their structure–function relationship can complement traditional SAR studies on small molecular weight sweeteners and thus help in the design of safe sweeteners. However, there is virtually no sequence homology and very little structural similarity among known sweet proteins. Studies on mutants of monellin, the best characterized of sweet proteins, proved not decisive in the localization of the main interaction points of monellin with its receptor. Accordingly, we resorted to an unbiased approach to restrict the search of likely areas of interaction on the surface of a typical sweet protein. It has been recently shown that an accurate survey of the surface of proteins by appropriate paramagnetic probes may locate interaction points on protein surface. Here we report the survey of the surface of MNEI, a single chain monellin, by means of a paramagnetic probe, and a direct assessment of bound water based on an application of ePHOGSY, an NMR experiment that is ideally suited to detect interactions of small ligands to a protein. Detailed surface mapping reveals the presence, on the surface of MNEI, of interaction points that include residues previously predicted by ELISA tests and by mutagenesis. PMID:11468346

High resolution in-operando microimaging of solar cells with pulsed electrically-detected magnetic resonance

NASA Astrophysics Data System (ADS)

Katz, Itai; Fehr, Matthias; Schnegg, Alexander; Lips, Klaus; Blank, Aharon

2015-02-01

The in-operando detection and high resolution spatial imaging of paramagnetic defects, impurities, and states becomes increasingly important for understanding loss mechanisms in solid-state electronic devices. Electron spin resonance (ESR), commonly employed for observing these species, cannot meet this challenge since it suffers from limited sensitivity and spatial resolution. An alternative and much more sensitive method, called electrically-detected magnetic resonance (EDMR), detects the species through their magnetic fingerprint, which can be traced in the device's electrical current. However, until now it could not obtain high resolution images in operating electronic devices. In this work, the first spatially-resolved electrically-detected magnetic resonance images (EDMRI) of paramagnetic states in an operating real-world electronic device are provided. The presented method is based on a novel microwave pulse sequence allowing for the coherent electrical detection of spin echoes in combination with powerful pulsed magnetic-field gradients. The applicability of the method is demonstrated on a device-grade 1-μm-thick amorphous silicon (a-Si:H) solar cell and an identical device that was degraded locally by an electron beam. The degraded areas with increased concentrations of paramagnetic defects lead to a local increase in recombination that is mapped by EDMRI with ∼20-μm-scale pixel resolution. The novel approach presented here can be widely used in the nondestructive in-operando three-dimensional characterization of solid-state electronic devices with a resolution potential of less than 100 nm.

Paramagnetic decoration of DNA origami nanostructures by Eu³⁺ coordination.

PubMed

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.

Why Is Benzene Unique? Screening Magnetic Properties of C6 H6 Isomers.

PubMed

Janda, Tomáš; Foroutan-Nejad, Cina

2018-05-25

Magnetic properties are commonly used to identify new aromatic molecules because it is generally believed that magnetization and energetic stability are correlated. To verify the potential correlation between the energy and magnetic response properties, we examined a set of 198 isomers of C 6 H 6 . The energy and magnetic properties of these molecules can be directly compared with no need to invoke any arbitrary reference state because the studied systems are all isomers. Benzene is the global minimum on the potential energy surface of C 6 H 6 , 35 kcal mol -1 lower in energy than the second most stable isomer, fulvene. Unlike its electronic energy, isotropic magnetizability of benzene is slightly lower than the average magnetizability of its isomers. Altogether, 44 isomers of C 6 H 6 were identified to have more negative magnetic susceptibility than benzene but were between 67.0 to 168.6 kcal mol -1 higher in energy than benzene. However, benzene is unique in two ways. Analyzing the paramagnetic contribution to the magnetic susceptibility as originally suggested by Bilde and Hansen (Mol. Phys., 1997, 92, 237) revealed that 53 molecules have lower paramagnetic susceptibility than benzene but among monocyclic systems benzene has the least paramagnetic susceptibility. Furthermore, benzene has the largest out-of-plane magnetic susceptibility that originates from the strongest ring current among all studied species. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Relative diffusion of paramagnetic metal complexes of MRI contrast agents in an isotropic hydrogel medium.

PubMed

Weerakoon, Bimali Sanjeevani; Osuga, Toshiaki

2017-03-01

The observation of molecular diffusion by means of magnetic resonance imaging (MRI) is significant in the evaluation of the metabolic activity of living tissues. Series of MRI examinations were conducted on a diffusion model to study the behaviour of the diffusion process of different-molecular-weight (MW) paramagnetic MRI contrast agents in an isotropic agar hydrogel medium. The model consisted of a solidified 1 % agar gel with an initial concentration of 0.5 mmol/L contrast solution layered on top of the gel. The diffusion process was monitored at pre-determined time intervals of immediately, 1, 6, 9, 23, and 48 h after introduction of the contrast agents onto the agar gel with a T1-weighted spin-echo (SE) pulse sequence. Three types of paramagnetic contrast agents, Gd-DTPA with a MW of 547.57 g/mol, Prohance with a MW of 558.69 g/mol and MnCl 2 with a MW of 125.84 g/mol, resulted in an approximate average diffusional displacement ratio of 1:1:2 per hour, respectively, within 48 h of the experiment. Therefore, the results of this study supported the hypothesis that the rate of the diffusion process of MRI contrast agents in the agar hydrogel medium is inversely related to their MWs. However, more repetitions are necessary under various types of experimental conditions and also with various types of contrast media of different MWs for further confirmation and validation of these results.

A systematic study of 25Mg NMR in paramagnetic transition metal oxides: applications to Mg-ion battery materials.

PubMed

Lee, Jeongjae; Seymour, Ieuan D; Pell, Andrew J; Dutton, Siân E; Grey, Clare P

2016-12-21

Rechargeable battery systems based on Mg-ion chemistries are generating significant interest as potential alternatives to Li-ion batteries. Despite the wealth of local structural information that could potentially be gained from Nuclear Magnetic Resonance (NMR) experiments of Mg-ion battery materials, systematic 25 Mg solid-state NMR studies have been scarce due to the low natural abundance, low gyromagnetic ratio, and significant quadrupole moment of 25 Mg (I = 5/2). This work reports a combined experimental 25 Mg NMR and first principles density functional theory (DFT) study of paramagnetic Mg transition metal oxide systems Mg 6 MnO 8 and MgCr 2 O 4 that serve as model systems for Mg-ion battery cathode materials. Magnetic parameters, hyperfine shifts and quadrupolar parameters were calculated ab initio using hybrid DFT and compared to the experimental values obtained from NMR and magnetic measurements. We show that the rotor assisted population transfer (RAPT) pulse sequence can be used to enhance the signal-to-noise ratio in paramagnetic 25 Mg spectra without distortions in the spinning sideband manifold. In addition, the value of the predicted quadrupolar coupling constant of Mg 6 MnO 8 was confirmed using the RAPT pulse sequence. We further apply the same methodology to study the NMR spectra of spinel compounds MgV 2 O 4 and MgMn 2 O 4 , candidate cathode materials for Mg-ion batteries.

Chiral liquid phase of simple quantum magnets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Zhentao; Feiguin, Adrian E.; Zhu, Wei

2017-11-07

We study a T=0 quantum phase transition between a quantum paramagnetic state and a magnetically ordered state for a spin S=1 XXZ Heisenberg antiferromagnet on a two-dimensional triangular lattice. The transition is induced by an easy-plane single-ion anisotropy D. At the mean-field level, the system undergoes a direct transition at a critical D=D c between a paramagnetic state at D>D c and an ordered state with broken U(1) symmetry at Dc. We show that beyond mean field the phase diagram is very different and includes an intermediate, partially ordered chiral liquid phase. Specifically, we find that inside the paramagnetic phasemore » the Ising (J z) component of the Heisenberg exchange binds magnons into a two-particle bound state with zero total momentum and spin. This bound state condenses at D>D c, before single-particle excitations become unstable, and gives rise to a chiral liquid phase, which spontaneously breaks spatial inversion symmetry, but leaves the spin-rotational U(1) and time-reversal symmetries intact. This chiral liquid phase is characterized by a finite vector chirality without long-range dipolar magnetic order. In our analytical treatment, the chiral phase appears for arbitrarily small J z because the magnon-magnon attraction becomes singular near the single-magnon condensation transition. This phase exists in a finite range of D and transforms into the magnetically ordered state at some Dc. In conclusion, we corroborate our analytic treatment with numerical density matrix renormalization group calculations.« less

Chemical disorder influence on magnetic state of optimally-doped La0.7Ca0.3MnO3

NASA Astrophysics Data System (ADS)

Rozenberg, E.; Auslender, M.; Shames, A. I.; Jung, G.; Felner, I.; Tsindlekht, M. I.; Mogilyansky, D.; Sominski, E.; Gedanken, A.; Mukovskii, Ya. M.; Gorodetsky, G.

2011-10-01

X-band electron magnetic resonance and dc/ac magnetic measurements have been employed to study the effects of chemical disorder on magnetic ordering in bulk and nanometer-sized single crystals and bulk ceramics of optimally-doped La0.7Ca0.3MnO3 manganite. The magnetic ground state of bulk samples appeared to be ferromagnetic with the lower Curie temperature and higher magnetic homogeneity in the vicinity of the ferromagnetic-paramagnetic phase transition in the crystal, as compared with those characteristics in the ceramics. The influence of technological driven "macroscopic" fluctuations of Ca-dopant level in crystal and "mesoscopic" disorder within grain boundary regions in ceramics was proposed to be responsible for these effects. Surface spin disorder together with pronounced inter-particle interactions within agglomerated nano-sample results in well defined core/shell spin configuration in La0.7Ca0.3MnO3 nano-crystals. The analysis of the electron paramagnetic resonance data enlightened the reasons for the observed difference in the magnetic order. Lattice effects dominate the first-order nature of magnetic phase transition in bulk samples. However, mesoscale chemical disorder seems to be responsible for the appearance of small ferromagnetic polarons in the paramagnetic state of bulk ceramics. The experimental results and their analysis indicate that a chemical/magnetic disorder has a strong impact on the magnetic state even in the case of mostly stable optimally hole-doped manganites.

Lewis acid properties of alumina based catalysts: study by paramagnetic complexes of probe molecules

NASA Astrophysics Data System (ADS)

Fionov, Alexander V.

2002-06-01

Lewis acid properties of LiAl 5O 8/Al 2O 3 (2 wt.% Li) and MgAl 2O 4/Al 2O 3 (3 wt.% Mg) catalysts were studied by EPR of adsorbed probe molecules--anthraquinone and 2,2,6,6-tetramethylpiperidine- N-oxyl (TEMPO). The lesser (in comparison with γ-Al 2O 3) concentration and the strength of Lewis acid sites (LAS) formed on the surface of aluminate layer has been shown. The stability of this layer plays important role in the change of Lewis acid properties during the calcination of modified alumina. The lithium aluminate layer was stable at used calcination temperature, 773 K, meanwhile magnesium aluminate layer observed only at calcination temperature below 723 K. The increase of the calcination temperature to 773 K caused the segregation of MgAl 2O 4 on the surface resulted in the release of alumina surface and recovery of the Lewis acid properties. The differences in the LAS manifestations towards TEMPO and anthraquinone was discussed. The mechanism of the formation of anthraquinone paramagnetic complexes with LAS--three-coordinated aluminum ions--was proposed. This mechanism includes the formation of anthrasemiquinone, and then--anthrasemiquinone ion pair or triple ion. Fragments like -O-Al +-O- play the role of cations in these ion pairs and triple ions. Proposed mechanism can also be applied for the consideration of similar anthraquinone paramagnetic complexes on the surface of gallium oxide containing systems.

Superlattice Structures, Electronic Properties, and Spin Dynamics of the Partially Cu-Extracted Phase for the Composite Crystal System CuxV4O11

NASA Astrophysics Data System (ADS)

Onoda, Masashige; Tamura, Asato

2017-02-01

The crystal structures, electronic properties, and spin dynamics of CuxV4O11 with 1.2 ≤ x < 2, classified as the partially Cu-extracted phase for the composite crystal system, are explored through measurements of x-ray four-circle diffraction, electrochemistry, electrical resistivity, thermoelectric power, magnetization, and electron paramagnetic resonance. This system has superlattice structures mainly ascribed to the partial ordering of Cu ions. Cu1.78V4O11 is triclinic with space group Pbar{1} and the double supercell of the V4O11 substructure of the composite crystal. The significantly Cu-extracted crystal Cu1.40V4O11 has a quadruple supercell with space group P1. The electron transport for V ions is nonmetallic owing to the polaronic nature and/or phonon softening and to the random potential of Cu ions. The Curie-Weiss-type paramagnetism basically originates from the Cu2+ chain coordinated octahedrally, and the EPR relaxation at low temperatures is understood through the exchange mechanism for the dipole-dipole and anisotropic exchange interactions. The near absence of paramagnetic behaviors of V4+ ions might be due to the spin-singlet ladder model or alternating-exchange chain model depending on the superlattice structure and valence distribution. The electrochemical performance of Li rechargeable batteries using this superlattice system is about 300 A h kg-1 at voltages above 2 V.

Advantages of paramagnetic CEST complexes having slow-to-intermediate water exchange properties as responsive MRI agents

PubMed Central

Soesbe, Todd C.; Wu, Yunkou; Sherry, A. Dean

2012-01-01

Paramagnetic saturation transfer chemical exchange (PARACEST) complexes are exogenous contrast agents that have great potential to further extend the functional and molecular imaging capabilities of magnetic resonance. Due to the presence of a central paramagnetic lanthanide ion (Ln3+ ≠ La3+, Gd3+, Lu3+) within the chelate, the resonance frequencies of protons and water molecules 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 reporting significant biological metrics such as temperature, pH, and the presence of metabolites. Also, the ability to turn PARACEST agents “off” and “on” using a frequency selective saturation pulse gives them a distinct advantage over Gd3+-based contrast agents. A current challenge for PARACEST research is translating 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 magnetic resonance imaging. It then describes some of the recent PARACEST research results. Specifically, pH measurements using water molecule exchange rate modulation, T2-exchange contrast due to water molecule exchange, the use of ultra-short echo times (TE<10 μs) to overcome T2-exchange line-broadening, and the potential application of T2-exchange as a new contrast mechanism for magnetic resonance imaging. PMID:23055299

Investigating the Structure of Paramagnetic Aggregates from Colloidal Emulsions - 2

NASA Technical Reports Server (NTRS)

Furst, Eric M.; Gast, Alice P.

2008-01-01

Particle dynamics of magnetorheological fluids (fluids that change properties in response to magnetic fields) are studied to help understand adaptable new fluids for use in such applications as brake systems and robotics.

Emulsion Polymerization of Butyl Acrylate: Spin Trapping and EPR Study

NASA Technical Reports Server (NTRS)

Kim, S.; Westmoreland, D.

1994-01-01

The propagating radical in the emulsion polymerization reaction of butyl acrylate was detected by Electron Paramagnetic Resonance spectroscopy using two spin trapping agents, 2-methyl-2nitrosopropane and alpha -N-tert-butylnitrone.

Magnetism in Chemistry

ERIC Educational Resources Information Center

Brookes, R. W.; McFadyen, W. D.

1975-01-01

Discusses the technical aspects of paramagnetism and an electrostatic model called Crystal Field Theory (CFT), very often used in the case of transition metal compounds. Suggests that this discussion be included as an option for college chemistry courses. (MLH)

Magnetism in the New GCSE

ERIC Educational Resources Information Center

French, M. M. J.

2016-01-01

The new 9-1 GCSE courses in Physics include reference to both permanent and induced magnets. In this article I briefly examine the origin of ferromagnetism, diamagnetism and paramagnetism and suggest a number of helpful classroom demonstrations.

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

NASA Astrophysics Data System (ADS)

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 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. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr05687b

Tested Demonstrations: Paramagnetism and Color of Liquid Oxygen: A Lecture Demonstration.

ERIC Educational Resources Information Center

Shakhashiri, Bassam Z.; And Others

1980-01-01

Presents materials and procedures for a lecture demonstration in which liquid nitrogen or liquid oxygen is poured between the poles of a powerful magnet. Hazards of these procedures are included in the discussion. (CS)

76 FR 67200 - Prospective Grant of Exclusive License: Electron Paramagnetic Resonance Devices and Systems for...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-31

... that is a unique combination of: (1) multi-gradient Single Point Imaging involving global phase...-encoding gradients. The combination approach of single point imaging with the spin-echo signal detection...

Tested Demonstrations

ERIC Educational Resources Information Center

Gilbert, George L., Ed.

1977-01-01

Three demonstrations are described: paramagnetic properties of Fe(11) and Fe(111), the preparation of polyurethane foam: a lecture demonstration and the electrolysis of water-fuel cell reactions. A small discussion of the concepts demonstrated is included in each demonstration's description. (MR)

Transition from itinerant metamagnetism to ferromagnetism in UCo1-xOsxAl solid solutions

NASA Astrophysics Data System (ADS)

Andreev, A. V.; Šebek, J.; Shirasaki, K.; Daniš, S.; Gorbunov, D. I.; Yamamura, T.; Vejpravová, J.; Havela, L.; de Boer, F. R.

2018-05-01

The influence of substitution of a small amount of Os (<2%) on the Co sublattice on the magnetism of the itinerant metamagnet UCoAl is studied on single-crystalline UCo1-xOsxAl compounds with x = 0.002, 0.005 and 0.01. For x = 0.002, the ground state is still paramagnetic, like in UCoAl. The metamagnetic-transition field is 0.37 T, twice lower than in UCoAl. The compound with x = 0.005 is at the border between the paramagnetic and the ferromagnetic ground state. At T = 2 K, it is ferromagnetic, at elevated temperatures a magnetic field is necessary to maintain the magnetic state. In zero field, the ferromagnetic state vanishes at T = 8 K. The compound with x = 0.01 is a ferromagnet with strong uniaxial magnetic anisotropy similar to the previously studied compounds with x = 0.02-0.20.

High-Yield Spin Labeling of Long RNAs for Electron Paramagnetic Resonance Spectroscopy.

PubMed

Kerzhner, Mark; Matsuoka, Hideto; Wuebben, Christine; Famulok, Michael; Schiemann, Olav

2018-05-10

Site-directed spin labeling is a powerful tool for investigating the conformation and dynamics of biomacromolecules such as RNA. Here we introduce a spin labeling strategy based on click chemistry in solution that, in combination with enzymatic ligation, allows highly efficient labeling of complex and long RNAs with short reaction times and suppressed RNA degradation. With this approach, a 34-nucleotide aptamer domain of the preQ1 riboswitch and an 81-nucleotide TPP riboswitch aptamer could be labeled with two labels in several positions. We then show that conformations of the preQ1 aptamer and its dynamics can be monitored in the absence and presence of Mg 2+ and a preQ1 ligand by continuous wave electron paramagnetic resonance spectroscopy at room temperature and pulsed electron-electron double resonance spectroscopy (PELDOR or DEER) in the frozen state.

Giant Paramagnetism of Copper Nanoparticles in Nanocomposites Cu@C

NASA Astrophysics Data System (ADS)

Sharoyan, Eduard; Mirzakhanyan, Armen; Gyulasaryan, Harutyun; Manukyan, Aram; Estiphanos, Medhanie; Goff, Michael; Bernal, Oscar; Kocharian, Armen

The copper nanoparticles in nanocomposites Cu@C, encapsulated in graphitized carbon shell was obtained by the solid-phase pyrolysis method of polycrystalline phthalocyanine (CuPc, Pc =C32N8H16) . The average sizes of the nanoparticles are in the range of 2-6 nm. Magnetic measurements were carried out by vibrational magnetometer in the temperature range 10-300 K. At low temperatures (<70K) we observed a giant paramagnetism, apparently due to the (ballistic) conduction electron (large orbital magnetism). The values of the specific susceptibility at T = 10K with magnetic specific susceptibility of 510-5 emu/gOe order. This work was supported by the RA MES State Committee of Science, in the frames of the research project SCS-13-1C090. The work at California State University was supported by the National Science Foundation-Partnerships for Research and Education in Materials under Grant DMR-1523588.

Fundamentals of thinking, patterns

NASA Astrophysics Data System (ADS)

Gafurov, O. M.; Gafurov, D. O.; Syryamkin, V. I.

2018-05-01

The authors analyze the fundamentals of thinking and propose to consider a model of the brain based on the presence of magnetic properties of gliacytes (Schwann cells) because of their oxygen saturation (oxygen has paramagnetic properties). The authors also propose to take into account the motion of electrical discharges through synapses causing electric and magnetic fields as well as additional effects such as paramagnetic resonance, which allows combining multisensory object-related information located in different parts of the brain. Therefore, the events of the surrounding world are reflected and remembered in the cortex columns, thus, creating isolated subnets with altered magnetic properties (patterns) and subsequently participate in recognition of objects, form a memory, and so on. The possibilities for the pattern-based thinking are based on the practical experience of applying methods and technologies of artificial neural networks in the form of a neuroemulator and neuromorphic computing devices.

Quantum phases in circuit QED with a superconducting qubit array

PubMed Central

Zhang, Yuanwei; Yu, Lixian; Liang, J. -Q; Chen, Gang; Jia, Suotang; Nori, Franco

2014-01-01

Circuit QED on a chip has become a powerful platform for simulating complex many-body physics. In this report, we realize a Dicke-Ising model with an antiferromagnetic nearest-neighbor spin-spin interaction in circuit QED with a superconducting qubit array. We show that this system exhibits a competition between the collective spin-photon interaction and the antiferromagnetic nearest-neighbor spin-spin interaction, and then predict four quantum phases, including: a paramagnetic normal phase, an antiferromagnetic normal phase, a paramagnetic superradiant phase, and an antiferromagnetic superradiant phase. The antiferromagnetic normal phase and the antiferromagnetic superradiant phase are new phases in many-body quantum optics. In the antiferromagnetic superradiant phase, both the antiferromagnetic and superradiant orders can coexist, and thus the system possesses symmetry. Moreover, we find an unconventional photon signature in this phase. In future experiments, these predicted quantum phases could be distinguished by detecting both the mean-photon number and the magnetization. PMID:24522250

An electron paramagnetic resonance study on irradiated triphenylphosphinselenid single crystal

NASA Astrophysics Data System (ADS)

Aras, Erdal; Karatas, Ozgul; Meric, Yasemin; Abbass, Hind Kh; Birey, Mehmet; Kilic, Ahmet

2014-09-01

The single crystals of triphenylphosphinselenid [C18H15PSe] were produced by slow evaporation of concentrated ethyl acetate solutions. These single crystals were exposed to 60Co gamma (γ) rays with a dose speed of 0.980 kGy/h at the room temperature for 72 h. The free radical over the sample was observed using electron paramagnetic resonance (EPR)-X band spectrometer. The EPR spectra were recorded between 120 and 400 K. Furthermore, the sample irradiated was rotated in steps of 10° and analyzed for different orientations of the crystal in the magnetic field. Only one radical structure was determined on the molecule. The hyperfine constants of the sample were found to be anisotropic. The average values of these constants and value of g were calculated as following: g=2.007656, aSe=37.47 G, aP=27.44 G, aHa=17.28 G, and aHb=18.16 G.

Criticality of the low-frequency conductivity for the bilayer quantum Heisenberg model

NASA Astrophysics Data System (ADS)

Nishiyama, Yoshihiro

2018-04-01

The criticality of the low-frequency conductivity for the bilayer quantum Heisenberg model was investigated numerically. The dynamical conductivity (associated with the O(3) symmetry) displays the inductor σ( ω) = ( iωL)-1 and capacitor iωC behaviors for the ordered and disordered phases, respectively. Both constants, C and L, have the same scaling dimension as that of the reciprocal paramagnetic gap Δ -1. Then, there arose a question to fix the set of critical amplitude ratios among them. So far, the O(2) case has been investigated in the context of the boson-vortex duality. In this paper, we employ the exact diagonalization method, which enables us to calculate the paramagnetic gap Δ directly. Thereby, the set of critical amplitude ratios as to C, L and Δ are estimated with the finite-size-scaling analysis for the cluster with N ≤ 34 spins.

Search for exotic short-range interactions using paramagnetic insulators

DOE PAGES

Chu, Pinghan; Weisman, E.; Liu, C. -Y.; ...

2015-05-26

We describe a proposed experimental search for exotic spin-coupled interactions using a solid-state paramagnetic insulator. The experiment is sensitive to the net magnetization induced by the exotic interaction between the unpaired insulator electrons with a dense, nonmagnetic mass in close proximity. An existing experiment has been used to set limits on the electric dipole moment of the electron by probing the magnetization induced in a cryogenic gadolinium gallium garnet sample on application of a strong electric field. With suitable additions, including a movable source mass, this experiment can be used to explore “monopole-dipole” forces on polarized electrons with unique ormore » unprecedented sensitivity. As a result, the solid-state, nonmagnetic construction, combined with the low-noise conditions and extremely sensitive magnetometry available at cryogenic temperatures could lead to a sensitivity over 10 orders of magnitude greater than exiting limits in the range below 1 mm.« less

Fast Gated EPR Imaging of the Beating Heart: Spatiotemporally-Resolved 3D Imaging of Free Radical Distribution during the Cardiac Cycle

PubMed Central

Chen, Zhiyu; Reyes, Levy A.; Johnson, David H.; Velayutham, Murugesan; Yang, Changjun; Samouilov, Alexandre; Zweier, Jay L.

2012-01-01

In vivo or ex vivo electron paramagnetic resonance imaging (EPRI) is a powerful technique for determining the spatial distribution of free radicals and other paramagnetic species in living organs and tissues. However, applications of EPRI have been limited by long projection acquisition times and the consequent fact that rapid gated EPRI was not possible. Hence in vivo EPRI typically provided only time-averaged information. In order to achieve direct gated EPRI, a fast EPR acquisition scheme was developed to decrease EPR projection acquisition time down to 10 – 20 ms, along with corresponding software and instrumentation to achieve fast gated EPRI of the isolated beating heart with submillimeter spatial resolution in as little as 2 to 3 minutes. Reconstructed images display temporal and spatial variations of the free radical distribution, anatomical structure, and contractile function within the rat heart during the cardiac cycle. PMID:22473660

Caractérisation par résonance paramagnétique électronique (RPE) de quartz naturels issus de différentes sources

NASA Astrophysics Data System (ADS)

Duttine, Mathieu; Villeneuve, Gérard; Bechtel, Françoise; Demazeau, Gérard

2002-10-01

Natural quartz crystals coming from Madagascar, Angola, Brazil, and Spain were studied by EPR after β irradiation in order to characterise the paramagnetic centres due to impurities, and examine in which way their relative proportion could constitute a useful criterion for origin researches. In all our samples, EPR experiments revealed germanium centres [GeO 4/M +]° with M = Li or Na, aluminium ones [AlO 4/h]° and two titanium centres ([TiO 4/H +]° and [TiO 4/M +]°) also appeared, except for samples coming from Spain. The comparison of the relative concentrations of paramagnetic species led us on to draw diagrams that allowed distinguishing the origins of the studied samples using only EPR spectra. To cite this article: M. Duttine et al., C. R. Geoscience 334 (2002) 949-955.

Systematic approach to cutoff frequency selection in continuous-wave electron paramagnetic resonance imaging

NASA Astrophysics Data System (ADS)

Hirata, Hiroshi; Itoh, Toshiharu; Hosokawa, Kouichi; Deng, Yuanmu; Susaki, Hitoshi

2005-08-01

This article describes a systematic method for determining the cutoff frequency of the low-pass window function that is used for deconvolution in two-dimensional continuous-wave electron paramagnetic resonance (EPR) imaging. An evaluation function for the criterion used to select the cutoff frequency is proposed, and is the product of the effective width of the point spread function for a localized point signal and the noise amplitude of a resultant EPR image. The present method was applied to EPR imaging for a phantom, and the result of cutoff frequency selection was compared with that based on a previously reported method for the same projection data set. The evaluation function has a global minimum point that gives the appropriate cutoff frequency. Images with reasonably good resolution and noise suppression can be obtained from projections with an automatically selected cutoff frequency based on the present method.

Physical and Instrumental Considerations in the Use of Lithium Phthalocyanine for Measurements of the Concentration of the Oxygen

NASA Astrophysics Data System (ADS)

Smirnov, A. I.; Norby, S. W.; Walczak, T.; Liu, K. J.; Swartz, H. M.

The use of crystals of lithium phthalocyanine (LiPc) to measure the concentration of oxygen in vivo and in vitro by electron paramagnetic resonance leads to experimental constraints due to the very narrow EPR lines that may occur (as narrow as 11-13 mG in the absence of O 2), distortions induced by the automatic frequency control system, anisotropy in the spectra (orientation-dependent linewidth is 11-17 mG in the absence of O 2), microwave power saturation, and the effect of physiological motion. These constraints can be overcome if recognized. This article highlights the experimental and theoretical basis of these properties of the EPR signal of LiPc and suggests some technical solutions. It is most important to recognize that paramagnetic species such as LiPc present problems that are not commonly encountered in EPR spectroscopy.

Carbon-related platinum defects in silicon: An electron paramagnetic resonance study of high spin states

NASA Astrophysics Data System (ADS)

Scheerer, O.; Höhne, M.; Juda, U.; Riemann, H.

1997-10-01

In this article, we report about complexes in silicon investigated by electron paramagnetic resonance (EPR). In silicon doped with C and Pt we detected two different complexes: cr-1Pt (cr: carbon-related, 1Pt: one Pt atom) and cr-3Pt. The complexes have similar EPR properties. They show a trigonal symmetry with effective g-values geff,⊥=2g⊥≈4 and geff,‖=g‖≈2 (g⊥, g‖ true g-values). The g-values can be explained by a spin Hamiltonian with large fine-structure energy (electron spin S=3/2) and smaller Zeeman interaction. The participation of platinum in the complexes is proved by the hyperfine interaction. From experiments with varying carbon concentration we conclude that the complexes contain carbon. Atomistic models based on the Watkins vacancy-model for substitutional Pt were developed.

Correlated states in β-Li 2IrO 3 driven by applied magnetic fields

DOE PAGES

Ruiz, Alejandro; Frano, Alex; Breznay, Nicholas P.; ...

2017-10-16

Magnetic honeycomb iridates are thought to show strongly spin-anisotropic exchange interactions which, when highly frustrated, lead to an exotic state of matter known as the Kitaev quantum spin liquid. However, in all known examples these materials magnetically order at finite temperatures, the scale of which may imply weak frustration. Here we show that the application of a relatively small magnetic field drives the three-dimensional magnet β-Li 2IrO 3 from its incommensurate ground state into a quantum correlated paramagnet. Interestingly, this paramagnetic state admixes a zig-zag spin mode analogous to the zig-zag order seen in other Mott-Kitaev compounds. The rapid onsetmore » of the field-induced correlated state implies the exchange interactions are delicately balanced, leading to strong frustration and a near degeneracy of different ground states.« less

Study of ultrasonic attenuation in f-electron systems in the paramagnetic limit of Coulomb interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shadangi, Asit Ku., E-mail: asitshad@iopb.res.in; Rout, G. C., E-mail: gcr@iopb.res.in

2015-05-15

We report here a microscopic model study of ultrasonic attenuation in f-electron systems based on Periodic Anderson Model in which Coulomb interaction is considered within a mean-field approximation for a weak interaction. The Phonon is coupled to the conduction band and f-electrons. The phonon Green's function is calculated by Zubarev's technique of the Green's function method. The temperature dependent ultrasonic attenuation co-efficient is calculated from the imaginary part of the phonon self-energy in the dynamic and long wave length limit. The f-electron occupation number is calculated self-consistently in paramagnetic limit of Coulomb interaction. The effect of the Coulomb interaction onmore » ultrasonic attenuation is studied by varying the phonon coupling parameters to the conduction and f-electrons, hybridization strength, the position of f-level and the Coulomb interaction Strength. Results are discussed on the basis of experimental results.« less

[The role of oxidative metabolism disturbance in the development of NO-related endothelial dysfunction during chronic hearth failure].

PubMed

Goishvili, N; Kakauridze, N; Sanikidze, T

2005-05-01

The aim of the work was to establish the oxidative metabolism changes and NO data in Chronic Hearth Failure (HF). 52 patients were included in the investigation, among them 37 patients with CHD and chronic HF (II-IV functional class by NIHA) and 17 without it (control group). For revealing of organism redox-status (ceruloplasmine, Fe3+-transfferine, Mn2+, methemoglobine) the blood paramagnetic centers was studied by electron paramagnetic resonance method. For revealing of blood free NO, the diethyldithiocarbamat (SIGMA) was used. In chronic HF the oxidative process intensification and organism compensate reaction reduction with low Fe3+-transferine levels, increased Mn2++, methaemoglobin and inactivation of erythrocytes membranes adrenergic receptors were revealed. In chronic HF the accumulation of reactive oxygen levels provoke NO transformation in peroxynitrote with following decreases of blood free NO and develop the endothelial dysfunction.

Mössbauer analysis of the firing process of the sky-green glaze of the imitative ancient Chinese Ru porcelain

NASA Astrophysics Data System (ADS)

Songhua, Chen; Zhengyao, Gao; Guoju, Hu; Xiande, Chen

1994-12-01

The variation of the Mössbauer parameters of the imitative ancient Ru porcelain skygreen glaze with the firing conditions is studied in detail in the present paper. The Mössbauer spectra show that the sky-green glaze contains three kinds of iron minerals, i.e. the structural iron (Fe2+ and Fe3+); Fe2O3 and Fe3O4. The relative intensity of the paramagnetic peak Fe2+ increases and the magnetic ratio of the magnetic peak decreases with increasing temperature. Based on the variation of the quadrupole splitting ( QS) of the paramagnetic peak Fe2+, the phase transformation characteristics of the sky-green glaze in the firing process is discussed. The coloring mechanism of the sky-green glaze and the variation of its magnetism in the firing process are also investigated in the present paper.

Resonance magnetoplasticity in ultralow magnetic fields

NASA Astrophysics Data System (ADS)

Alshits, V. I.; Darinskaya, E. V.; Koldaeva, M. V.; Petrzhik, E. A.

2016-09-01

Resonance relaxation displacements of dislocations in NaCl crystals placed in crossed static and alternating ultralow magnetic fields in the electron paramagnetic resonance scheme are discussed. The Earth's magnetic field B Earth ≈ 50μT and other fields in the range of 26-261 μT are used as the static field. New strongly anisotropic properties of the effect have been revealed. Frequency spectra including numerous peaks of paths at low pump frequencies beginning with 10 kHz, as well as the quartet of equidistant peaks at high frequencies ( 1.4 MHz at B= B Earth), have been measured. The effect is also observed in the pulsed pump field with a resonance duration of 0.5 μs. Resonance changes have been detected in the microhardness of ZnO, triglycine sulfate, and potassium hydrogen phthalate crystals after their exposure in the Earth's magnetic field in the same electron paramagnetic resonance scheme.

Spectroscopic and photoacoustic characterization of encapsulated iron oxide super-paramagnetic nanoparticles as a new multiplatform contrast agent.

PubMed

Armanetti, Paolo; Flori, Alessandra; Avigo, Cinzia; Conti, Luca; Valtancoli, Barbara; Petroni, Debora; Doumett, Saer; Cappiello, Laura; Ravagli, Costanza; Baldi, Giovanni; Bencini, Andrea; Menichetti, Luca

2018-06-15

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. Copyright © 2018 Elsevier B.V. All rights reserved.

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

PubMed

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.

Quantum tunneling of magnetization and related phenomena in molecular materials.

PubMed

Gatteschi, Dante; Sessoli, Roberta

2003-01-20

Molecules comprising a large number of coupled paramagnetic centers are attracting much interest because they may show properties which are intermediate between those of simple paramagnets and classical bulk magnets and provide unambiguous evidence of quantum size effects in magnets. To date, two cluster families, usually referred to as Mn12 and Fe8, have been used to test theories. However, it is reasonable to predict that other classes of molecules will be discovered which have similar or superior properties. To do this it is necessary that synthetic chemists have a good understanding of the correlation between the structure and properties of the molecules, for this it is necessary that concepts such as quantum tunneling, quantum coherence, quantum oscillations are understood. The goal of this article is to review the fundamental concepts needed to understand quantum size effects in molecular magnets and to critically report what has been done in the field to date.

Electrical detection of electron-spin-echo envelope modulations in thin-film silicon solar cells

NASA Astrophysics Data System (ADS)

Fehr, M.; Behrends, J.; Haas, S.; Rech, B.; Lips, K.; Schnegg, A.

2011-11-01

Electrically detected electron-spin-echo envelope modulations (ED-ESEEM) were employed to detect hyperfine interactions between nuclear spins and paramagnetic sites, determining spin-dependent transport processes in multilayer thin-film microcrystalline silicon solar cells. Electrical detection in combination with a modified Hahn-echo sequence was used to measure echo modulations induced by 29Si, 31P, and 1H nuclei weakly coupled to electron spins of paramagnetic sites in the amorphous and microcrystalline solar cell layers. In the case of CE centers in the μc-Si:H i-layer, the absence of 1H ESEEM modulations indicates that the adjacencies of CE centers are depleted from hydrogen atoms. On the basis of this result, we discuss several models for the microscopic origin of the CE center and conclusively assign those centers to coherent twin boundaries inside of crystalline grains in μc-Si:H.

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

PubMed

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.

MRI-guided targeting delivery of doxorubicin with reduction-responsive lipid-polymer hybrid nanoparticles.

PubMed

Wu, Bo; Lu, Shu-Ting; Deng, Kai; Yu, Hui; Cui, Can; Zhang, Yang; Wu, Ming; Zhuo, Ren-Xi; Xu, Hai-Bo; Huang, Shi-Wen

2017-01-01

In recent years, there has been increasing interest in developing a multifunctional nanoscale platform for cancer monitoring and chemotherapy. However, there is still a big challenge for current clinic contrast agents to improve their poor tumor selectivity and response. Herein, we report a new kind of Gd complex and folate-coated redox-sensitive lipid-polymer hybrid nanoparticle (Gd-FLPNP) for tumor-targeted magnetic resonance imaging and therapy. Gd-FLPNPs can simultaneously accomplish diagnostic imaging, and specific targeting and controlled release of doxorubicin (DOX). They exhibit good monodispersity, excellent size stability, and a well-defined core-shell structure. Paramagnetic nanoparticles based on gadolinium-diethylenetriaminepentaacetic acid-bis-cetylamine have paramagnetic properties with an approximately two-fold enhancement in the longitudinal relaxivity compared to clinical used Magnevist. For targeted and reduction-sensitive drug delivery, Gd-FLPNPs released DOX faster and enhanced cell uptake in vitro, and exhibited better antitumor effect both in vitro and in vivo.

Large dielectric permittivity and possible correlation between magnetic and dielectric properties in bulk BaFeO{sub 3−δ}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sagdeo, Archna; Gautam, Kamini; Singh, M. N.

2014-07-28

We report structural, magnetic, and dielectric properties of oxygen deficient hexagonal BaFeO{sub 3−δ}. A large dielectric permittivity comparable to that of other semiconducting oxides is observed in BaFeO{sub 3−δ}. Magnetization measurements indicate magnetic inhomogeneity and the system shows a paramagnetic to antiferromagnetic transition at ∼160 K. Remarkably, the temperature, at which paramagnetic to antiferromagnetic transition occurs, around this temperature, a huge drop in the dissipation factor takes place and resistivity shoots up; this indicates the possible correlation among magnetic and dielectric properties. First principle simulations reveal that some of these behaviors may be explained in terms of many body electron correlationmore » effect in the presence of oxygen vacancy present in BaFeO{sub 3−δ} indicating its importance in both fundamental science as well as in applications.« less

Magnetic phase composition of strontium titanate implanted with iron ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dulov, E.N., E-mail: evgeny.dulov@ksu.ru; Ivoilov, N.G.; Strebkov, O.A.

2011-12-15

Highlights: Black-Right-Pointing-Pointer The origin of RT-ferromagnetism in iron implanted strontium titanate. Black-Right-Pointing-Pointer Metallic iron nanoclusters form during implantation and define magnetic behaviour. Black-Right-Pointing-Pointer Paramagnetic at room temperature iron-substituted strontium titanate identified. -- Abstract: Thin magnetic films were synthesized by means of implantation of iron ions into single-crystalline (1 0 0) substrates of strontium titanate. Depth-selective conversion electron Moessbauer spectroscopy (DCEMS) indicates that origin of the samples magnetism is {alpha}-Fe nanoparticles. Iron-substituted strontium titanate was also identified but with paramagnetic behaviour at room temperature. Surface magneto-optical Kerr effect (SMOKE) confirms that the films reveal superparamagnetism (the low-fluence sample) or ferromagnetism (themore » high-fluence sample), and demonstrate absence of magnetic in-plane anisotropy. These findings highlight iron implanted strontium titanate as a promising candidate for composite multiferroic material and also for gas sensing applications.« less

Preparation, characterization and magnetic behavior of a spin-labelled physical hydrogel containing a chiral cyclic nitroxide radical unit fixed inside the gelator molecule.

PubMed

Takemoto, Yusa; Yamamoto, Takayuki; Ikuma, Naohiko; Uchida, Yoshiaki; Suzuki, Katsuaki; Shimono, Satoshi; Takahashi, Hiroki; Sato, Nobuhiro; Oba, Yojiro; Inoue, Rintaro; Sugiyama, Masaaki; Tsue, Hirohito; Kato, Tatsuhisa; Yamauchi, Jun; Tamura, Rui

2015-07-21

An optically active amphiphilic nitroxide radical compound [(S,S,R)-], which contains a paramagnetic (2S,5S)-2,5-dimethyl-2,5-diphenylpyrrolidine-N-oxyl radical group fixed in the inner position together with a hydrophobic long alkyl chain and a hydrophilic (R)-alanine residue in the opposite terminal positions, was found to serve as a low-molecular-weight gelator in H2O to give rise to a spin-labelled physical hydrogel. Characterization of the hydrogel was performed by microscopic (SEM, TEM and AFM) techniques, XRD and SAXS measurements, and IR, UV and CD spectroscopies. The gel-sol transition temperature was determined by EPR spectral line-width (ΔHpp) analysis. Measurement of the temperature dependence of relative paramagnetic susceptibility (χrel) for the hydrogel and sol phases was achieved by means of the double-integration of VT-EPR spectra.

Enhanced Wireless Power Transmission Using Strong Paramagnetic Response.

PubMed

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.

EPR investigations of silicon carbide nanoparticles functionalized by acid doped polyaniline

NASA Astrophysics Data System (ADS)

Karray, Fekri; Kassiba, Abdelhadi

2012-06-01

Nanocomposites (SiC-PANI) based on silicon carbide nanoparticles (SiC) encapsulated in conducting polyaniline (PANI) are synthesized by direct polymerization of PANI on the nanoparticle surfaces. The conductivity of PANI and the nanocomposites was modulated by several doping levels of camphor sulfonic acid (CSA). Electron paramagnetic resonance (EPR) investigations were carried out on representative SiC-PANI samples over the temperature range [100-300 K]. The features of the EPR spectra were analyzed taking into account the paramagnetic species such as polarons with spin S=1/2 involved in two main environments realized in the composites as well as their thermal activation. A critical temperature range 200-225 K was revealed through crossover changes in the thermal behavior of the EPR spectral parameters. Insights on the electronic transport properties and their thermal evolutions were inferred from polarons species probed by EPR and the electrical conductivity in doped nanocomposites.

Phase diagram and re-entrant fermionic entanglement in a hybrid Ising-Hubbard ladder

NASA Astrophysics Data System (ADS)

Sousa, H. S.; Pereira, M. S. S.; de Oliveira, I. N.; Strečka, J.; Lyra, M. L.

2018-05-01

The degree of fermionic entanglement is examined in an exactly solvable Ising-Hubbard ladder, which involves interacting electrons on the ladder's rungs described by Hubbard dimers at half-filling on each rung, accounting for intrarung hopping and Coulomb terms. The coupling between neighboring Hubbard dimers is assumed to have an Ising-like nature. The ground-state phase diagram consists of four distinct regions corresponding to the saturated paramagnetic, the classical antiferromagnetic, the quantum antiferromagnetic, and the mixed classical-quantum phase. We have exactly computed the fermionic concurrence, which measures the degree of quantum entanglement between the pair of electrons on the ladder rungs. The effects of the hopping amplitude, the Coulomb term, temperature, and magnetic fields on the fermionic entanglement are explored in detail. It is shown that the fermionic concurrence displays a re-entrant behavior when quantum entanglement is being generated at moderate temperatures above the classical saturated paramagnetic ground state.

^17O NMR Study of Sr_2CuO_2Cl_2, a Single-Layer Parent Compound of a High Tc Superconductor

NASA Astrophysics Data System (ADS)

Thurber, Kent; Hunt, Allen; Imai, Takashi; Chou, Fang-Cheng; Lee, Young

1997-03-01

We report NMR measurements of the ^17O nuclear spin-lattice relaxation rate 1/T_1, and the ^17O Knight shift of Sr_2CuO_2Cl2 (TN = 257 K) in the paramagnetic state from the Néel temperature up to 700 K. This establishes, for the first time, the temperature and frequency dependence of ^17O NMR in the paramagnetic state of a clean, single-layer, undoped parent compound of a high Tc superconductor. The ^17O NMR results test the nature of elementary spin excitations around q = 0 and give insight into the spin wave damping, Γ. The observation, ^17 1/T1 ~ a T^3 [ 1 + O(T/J) ], agrees semi-quantitatively with theoretical predictions based on spin waves in the spin S=1/2 2D Heisenberg model. electronically.

Elemental, morphological, structural, optical, and magnetic properties of erbium doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Poornaprakash, B.; Chalapathi, U.; Purusottam Reddy, B.; Prabhakar Vattikuti, S. V.; Siva Pratap Reddy, M.; Park, Si-Hyun

2018-03-01

The sensible tuning of the structural, optical, and magnetic properties of ZnO nanoparticles (NPs) with suitable doping can enhance their applicability in diverse fields. In this study, we synthesized ZnO NPs with Er (0-4 at%) doping and their elemental, structural, optical, and magnetic properties were studied. Both field emission scanning electron microscopy (FESEM) and high resolution transmission electron microscopy (HRTEM) studies of the suspensions consist of hexagonal shaped NPs. All the prepared NPs exhibited hexagonal phase as demonstrated by powder x-ray diffraction studies. A blue shift was observed in the Er doped ZnO NPs compared to pure ZnO, indicating the increased optical bandgap. Vibrating sample magnetometer studies exhibited the pure ZnO NPs was typical diamagnetic feature whereas all the Er doped ZnO NPs were paramagnetic feature at 300 K. This is the first paramagnetic report on Er doped ZnO NPs.

W-band EPR of vanadyl complexes aggregates on the surface of Al2O3

NASA Astrophysics Data System (ADS)

Mamin, G.; Gafurov, M.; Galukhin, A.; Gracheva, I.; Murzakhanov, F.; Rodionov, A.; Orlinskii, S.

2018-05-01

Structural characterization of metalloporphyrins, asphaltenes and their aggregates in complex systems such as native hydrocarbons is in the focus of scientific and industrial interests since many years. We present W-band (95 GHz) electron paramagnetic resonance (EPR) study in the magnetic field of about 3.4 T and temperature of 100 K for Karmalinskoe oil, asphaltens and asphaltenes deposited on the surface of Al2O3. Features of the obtained spectra are described. Shift to the higher frequencies allows to separate spectrally the contributions from paramagnetic complexes of different origin and define the EPR parameters more accurately comparing to the conventional X-band (9 GHz). Changes of the EPR parameters are tracked. We suggest that the proposed approach can be used for the investigation of structure of vanadyl complexes aggregates in crude oil and their fractions.

Frustrated Magnetism of Dipolar Molecules on a Square Optical Lattice: Prediction of a Quantum Paramagnetic Ground State

NASA Astrophysics Data System (ADS)

Zou, Haiyuan; Zhao, Erhai; Liu, W. Vincent

2017-08-01

Motivated by the experimental realization of quantum spin models of polar molecule KRb in optical lattices, we analyze the spin 1 /2 dipolar Heisenberg model with competing anisotropic, long-range exchange interactions. We show that, by tilting the orientation of dipoles using an external electric field, the dipolar spin system on square lattice comes close to a maximally frustrated region similar, but not identical, to that of the J1-J2 model. This provides a simple yet powerful route to potentially realize a quantum spin liquid without the need for a triangular or kagome lattice. The ground state phase diagrams obtained from Schwinger-boson and spin-wave theories consistently show a spin disordered region between the Néel, stripe, and spiral phase. The existence of a finite quantum paramagnetic region is further confirmed by an unbiased variational ansatz based on tensor network states and a tensor renormalization group.

A review on single photon sources in silicon carbide.

PubMed

Lohrmann, A; Johnson, B C; McCallum, J C; Castelletto, S

2017-03-01

This paper summarizes key findings in single-photon generation from deep level defects in silicon carbide (SiC) and highlights the significance of these individually addressable centers for emerging quantum applications. Single photon emission from various defect centers in both bulk and nanostructured SiC are discussed as well as their formation and possible integration into optical and electrical devices. The related measurement protocols, the building blocks of quantum communication and computation network architectures in solid state systems, are also summarized. This includes experimental methodologies developed for spin control of different paramagnetic defects, including the measurement of spin coherence times. Well established doping, and micro- and nanofabrication procedures for SiC may allow the quantum properties of paramagnetic defects to be electrically and mechanically controlled efficiently. The integration of single defects into SiC devices is crucial for applications in quantum technologies and we will review progress in this direction.

The exchange interactions and the state of manganese atoms in the solid solutions in Bi{sub 3}NbO{sub 7} of cubic and tetragonal modifications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chezhina, N.V., E-mail: chezhina@nc2490.spb.edu; Zhuk, N.A.; Korolev, D.A.

2016-01-15

The comparative analysis of magnetic behavior of manganese-containing solid solutions Bi{sub 3}Nb{sub 1−x}Mn{sub x}O{sub 7−δ} (x=0.01−0.10) of cubic and tetragonal modifications was performed. Based on the results of magnetic susceptibility studies paramagnetic manganese atoms in solid solutions of cubic and tetragonal modifications were found to be in the form of Mn(III), Mn(IV) monomers and exchange-coupled dimers of Mn(III)–O–Mn(III), Mn(IV)–O–Mn(IV), Mn(III)–O–Mn(IV). The exchange parameters and the distribution of monomers and dimers in solid solutions as a function of the content of paramagnetic atoms were calculated. - Graphical abstract: Structural transition of cubic to tetragonal Bi{sub 3}NbO{sub 7−δ}.

Electron paramagnetic resonance of globin proteins - a successful match between spectroscopic development and protein research

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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.

Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low-Spin Fe(III) Complex.

PubMed

Ridier, Karl; Mondal, Abhishake; Boilleau, Corentin; Cador, Olivier; Gillon, Béatrice; Chaboussant, Grégory; Le Guennic, Boris; Costuas, Karine; Lescouëzec, Rodrigue

2016-03-14

We have determined by polarized neutron diffraction (PND) the low-temperature molecular magnetic susceptibility tensor of the anisotropic low-spin complex PPh4 [Fe(III) (Tp)(CN)3]⋅H2O. We found the existence of a pronounced molecular easy magnetization axis, almost parallel to the C3 pseudo-axis of the molecule, which also corresponds to a trigonal elongation direction of the octahedral coordination sphere of the Fe(III) ion. The PND results are coherent with electron paramagnetic resonance (EPR) spectroscopy, magnetometry, and ab initio investigations. Through this particular example, we demonstrate the capabilities of PND to provide a unique, direct, and straightforward picture of the magnetic anisotropy and susceptibility tensors, offering a clear-cut way to establish magneto-structural correlations in paramagnetic molecular complexes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electron paramagnetic resonance spectral study of [Mn(acs){sub 2}(2–pic){sub 2}(H{sub 2}O){sub 2}] single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kocakoç, Mehpeyker, E-mail: mkocakoc@cu.edu.tr; Tapramaz, Recep, E-mail: recept@omu.edu.tr

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 themore » complex was highly symmetric. Variable temperature studies showed no detectable chance in spectra.« less

Strength and scales of itinerant spin fluctuations in 3 d paramagnetic metals

DOE PAGES

Wysocki, Aleksander L.; Kutepov, Andrey; Antropov, Vladimir P.

2016-10-10

The full spin density fluctuations (SDF) spectra in 3d paramagnetic metals are analyzed from first principles using the linear response technique. Using the calculated complete wave vector and energy dependence of the dynamic spin susceptibility, we obtain the most important, but elusive, characteristic of SDF in solids: on-site spin correlator (SC). We demonstrate that the SDF have a mixed character consisting of interacting collective and single-particle excitations of similar strength spreading continuously over the entire Brillouin zone and a wide energy range up to femtosecond time scales. These excitations cannot be adiabatically separated and their intrinsically multiscale nature should alwaysmore » be taken into account for a proper description of metallic systems. Altogether, in all studied systems, despite the lack of local moment, we found a very large SC resulting in an effective fluctuating moment of the order of several Bohr magnetons.« less

Strength and scales of itinerant spin fluctuations in 3 d paramagnetic metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wysocki, Aleksander L.; Kutepov, Andrey; Antropov, Vladimir P.

The full spin density fluctuations (SDF) spectra in 3d paramagnetic metals are analyzed from first principles using the linear response technique. Using the calculated complete wave vector and energy dependence of the dynamic spin susceptibility, we obtain the most important, but elusive, characteristic of SDF in solids: on-site spin correlator (SC). We demonstrate that the SDF have a mixed character consisting of interacting collective and single-particle excitations of similar strength spreading continuously over the entire Brillouin zone and a wide energy range up to femtosecond time scales. These excitations cannot be adiabatically separated and their intrinsically multiscale nature should alwaysmore » be taken into account for a proper description of metallic systems. Altogether, in all studied systems, despite the lack of local moment, we found a very large SC resulting in an effective fluctuating moment of the order of several Bohr magnetons.« less

Kondo destruction in a quantum paramagnet with magnetic frustration

NASA Astrophysics Data System (ADS)

Zhang, Jiahao; Zhao, Hengcan; Lv, Meng; Hu, Sile; Isikawa, Yosikazu; Yang, Yi-feng; Si, Qimiao; Steglich, Frank; Sun, Peijie

2018-06-01

We report results of isothermal magnetotransport and susceptibility measurements at elevated magnetic fields B down to very low temperatures T on single crystals of the frustrated Kondo-lattice system CePdAl. They reveal a B*(T ) line within the paramagnetic part of the phase diagram. This line denotes a thermally broadened "small"-to-"large" Fermi-surface crossover which substantially narrows upon cooling. At B0 *=B*(T =0 ) =(4.6 ±0.1 ) T , this B*(T ) line merges with two other crossover lines, viz. Tp(B ) below and TFL(B ) above B0 *. Tp characterizes a frustration-dominated spin-liquid state, while TFL is the Fermi-liquid temperature associated with the lattice Kondo effect. Non-Fermi-liquid phenomena which are commonly observed near a "Kondo-destruction" quantum-critical point cannot be resolved in CePdAl. Our observations reveal a rare case where Kondo coupling, frustration, and quantum criticality are closely intertwined.

Imaging thiol redox status in murine tumors in vivo with rapid-scan electron paramagnetic resonance

NASA Astrophysics Data System (ADS)

Epel, Boris; Sundramoorthy, Subramanian V.; Krzykawska-Serda, Martyna; Maggio, Matthew C.; Tseytlin, Mark; Eaton, Gareth R.; Eaton, Sandra S.; Rosen, Gerald M.; Kao, Joseph P. Y.; Halpern, Howard J.

2017-03-01

Thiol redox status is an important physiologic parameter that affects the success or failure of cancer treatment. Rapid scan electron paramagnetic resonance (RS EPR) is a novel technique that has shown higher signal-to-noise ratio than conventional continuous-wave EPR in in vitro studies. Here we used RS EPR to acquire rapid three-dimensional images of the thiol redox status of tumors in living mice. This work presents, for the first time, in vivo RS EPR images of the kinetics of the reaction of 2H,15N-substituted disulfide-linked dinitroxide (PxSSPx) spin probe with intracellular glutathione. The cleavage rate is proportional to the intracellular glutathione concentration. Feasibility was demonstrated in a FSa fibrosarcoma tumor model in C3H mice. Similar to other in vivo and cell model studies, decreasing intracellular glutathione concentration by treating mice with L-buthionine sulfoximine (BSO) markedly altered the kinetic images.

Ageing and thermal recovery of paramagnetic centers induced by electron irradiation in yttria-stabilized zirconia

NASA Astrophysics Data System (ADS)

Costantini, J. M.; Beuneu, F.

We have used electron spin resonance spectroscopy to study the defects induced in yttria-stabilized zirconia (YSZ) single crystals by 2.5-MeV electron irradiations. Two paramagnetic centers are produced: the first one with an axial <111> symmetry is similar to the trigonal Zr3+ electron center (T center) found after X-ray irradiation or thermo-chemical reduction, whereas the second one is a new oxygen hole center with an axial <100> symmetry different from the orthorhombic O- center induced by X-ray irradiation. At a fluence around 10(18) e/cm(2) , both centers are bleached out near 600 K, like the corresponding X-ray induced defects. At a fluence around 10(19) e/cm(2) , defects are much more stable, since complete thermal bleaching occurs near 1000 K. Accordingly, ageing of as-irradiated samples shows that high-dose defects at more stable than the low-dose ones.

Advantages of paramagnetic chemical exchange saturation transfer (CEST) complexes having slow to intermediate water exchange properties as responsive MRI agents.

PubMed

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.

CW- and pulsed-EPR of carbonaceous matter in primitive meteorites: solving a lineshape paradox.

PubMed

Delpoux, Olivier; Gourier, Didier; Binet, Laurent; Vezin, Hervé; Derenne, Sylvie; Robert, François

2008-05-01

Insoluble organic matter (IOM) of Orgueil and Tagish Lake meteorites are studied by CW-EPR and pulsed-EPR spectroscopies. The EPR line is due to polycyclic paramagnetic moieties concentrated in defect-rich regions of the IOM, with concentrations of the order of 4x10(19) spin/g. CW-EPR reveals two types of paramagnetic defects: centres with S=1/2, and centres with S=0 ground state and thermally accessible triple state S=1. In spite of the Lorentzian shape of the EPR and its narrowing upon increasing the spin concentration, the EPR line is not in the exchange narrowing regime as previously deduced from multi-frequency CW-EPR [L. Binet, D. Gourier, Appl. Magn. Reson. 30 (2006) 207-231]. It is inhomogeneously broadened as demonstrated by the presence of nuclear modulations in the spin-echo decay. The line narrowing, similar to an exchange narrowing effect, is the result of an increasing contribution of the narrow line of the triplet state centres in addition to the broader line of doublet states. Hyperfine sublevel correlation spectroscopy (HYSCORE) of hydrogen and (13)C nuclei indicates that IOM* centres are small polycyclic moieties that are moderately branched with aliphatic chains, as shown by the presence of aromatic hydrogen atoms. On the contrary the lack of such aromatic hydrogen in triplet states suggests that these radicals are most probably highly branched. Paramagnetic centres are considerably enriched in deuterium, with D/H approximately 1.5+/-0.5x10(-2) of the order of values existing in interstellar medium.

Magnetic characterization of mixed phases in FeVO4sbnd Co3V2O8 system

NASA Astrophysics Data System (ADS)

Guskos, N.; Zolnierkiewicz, G.; Pilarska, M.; Typek, J.; Berczynski, P.; Blonska-Tabero, A.; Aidinis, K.

2018-04-01

Dynamic and static magnetic properties of four nFeVO4/(1-n)Co3V2O8 composites obtained in reactions between nFeVO4 and (1-n)Co3V2O8 (n = 0.82, 0.80, 0.78 and 0.76) have been investigated by dc magnetometry and electron paramagnetic resonance (EPR). All samples were diphase containing both the howardevansite-type and the lyonsite-type phases in different proportions. Dc magnetic susceptibility study showed the Curie-Weiss paramagnetic behavior with strong antiferromagnetic (AFM) interaction in the high-temperature range and the phase transition to the AFM state at low temperatures. The calculated effective magnetic moment could be justified by the presence of high spin Fe3+ and Co2+ ions. The appearance of hysteresis loop in isothermal magnetisation at low temperature indicates the existence of the ferromagnetic component in all four samples, but only 0.5% of all magnetic ions are involved in this phase. EPR spectra recorded in high-temperature range (T > 90 K) consisted of a single broad line centred at ∼3.2 kG. The fitting of observed spectra with two Gaussian lineshape functions allowed to study the temperature dependence of EPR parameters (resonance field, linewidth, integrated intensity). This analysis suggests that EPR signal arises from two spin subsystems: paramagnetic Fe3+ ions subjected to AFM interaction and AFM spin pairs/clusters of iron/cobalt visible only at high temperatures. At low temperatures two transitions to AFM states, due to the mixture of two structural phases, are registered in magnetic susceptibility measurements.

Paramagnetism of cobalt-doped ZnO nanoparticles obtained by microwave solvothermal synthesis.

PubMed

Wojnarowicz, Jacek; Kusnieruk, Sylwia; Chudoba, Tadeusz; Gierlotka, Stanislaw; Lojkowski, Witold; Knoff, Wojciech; Lukasiewicz, Malgorzata I; Witkowski, Bartlomiej S; Wolska, Anna; Klepka, Marcin T; Story, Tomasz; Godlewski, Marek

2015-01-01

Zinc oxide nanopowders doped with 1-15 mol % cobalt were produced by the microwave solvothermal synthesis (MSS) technique. The obtained nanoparticles were annealed at 800 °C in nitrogen (99.999%) and in synthetic air. The material nanostructure was investigated by means of the following techniques: X-ray diffraction (XRD), helium pycnometry density, specific surface area (SSA), inductively coupled plasma optical emission spectrometry (ICP-OES), extended X-ray absorption fine structure (EXAFS) spectroscopy, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and with magnetometry using superconducting quantum interference device (SQUID). Irrespective of the Co content, nanoparticles in their initial state present a similar morphology. They are composed of loosely agglomerated spherical particles with wurtzite-type crystal structure with crystallites of a mean size of 30 nm. Annealing to temperatures of up to 800 °C induced the growth of crystallites up to a maximum of 2 μm in diameter. For samples annealed in high purity nitrogen, the precipitation of metallic α-Co was detected for a Co content of 5 mol % or more. For samples annealed in synthetic air, no change of phase structure was detected, except for precipitation of Co3O4 for a Co content of 15 mol %. The results of the magentometry investigation indicated that all as-synthesized samples displayed paramagnetic properties with a contribution of anti-ferromagnetic coupling of Co-Co pairs. After annealing in synthetic air, the samples remained paramagnetic and samples annealed under nitrogen flow showed a magnetic response under the influences of a magnetic field, likely related to the precipitation of metallic Co in nanoparticles.

Eddy currents in the measurement of magnetic susceptibility of rocks

NASA Astrophysics Data System (ADS)

Ježek, Josef; Hrouda, František

2018-01-01

The in-phase and out-of-phase susceptibility of rocks is determined by the magnetic permeability of minerals, their viscous relaxation, and by eddy currents in electrically conductive minerals induced by the applied field. The last effect has been modelled by analytical solution of Maxwell equations for a conductive sphere immersed in a homogeneous, non-conductive medium with given permeability, in presence of an alternating field. The solution is a complex function of parameters describing the sphere (its size, conductivity and permeability), surrounding medium (permeability) and applied field (frequency). Without numerical evaluations, it is difficult to distinguish in-phase and out-of-phase (OPS) susceptibility. In this paper, approximate equations are derived for both susceptibility components, which depend only on the permeability contrast between the sphere and the surrounding medium, and the skin ratio, defined as the ratio between sphere radius and skin depth of the induced currents. These equations are used to obtain a systematic assessment of the role of electrical conductivity in determining the susceptibility of rock samples. The contribution of eddy currents to the susceptibility of diluted (<5%) magnetite particle dispersions is negligible at 1 kHz, but not at higher frequencies. Common rock-forming paramagnetic and diamagnetic minerals with weak electrical conductivity and magnetic permeability are characterized by negligible OPS at 1 kHz. Theoretically, measurable OPS and high phase angles can be produced by paramagnetic conductive minerals in certain combinations with a diamagnetic matrix. This can be excluded from practical point of view for paramagnetic minerals with susceptibilities >0.003 and conductivities not exceeding 5000 S/m.

Redox properties of the nitronyl nitroxide antioxidants studied via their reactions with nitroxyl and ferrocyanide.

PubMed

Bobko, A A; Khramtsov, V V

2015-01-01

Nitronyl nitroxides (NNs) are the paramagnetic probes that are capable of scavenging physiologically relevant reactive oxygen (ROS) and nitrogen (RNS) species, namely superoxide, nitric oxide (NO), and nitroxyl (HNO). NNs are increasingly considered as potent antioxidants and potential therapeutic agents. Understanding redox chemistry of the NNs is important for their use as antioxidants and as paramagnetic probes for discriminative detection of NO and HNO by electron paramagnetic resonance (EPR) spectroscopy. Here we investigated the redox properties of the two most commonly used NNs, including determination of the equilibrium and rate constants of their reduction by HNO and ferrocyanide, and reduction potential of the couple NN/hydroxylamine of nitronyl nitroxide (hNN). The rate constants of the reaction of the NNs with HNO were found to be equal to (1-2) × 10(4) M(-1)s(- 1) being close to the rate constants of scavenging superoxide and NO by NNs. The reduction potential of the NNs and iminonitroxides (INs, product of NNs reaction with NO) were calculated based on their reaction constants with ferrocyanide. The obtained values of the reduction potential for NN/hNN (E'0 ≈ 285 mV) and IN/hIN (E' ≈ 495 mV) are close to the corresponding values for vitamin C and vitamin E, correspondingly. The "balanced" scavenging rates of the NNs towards superoxide, NO, and HNO, and their low reduction potential being thermodynamically close to the bottom of the pecking order of oxidizing radicals, might be important factors contributing into their antioxidant activity.

The effect of ions on the magnetic moment of vacancy for ion-implanted 4H-SiC

NASA Astrophysics Data System (ADS)

Peng, B.; Zhang, Y. M.; Dong, L. P.; Wang, Y. T.; Jia, R. X.

2017-04-01

The structural properties and the spin states of vacancies in ion implanted silicon carbide samples are analyzed by experimental measurements along with first-principles calculations. Different types and dosages of ions (N+, O+, and B+) were implanted in the 4H-silicon carbide single crystal. The Raman spectra, positron annihilation spectroscopy, and magnetization-magnetic field curves of the implanted samples were measured. The fitting results of magnetization-magnetic field curves reveal that samples implanted with 1 × 1016 cm-2 N+ and O+ ions generate paramagnetic centers with various spin states of J = 1 and J = 0.7, respectively. While for other implanted specimens, the spin states of the paramagnetic centers remain unchanged compared with the pristine sample. According to the positron annihilation spectroscopy and first-principles calculations, the change in spin states originates from the silicon vacancy carrying a magnetic moment of 3.0 μB in the high dosage N-implanted system and 2.0 μB in the O-doped system. In addition, the ratio of the concentration of implanted N ions and silicon vacancies will affect the magnetic moment of VSi. The formation of carbon vacancy which does not carry a local magnetic moment in B-implanted SiC can explain the invariability in the spin states of the paramagnetic centers. These results will help to understand the magnetic moments of vacancies in ion implanted 4H-SiC and provide a possible routine to induce vacancies with high spin states in SiC for the application in quantum technologies and spintronics.

Free-radical probes for functional in vivo EPR imaging

NASA Astrophysics Data System (ADS)

Subramanian, S.; Krishna, M. C.

2007-02-01

Electron paramagnetic resonance imaging (EPRI) is one of the recent functional imaging modalities that can provide valuable in vivo physiological information on its own merit and aids as a complimentary imaging technique to MRI and PET of tissues especially with respect to in vivo pO II (oxygen partial pressure), redox status and pharmacology. EPR imaging mainly deals with the measurement of distribution and in vivo dynamics and redox changes using special nontoxic paramagnetic spin probes that can be infused into the object of investigation. These spin probes should be characterized by simple EPR spectra, preferably with narrow EPR lines. The line width should be reversibly sensitive to the concentration of in vivo pO II with a linear dependence. Several non-toxic paramagnetic probes, some particulate and insoluble and others water-soluble and infusible (by intravenous or intramuscular injection) have been developed which can be effectively used to quantitatively assess tissue redox status, and tumor hypoxia. Quantitative assessment of the redox status of tissue in vivo is important in investigating oxidative stress, and that of tissue pO II is very important in radiation oncology. Other areas in which EPR imaging and oxymetry may help are in the investigation of tumorangiogenesis, wound healing, oxygenation of tumor tissue by the ingestion of oxygen-rich gases, etc. The correct choice of the spin probe will depend on the modality of measurement (whether by CW or time-domain EPR imaging) and the particular physiology interrogated. Examples of the available spin probes and some EPR imaging applications employing them are presented.

Investigating the Structure of Paramagnetic Aggregates from Colloidal Emulsions (InSPACE-2) Experiment in Microgravity S

NASA Image and Video Library

2009-01-30

ISS018-E-024515 (30 Jan. 2009) --- Astronaut Sandra Magnus, Expedition 18 flight engineer, works with the Microgravity Science Glovebox (MSG) in the Columbus laboratory of the International Space Station.

40 CFR 1065.280 - Paramagnetic and magnetopneumatic O2 detection analyzers.

Code of Federal Regulations, 2010 CFR

2010-07-01

... algorithms that are functions of other gaseous measurements and the engine's known or assumed fuel properties. The target value for any compensation algorithm is 0.0% (that is, no bias high and no bias low...

40 CFR 91.304 - Test equipment overview.

Code of Federal Regulations, 2013 CFR

2013-07-01

... non-dispersive infrared detector (NDIR) absorption type for carbon monoxide and carbon dioxide analysis; paramagnetic detector (PMD), zirconia (ZRDO), or electrochemical type (ECS) for oxygen analysis; a flame ionization detector (FID) or heated flame ionization detector (HFID) type for hydrocarbon...

40 CFR 91.304 - Test equipment overview.

Code of Federal Regulations, 2012 CFR

2012-07-01

... non-dispersive infrared detector (NDIR) absorption type for carbon monoxide and carbon dioxide analysis; paramagnetic detector (PMD), zirconia (ZRDO), or electrochemical type (ECS) for oxygen analysis; a flame ionization detector (FID) or heated flame ionization detector (HFID) type for hydrocarbon...

40 CFR 91.304 - Test equipment overview.

Code of Federal Regulations, 2011 CFR

2011-07-01

... non-dispersive infrared detector (NDIR) absorption type for carbon monoxide and carbon dioxide analysis; paramagnetic detector (PMD), zirconia (ZRDO), or electrochemical type (ECS) for oxygen analysis; a flame ionization detector (FID) or heated flame ionization detector (HFID) type for hydrocarbon...

40 CFR 91.304 - Test equipment overview.

Code of Federal Regulations, 2010 CFR

2010-07-01

... non-dispersive infrared detector (NDIR) absorption type for carbon monoxide and carbon dioxide analysis; paramagnetic detector (PMD), zirconia (ZRDO), or electrochemical type (ECS) for oxygen analysis; a flame ionization detector (FID) or heated flame ionization detector (HFID) type for hydrocarbon...

Characterization of radiation-induced damage in high performance polymers by electron paramagnetic resonance imaging spectroscopy

NASA Technical Reports Server (NTRS)

Suleman, Naushadalli K.

1992-01-01

The potential for long-term human activity beyond the Earth's protective magnetosphere is limited in part by the lack of detailed information on the effectiveness and performance of existing structural materials to shield the crew and spacecraft from highly penetrating space radiations. The two radiations of greatest concern are high energy protons emitted during solar flares and galactic cosmic rays which are energetic ions ranging from protons to highly oxidized iron. Although the interactions of such high-energy radiations with matter are not completely understood at this time, the effects of the incident radiation are clearly expected to include the formation of paramagnetic spin centers via ionization and bond-scission reactions in the molecular matrices of structural materials. Since this type of radiation damage is readily characterized by Electron Paramagnetic Resonance (EPR) spectroscopy, the NASA Langley Research Center EPR system was repaired and brought on-line during the 1991 ASEE term. A major goal of the 1992 ASEE term was to adapt the existing core of the LaRC EPR system to meet the requirements for EPR Imaging--a powerful new technique which provides detailed information on the internal structure of materials by mapping the spatial distribution of unpaired spin density in bulk media. Major impetus for this adaptation arises from the fact that information derived from EPRI complements other methods such as scanning electron microscopy which primarily characterize surface phenomena. The modification of the EPR system has been initiated by the construction of specially designed, counterwound Helmholtz coils which will be mounted on the main EPR electromagnet. The specifications of the coils have been set to achieve a static linear magnetic field gradient of 10 gauss/mm/amp along the principal (Z) axis of the Zeeman field. Construction is also in progress of a paramagnetic standard in which the spin distribution is known in all three dimensions. This sample will be used to assess the linearity of the magnetic field gradient and to ensure authentic image reconstruction. A second major task was to secure the computer capability to enable image reconstruction from projection data generated by the magnetic field gradients. To this end, commercially available and public domain software packages which perform inverse Fourier Transform and convoluted (filtered) back projection functions are being integrated into the existing EPR data processing system.

Spectroscopy `outside the box': Towards wider application of NMR to minerals and glasses with abundant paramagnetic cations - Fe, Ni, Co, and Cu silicates

NASA Astrophysics Data System (ADS)

Stebbins, J. F.

2017-12-01

Since the early applications of solid-state NMR (Nuclear Magnetic Resonance) to silicates in the early 1980's, this powerful method has been widely applied to problems of short- to medium-range structure, particularly for materials in which order/disorder is critical, such as crystalline solid solutions, glasses, and even melts. However, almost all such work has been on materials with low (< a few %) contents of ions with unpaired electron spins. Such spins interact strongly with NMR-observed nuclear spins, and can cause severe line broadening and loss of information, in some cases making spectra nearly unobservable. Many groups of minerals with abundant, paramagnetic transition metals (notably Fe2+) and rare earth cations, as well as wide, petrologically important ranges of glass composition have thus been excluded. Inspired by in-depth NMR studies of 31P, 7Li, and other nuclides in lithium-transition metal oxide and phosphate battery materials (C. Grey and others), and with some serendipitous discovery plus persistence to look far outside of "normal" parameter space, we have recently shown that high resolution, structurally informative spectra can actually be obtained for silicate, oxide, and phosphate solid solutions with moderate (0.1 up to 10%) contents of paramagnetic cations such as Fe2+, Ni2+, Co2+ and REE3+. Very recently we have extended this to observe some of the first quantitative NMR spectra of silicate minerals in which a paramagnetic transition metal is the major cation, obtaining useful data for a series of Cu2+ silicates, fayalite (Fe2SiO4) and Ni- and Co- equivalents of diopside (CaMSi2O6). New data for glasses of the latter compositions may be the first such accurate results for any transition metal-rich glass. Although we are still far from a detailed theoretical understanding of these data, the spectra for the glasses are quite different from those of the crystals, suggesting the possibility of medium-range ordering and clustering of NiO and CoO-rich regions. If this conclusion holds up, it may have major implications for thermodynamic models of activities of such components in melts, which in turn are important for a number of geothermometers and barometers based on mineral-melt partitioning.

Magnetic properties of the ejecta blanket from the Chicxulub impact crater: Analog for robotic exploration of similar deposits on Mars

NASA Astrophysics Data System (ADS)

Kletetschka, G.; Wasilewski, P. J.; Ocampo, A.; Pope, K.

2001-05-01

A major focus in the search for fossil life on Mars is on recognition of the proper material on the surface. Heavily cratered surface suggests high concentration of fluidized ejecta deposits. Because magnetism of rocks is an easy measure for remote robotic tools we collected samples of ejecta blanket deposits in southern Mexico and throughout Belize as a Martian analog. The ejecta layer (spheroid bed) that blankets the preexisting Cretaceous dolomite units consists of green glassy fragments, pink and white spheroids (accretionary lapilli) and darker fragments of limestone. The spheroid bed is overlain by a coarse unit of pebbles, cobbles, and boulders, which in more distal locations is composed of a pebble conglomerate. Clasts in the conglomerate (Pooks Pebbles) have striated features consistent with hypervelocity collisions during impact. We examined the magnetic properties of individual fragments within the spheroid bed. Green glassy fragments are highly paramagnetic (0.2 to 0.3 Am2kg-1 at 2 Tesla field) with no ferromagnetic component detected. Pink spheroids are slightly paramagnetic (0.001 to 0.04 Am2kg-1 at 2 Tesla field) and commonly contain soft ferromagnetic component (saturation magnetization (Ms) = 0.02 to 0.03 Am2kg-1). White spheroids have more or less equal amount of paramagnetic and diamagnetic components (-0.08 to 0.03 Am2kg-1 at 2 Tesla field) and no apparent ferromagnetism. Darker fragments are diamagnetic (-0.05 to -0.02 Am2kg-1 at 2 Tesla field) with absence of ferromagnetism. Intense paramagnetic properties of the glass allow easy distinction of glass containing samples. Pink spheroids appear to contain the largest amount of ferromagnetic particles. Diamagnetic dark grains are most likely fragments of limestone. Pebbles from the conglomerate unit are dolomite and consequently diamagnetic. The diamagnetism was established with field magnetic susceptibility measurements. Pebbles have very small natural remanent magnetization (NRM). Thermal remanent magnetization (TRM) acquisition in laboratory field (0.04 mT) does, however, indicate that carriers capable of acquiring TRM are present. Absence of TRM in these pebbles indicates that they were not heated above the Currie point of hematite and/or magnetite (680 C and 570 C respectively) after they were deposited.

InSPACE3 Experiment Run

NASA Image and Video Library

2013-10-14

ISS037-E-010695 (14 Oct. 2013) --- European Space Agency astronaut Luca Parmitano, Expedition 37 flight engineer, works with the Investigating the Structure of Paramagnetic Aggregates from Colloidal Emulsions - 3 (InSPACE-3) experiment in the Destiny laboratory of the International Space Station.

InSPACE3 Experiment Run

NASA Image and Video Library

2013-10-14

ISS037-E-010697 (14 Oct. 2013) --- European Space Agency astronaut Luca Parmitano, Expedition 37 flight engineer, works with the Investigating the Structure of Paramagnetic Aggregates from Colloidal Emulsions - 3 (InSPACE-3) experiment in the Destiny laboratory of the International Space Station.

InSPACE3 Experiment Run

NASA Image and Video Library

2013-10-14

ISS037-E-010698 (14 Oct. 2013) --- European Space Agency astronaut Luca Parmitano, Expedition 37 flight engineer, works with the Investigating the Structure of Paramagnetic Aggregates from Colloidal Emulsions - 3 (InSPACE-3) experiment in the Destiny laboratory of the International Space Station.

40 CFR 91.304 - Test equipment overview.

Code of Federal Regulations, 2014 CFR

2014-07-01

... infrared detector (NDIR) absorption type for carbon monoxide and carbon dioxide analysis; paramagnetic detector (PMD), zirconia (ZRDO), or electrochemical type (ECS) for oxygen analysis; a flame ionization detector (FID) or heated flame ionization detector (HFID) type for hydrocarbon analysis; and a...

InSPACE experiment

NASA Image and Video Library

2009-08-01

ISS020-E-026859 (1 Aug. 2009) --- European Space Agency astronaut Frank De Winne, Expedition 20 flight engineer, works with the Investigating the Structure of Paramagnetic Aggregates from Colloidal Emulsions (InSPACE) experiment in the Microgravity Science Glovebox (MSG) in the Columbus laboratory of the International Space Station.

InSPACE Experiment

NASA Image and Video Library

2012-12-31

View of Command and Monitoring Panel (CMP),and Power Distribution and Conversion Box (PDC),on the Microgravity Science Glovebox (MSG) rack during Investigating the Structure of Paramagnetic Aggregates from Colloidal Emulsions 3 (InSPACE-3) Experiment,in the U.S. Laboratory. Photo was taken during Expedition 34.

40 CFR 91.4 - Acronyms and abbreviations.

Code of Federal Regulations, 2010 CFR

2010-07-01

... CAAA—Clean Air Act Amendments of 1990 CLD—chemiluminescent detector CO—Carbon monoxide CO2—Carbon...—hydrocarbons HCLD—heated chemiluminescent detector HFID—heated flame ionization detector ICI—Independent... OEM—Original engine manufacturer PMD—paramagnetic detector PWC—personal watercraft RPM—revolutions per...

40 CFR 91.4 - Acronyms and abbreviations.

Code of Federal Regulations, 2013 CFR

2013-07-01

... CAAA—Clean Air Act Amendments of 1990 CLD—chemiluminescent detector CO—Carbon monoxide CO2—Carbon...—hydrocarbons HCLD—heated chemiluminescent detector HFID—heated flame ionization detector ICI—Independent... OEM—Original engine manufacturer PMD—paramagnetic detector PWC—personal watercraft RPM—revolutions per...

40 CFR 91.4 - Acronyms and abbreviations.

Code of Federal Regulations, 2014 CFR

2014-07-01

... CAAA—Clean Air Act Amendments of 1990 CLD—chemiluminescent detector CO—Carbon monoxide CO2—Carbon...—hydrocarbons HCLD—heated chemiluminescent detector HFID—heated flame ionization detector ICI—Independent... OEM—Original engine manufacturer PMD—paramagnetic detector PWC—personal watercraft RPM—revolutions per...

40 CFR 91.4 - Acronyms and abbreviations.

Code of Federal Regulations, 2011 CFR

2011-07-01

... CAAA—Clean Air Act Amendments of 1990 CLD—chemiluminescent detector CO—Carbon monoxide CO2—Carbon...—hydrocarbons HCLD—heated chemiluminescent detector HFID—heated flame ionization detector ICI—Independent... OEM—Original engine manufacturer PMD—paramagnetic detector PWC—personal watercraft RPM—revolutions per...

40 CFR 91.4 - Acronyms and abbreviations.

Code of Federal Regulations, 2012 CFR

2012-07-01

... CAAA—Clean Air Act Amendments of 1990 CLD—chemiluminescent detector CO—Carbon monoxide CO2—Carbon...—hydrocarbons HCLD—heated chemiluminescent detector HFID—heated flame ionization detector ICI—Independent... OEM—Original engine manufacturer PMD—paramagnetic detector PWC—personal watercraft RPM—revolutions per...

40 CFR 1065.280 - Paramagnetic and magnetopneumatic O2 detection analyzers.

Code of Federal Regulations, 2013 CFR

2013-07-01

... (CONTINUED) AIR POLLUTION CONTROLS ENGINE-TESTING PROCEDURES Measurement Instruments O2 Measurements § 1065... diluted exhaust for batch or continuous sampling. You may use O2 measurements with intake air or fuel flow.... 15, 2011] Air-to-Fuel Ratio Measurements ...

40 CFR 1065.280 - Paramagnetic and magnetopneumatic O2 detection analyzers.

Code of Federal Regulations, 2012 CFR

2012-07-01

... (CONTINUED) AIR POLLUTION CONTROLS ENGINE-TESTING PROCEDURES Measurement Instruments O2 Measurements § 1065... diluted exhaust for batch or continuous sampling. You may use O2 measurements with intake air or fuel flow.... 15, 2011] Air-to-Fuel Ratio Measurements ...

Doxorubicin loaded large-pore mesoporous hydroxyapatite coated superparamagnetic Fe3O4 nanoparticles for cancer treatment.

PubMed

Abbasi Aval, Negar; Pirayesh Islamian, Jalil; Hatamian, Milad; Arabfirouzjaei, Mohammad; Javadpour, Jafar; Rashidi, Mohammad-Reza

2016-07-25

In the present study, a series of multifunctional drug delivery systems based on mesostructured hydroxyapatite coating and superparamagnetic nanoparticles with pH-responsive characters was prepared. The structure of each new synthesized nanoscale composite was fully characterized by XRD, FTIR, TEM, VSM and BET. The results showed a good ordered mesostructure having large pores, high pore volume, high surface area, and varied super paramagnetic properties. The mesoporous hydroxyapatite coated super paramagnetic Fe3O4 nanoparticles were applied as a drug delivery carrier loaded with doxorubicin (DOX) as a model drug. The storage/release properties of the developed nonocarriers in phosphate buffer saline (PBS) were studied in two certain pHs: pH=7.4 (the human blood pH) and pH=5.5 (pH of cancer cells). The large pores in the synthesized mesoporous acted as an excellent carrier for DOX molecules with a loading efficiency of ≈93% which is much higher than that of the conventional hydroxyapatite particles. When the pH of the release medium (PBS) was changed from 7.4 to 5.5, the drug release increased significantly from 10% of the adsorbed drug to about 70%. DOX-loaded mesostructure hydroxyapatite reduced the viability of SKBR3 and T47D cells by 54.7 and 57.3%, respectively, which were very similar to 56.8 and 60.4% reduction resulted from free DOX incubation. This new drug delivery system which benefits from both super paramagnetic properties and pH-responsive performances may serve as a suitable platform for developing new biocompatible drug carriers and could have a good potential use in targeted cancer therapy. Copyright © 2016 Elsevier B.V. All rights reserved.

High-precision measurement of the electron spin g factor of trapped atomic nitrogen in the endohedral fullerene N@C60

NASA Astrophysics Data System (ADS)

Wittmann, J. J.; Can, T. V.; Eckardt, M.; Harneit, W.; Griffin, R. G.; Corzilius, B.

2018-05-01

The electronic g factor carries highly useful information about the electronic structure of a paramagnetic species, such as spin-orbit coupling and dia- or paramagnetic (de-)shielding due to local fields of surrounding electron pairs. However, in many cases, a near "spin-only" case is observed, in particular for light elements, necessitating accurate and precise measurement of the g factors. Such measurement is typically impeded by a "chicken and egg situation": internal or external reference standards are used for relative comparison of electron paramagnetic resonance (EPR) Larmor frequencies. However, the g factor of the standard itself usually is subject to a significant uncertainty which directly limits the precision and/or accuracy of the sought after sample g factor. Here, we apply an EPR reference-free approach for determining the g factor of atomic nitrogen trapped within the endohedral fullerene C60:N@C60 in its polycrystalline state by measuring the 1H NMR resonance frequency of dispersing toluene at room temperature. We found a value of g = 2.00204 (4) with a finally reached relative precision of ∼20 ppm. This accurate measurement allows us to directly compare the electronic properties of N@C60 to those found in atomic nitrogen in the gas phase or trapped in other solid matrices at liquid helium temperature. We conclude that spin-orbit coupling in N@C60 at room temperature is very similar in magnitude and of same sign as found in other inert solid matrices and that interactions between the quartet spin system and the C60 molecular orbitals are thus negligible.

Energy transfer and tunable multicolor emission and paramagnetic properties of GdF3:Dy(3+),Tb(3+),Eu(3+) phosphors.

PubMed

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.

Anti-HER2 immunoliposomes for selective delivery of electron paramagnetic resonance imaging probes to HER2-overexpressing breast tumor cells

PubMed Central

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

Electron paramagnetic resonance of Nb-doped BaTiO3 ceramics with positive temperature coefficient of resistivity

NASA Astrophysics Data System (ADS)

Jida, Shin'suke; Miki, Toshikatsu

1996-11-01

Paramagnetic centers in Nb-doped BaTiO3 ceramics are measured at 77-500 K by electron paramagnetic resonance (EPR) for investigating the role of the centers on the well-known positive temperature coefficient of resistivity (PTCR) effect (PTCR at the Curie temperature). EPR detects four signals; an anisotropically broad singlet signal at g=2.005, a sextet signal due to Mn2+, a Cr3+ signal, and a Ti3+ signal. The former two signals arise in the rhombohedral and cubic phases, but disappear in the tetragonal and orthorhombic phases. The Cr3+ signal appears in all of the phases, while the Ti3+ signal is detected only at low temperatures. The singlet signal also arises in undoped, barium-deficient BaTiO3 ceramics, therefore the signal is attributable to barium-vacancy-associated centers rather than Nb4+ ions or Fe3+ ions proposed by several authors. In this article, we propose that the singlet signal is due to vacancy-pairs of VBa-F+ type, i.e., the vacancy pair of VBa-VO capturing one electron. The electrical resistivity data show a polaronic character of low-temperature conduction and a high resistivity jump around the Curie temperature. The low-temperature polaronic conduction is explained in terms of electron-hopping between Ti4+ and Ti3+ ions. The resistivity jump at the Curie temperature occurs along with the EPR intensity increase of the singlet signal, the Mn2+ signal and the Cr3+ signal. We conclude that the PTCR of Nb-doped BaTiO3 ceramics is strongly associated with the trap activation of the VBa-VO vacancy-pairs and manganese centers at the tetragonal-to-cubic transition.

Magnetic resonance conditional paramagnetic choke for suppression of imaging artifacts during magnetic resonance imaging.

PubMed

Wu, Kevin J; Gregory, T Stan; Boland, Brian L; Zhao, Wujun; Cheng, Rui; Mao, Leidong; Tse, Zion Tsz Ho

2018-06-01

Higher risk patient populations require continuous physiological monitoring and, in some cases, connected life-support systems, during magnetic resonance imaging examinations. While recently there has been a shift toward wireless technology, some of the magnetic resonance imaging devices are still connected to the outside using cabling that could interfere with the magnetic resonance imaging's radio frequency during scanning, resulting in excessive heating. We developed a passive method for radio frequency suppression on cabling that may assist in making some of these devices magnetic resonance imaging compatible. A barrel-shaped strongly paramagnetic choke was developed to suppress induced radio frequency signals which are overlaid onto physiological monitoring leads during magnetic resonance imaging. It utilized a choke placed along the signal lines, with a gadolinium solution core. The choke's magnetic susceptibility was modeled, for a given geometric design, at increasing chelate concentration levels, and measured using a vibrating sample magnetometer. Radio frequency noise suppression versus frequency was quantified with network-analyzer measurements and tested using cabling placed in the magnetic resonance imaging scanner. Temperature-elevation and image-quality reduction due to the device were measured using American Society for Testing and Materials phantoms. Prototype chokes with gadolinium solution cores exhibited increasing magnetic susceptibility, and insertion loss (S21) also showed higher attenuation as gadolinium concentration increased. Image artifacts extending <4 mm from the choke were observed during magnetic resonance imaging, which agreed well with the predicted ∼3 mm artifact from the electrochemical machining simulation. An accompanying temperature increase of <1 °C was observed in the magnetic resonance imaging phantom trial. An effective paramagnetic choke for radio frequency suppression during magnetic resonance imaging was developed and its performance demonstrated.

Low temperature synthesis of LnOF rare-earth oxyfluorides through reaction of the oxides with PTFE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dutton, S.E., E-mail: sdutton@princeton.edu; Hirai, D.; Cava, R.J.

2012-03-15

Highlights: Black-Right-Pointing-Pointer Low temperature synthesis of LnOF rare-earth oxyfluorides from Ln{sub 2}O{sub 3} and PTFE (CF{sub 2}). Black-Right-Pointing-Pointer Rhombohedral LnOF is the major phase and forms as nanocrystals, 29-103 nm. Black-Right-Pointing-Pointer Expected lanthanide contraction observed in lattice parameters and bond lengths. Black-Right-Pointing-Pointer TbOF orders antiferromagnetically at 10 K and has a metamagnetic transition at 1.8 T. Black-Right-Pointing-Pointer GdOF orders antiferromagnetically at 5 K, other LnOF are paramagnetic. -- Abstract: A low temperature solid-state synthesis route, employing polytetrafluoroethylene (PTFE) and the rare-earth oxides, for the formation of the LnOF rare-earth oxyfluorides (Ln = Y, La, Pr, Nd, Sm, Eu, Gd, Tb,more » Dy, Ho, Er), is reported. With the exception of LaOF, which forms in a tetragonal variant, rhomobohedral LnOF is found to be the major product of the reaction. In the case of PrOF, a transition from the rhombohedral to the cubic fluorite phase is observed on heating in air to 500 Degree-Sign C. X-ray diffraction shows the expected lanthanide contraction in the lattice parameters and bond lengths. Magnetic susceptibility measurements show antiferromagnetic-like ordering in TbOF, T{sub m} = 10 K, with a metamagnetic transition at a field {mu}{sub 0}H{sub t} = 1.8 T at 2 K. An antiferromagnetic transition, T{sub N} = 4 K, is observed in GdOF. Paramagnetic behavior is observed above 2 K in PrOF, NdOF, DyOF, HoOF and ErOF. The magnetic susceptibility of EuOF is characteristic of Van Vleck paramagnetism.« less

Paramagnetic and glass transitions in sudoku

NASA Astrophysics Data System (ADS)

Williams, A.; Ackland, G. J.

2012-09-01

We study the statistical mechanics of a model glassy system based on sudoku, a familiar and popular mathematical puzzle. Sudoku puzzles provide a very rare example of a class of frustrated systems with a unique ground state without symmetry. Here, the puzzle is recast as a thermodynamic system where the number of violated rules defines the energy. We use Monte Carlo simulation to show that the “sudoku Hamiltonian” exhibits two transitions as a function of temperature, a paramagnetic, and a glass transition. Of these, the intermediate condensed phase is the only one that visits the ground state (i.e., it solves the puzzle, though this is not the purpose of the study). Both transitions are associated with an entropy change, paramagnetism measured from the dynamics of the Monte Carlo run, showing a peak in specific heat, while the residual glass entropy is determined by finding multiple instances of the glass by repeated annealing. There are relatively few such simple models for frustrated or glassy systems that exhibit both ordering and glass transitions; sudoku puzzles are unique for the ease with which they can be obtained, with the proof of the existence of a unique ground state via the satisfiability of all constraints. Simulations suggest that in the glass phase there is an increase in information entropy with lowering temperature. In fact, we have shown that sudoku puzzles have the type of rugged energy landscape with multiple minima that typifies glasses in many physical systems. This puzzling result is a manifestation of the paradox of the residual glass entropy. These readily available puzzles can now be used as solvable model Hamiltonian systems for studying the glass transition.

Light-adaptation of photosystem II is mediated by the plastoquinone pool.

PubMed

Ahrling, Karin A; Peterson, Sindra

2003-07-01

During the first few enzymatic turnovers after dark-adaptation of photosystem II (PSII), the relaxation rate of the EPR signals from the Mn cluster and Y(D)(*) are significantly enhanced. This light-adaptation process has been suggested to involve the appearance of a new paramagnet on the PSII donor side [Peterson, S., Ahrling, K., Högblom, J., and Styring, S. (2003) Biochemistry 42, 2748-2758]. In the present study, a correlation is established between the observed relaxation enhancement and the redox state of the quinone pool. It is shown that the addition of quinol to dark-adapted PSII membrane fragments induces relaxation enhancement already after a single oxidation of the Mn, comparable to that observed after five oxidations in samples with quinones (PPBQ or DQ) added. The saturation behavior of Y(D)(*) revealed that with quinol added in the dark, a single flash was necessary for the relaxation enhancement to occur. The quinol-induced relaxation enhancement of PSII was also activated by illumination at 200 K. Whole thylakoids, with no artificial electron acceptor present but with an intact plastoquinone pool, displayed the same relaxation enhancement on the fifth flash as membrane fragments with exogenous quinones present. We conclude that (i) reduction of the quinone pool induces the relaxation enhancement of the PSII donor-side paramagnets, (ii) light is required for the quinol to effect the relaxation enhancement, and (iii) light-adaptation occurs in the intact thylakoid system, when the endogenous plastoquinone pool is gradually reduced by PSII turnover. It seems clear that a species on the PSII donor side is reduced by the quinol, to become a potent paramagnetic relaxer. On the basis of XANES reports, we suggest that this species may be the Mn ions not involved in the cyclic redox changes of the oxygen-evolving complex.

Evolving microstructure, magnetic properties and phase transition in a mechanically alloyed Ni0.5Zn0.5Fe2O4 single sample

NASA Astrophysics Data System (ADS)

Ismail, Ismayadi; Hashim, Mansor; Kanagesan, Samikannu; Ibrahim, Idza Riati; Nazlan, Rodziah; Wan Ab Rahman, Wan Norailiana; Abdullah, Nor Hapishah; Mohd Idris, Fadzidah; Bahmanrokh, Ghazaleh; Shafie, Mohd Shamsul Ezzad; Manap, Masni

2014-02-01

We report on an investigation to unravel the dependence of magnetic properties on microstructure while they evolve in parallel under the influence of sintering temperature of a single sample of Ni0.5Zn0.5Fe2O4 synthesized via mechanical alloying. A single sample, instead of the normally practiced approach of using multiple samples, was sintered at various sintering temperatures from 500 °C to 1400 °C. The morphology of the samples was studied by means of scanning electron microscopy (SEM) equipped with EDX; density measurement was conducted using the Archimedes principle; and hysteresis measurement was carried out using a B-H hysteresisgraph system. XRD data showed that the first appearance of a single phase was at 800 °C and an amorphous phase was traced at lower sintering temperatures. We correlated the microstructure and the magnetic properties and showed that the important grain-size threshold for the appearance of significant ordered magnetism (mainly ferromagnetism) was about ≥0.3 µm. We found that there were three stages of magnetic phase evolution produced via the sintering process with increasing temperatures. The first stage was dominated by paramagnetic states with some superparamagnetic behavior; the second stage was influenced by moderately ferromagnetic states and some paramagnetic states; and the third stage consisted of strongly ferromagnetic states with negligible paramagnetic states. We found that three factors sensitively influenced the sample's content of ordered magnetism—the ferrite-phase crystallinity degree, the number of grains above the critical grain size and the number of large enough grains for domain wall accommodation.

Disruptive chemical doping in a ferritin-based iron oxide nanoparticle to decrease r2 and enhance detection with T1-weighted MRI.

PubMed

Clavijo Jordan, M Veronica; Beeman, Scott C; Baldelomar, Edwin J; Bennett, Kevin M

2014-01-01

Inorganic doping was used to create flexible, paramagnetic nanoparticle contrast agents for in vivo molecular magnetic resonance imaging (MRI) with low transverse relaxivity (r2). Most nanoparticle contrast agents formed from superparamagnetic metal oxides are developed with high r2. While sensitive, they can have limited in vivo detection due to a number of constraints with T2 or T2*-weighted imaging. T1-weighted imaging is often preferred for molecular MRI, but most T1-shortening agents are small chelates with low metal payload or are nanoparticles that also shorten T2 and limit the range of concentrations detectable with T1-weighting. Here we used tungsten and iron deposition to form doped iron oxide crystals inside the apoferritin cavity to form a WFe nanoparticle with a disordered crystal and un-coupled atomic magnetic moments. The atomic magnetic moments were thus localized, resulting in a principally paramagnetic nanoparticle. The WFe nanoparticles had no coercivity or saturation magnetization at 5 K and sweeping up to ± 20,000 Oe, while native ferritin had a coercivity of 3000 Oe and saturation at ± 20,000 Oe. This tungsten-iron crystal paramagnetism resulted in an increased WFe particle longitudinal relaxivity (r1) of 4870 mm(-1) s(-1) and a reduced transverse relaxivity (r2) of 9076 mm(-1) s(-1) compared with native ferritin. The accumulation of the particles was detected with T1-weighted MRI in concentrations from 20 to 400 nm in vivo, both injected in the rat brain and targeted to the rat kidney glomerulus. The WFe apoferritin nanoparticles were not cytotoxic up to 700 nm particle concentrations, making them potentially important for targeted molecular MRI. Copyright © 2014 John Wiley & Sons, Ltd.

Microstructural Investigation, Raman and Magnetic Studies on Chemically Synthesized Nanocrystalline Ni-Doped Gadolinium Oxide (Gd1.90Ni0.10O3- δ )

NASA Astrophysics Data System (ADS)

Sarkar, B. J.; Mandal, J.; Dalal, M.; Bandyopadhyay, A.; Satpati, B.; Chakrabarti, P. K.

2018-03-01

Nanocrystalline Ni-doped gadolinium oxide (Gd1.90Ni0.10O3- δ , GNO) is synthesized by co-precipitation method. The as-prepared sample is annealed in vacuum at 700°C for 6 h. Analyses of the x-ray diffractogram by Rietveld refinement method, transmission electron microscopy and Raman spectroscopy of GNO recorded at room temperature confirmed the pure crystallographic phase and complete substitution of Ni-ions in Gd2O3 lattice. Magnetization ( M) as a function of temperature ( T) and magnetic field ( H) is measured by a superconducting quantum interference device magnetometer, which suggests the presence of ferromagnetic/antiferromagnetic phases together with a paramagnetic phase. From the M-T curve it can be shown that the ferromagnetic phase dominates over para-/antiferromagnetic phases in the temperature range of 300-100 K, but from 100 K to 50 K, the antiferromagnetic phase dominates over ferro-/paramagnetic phases. Hysteresis loops recorded at different temperatures indicate the presence of weak ferro-/antiferromagnetism, which dominates in the low field region (˜ 4000 Oe), above which magnetization increases linearly. The sharp increase of magnetization in M-T curve observed in the temperature range of 50-5 K confirms the presence of dominating ferromagnetic plus paramagnetic phase over antiferromagnetic part. For the first time a combined formula generated from three-dimensional (3D) spin wave model and Johnston formula is proposed to analyze the coexistence of different magnetic phases in different temperature ranges. Interestingly, the combined formula successfully explains the co-existence of different magnetic phases along with their contribution at different temperatures. The onset of ferromagnetism in Gd1.90Ni0.10O3- δ is explained by oxygen vacancy mediated F-centre exchange (FCE) coupling mechanism.

Small substrate transport and mechanism of a molybdate ATP binding cassette transporter in a lipid environment.

PubMed

Rice, Austin J; Harrison, Alistair; Alvarez, Frances J D; Davidson, Amy L; Pinkett, Heather W

2014-05-23

Embedded in the plasma membrane of all bacteria, ATP binding cassette (ABC) importers facilitate the uptake of several vital nutrients and cofactors. The ABC transporter, MolBC-A, imports molybdate by passing substrate from the binding protein MolA to a membrane-spanning translocation pathway of MolB. To understand the mechanism of transport in the biological membrane as a whole, the effects of the lipid bilayer on transport needed to be addressed. Continuous wave-electron paramagnetic resonance and in vivo molybdate uptake studies were used to test the impact of the lipid environment on the mechanism and function of MolBC-A. Working with the bacterium Haemophilus influenzae, we found that MolBC-A functions as a low affinity molybdate transporter in its native environment. In periods of high extracellular molybdate concentration, H. influenzae makes use of parallel molybdate transport systems (MolBC-A and ModBC-A) to take up a greater amount of molybdate than a strain with ModBC-A alone. In addition, the movement of the translocation pathway in response to nucleotide binding and hydrolysis in a lipid environment is conserved when compared with in-detergent analysis. However, electron paramagnetic resonance spectroscopy indicates that a lipid environment restricts the flexibility of the MolBC translocation pathway. By combining continuous wave-electron paramagnetic resonance spectroscopy and substrate uptake studies, we reveal details of molybdate transport and the logistics of uptake systems that employ multiple transporters for the same substrate, offering insight into the mechanisms of nutrient uptake in bacteria. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

OPTESIM, a Versatile Toolbox for Numerical Simulation of Electron Spin Echo Envelope Modulation (ESEEM) that Features Hybrid Optimization and Statistical Assessment of Parameters

PubMed Central

Sun, Li; Hernandez-Guzman, Jessica; Warncke, Kurt

2009-01-01

Electron spin echo envelope modulation (ESEEM) is a technique of pulsed-electron paramagnetic resonance (EPR) spectroscopy. The analyis of ESEEM data to extract information about the nuclear and electronic structure of a disordered (powder) paramagnetic system requires accurate and efficient numerical simulations. A single coupled nucleus of known nuclear g value (gN) and spin I=1 can have up to eight adjustable parameters in the nuclear part of the spin Hamiltonian. We have developed OPTESIM, an ESEEM simulation toolbox, for automated numerical simulation of powder two- and three-pulse one-dimensional ESEEM for arbitrary number (N) and type (I, gN) of coupled nuclei, and arbitrary mutual orientations of the hyperfine tensor principal axis systems for N>1. OPTESIM is based in the Matlab environment, and includes the following features: (1) a fast algorithm for translation of the spin Hamiltonian into simulated ESEEM, (2) different optimization methods that can be hybridized to achieve an efficient coarse-to-fine grained search of the parameter space and convergence to a global minimum, (3) statistical analysis of the simulation parameters, which allows the identification of simultaneous confidence regions at specific confidence levels. OPTESIM also includes a geometry-preserving spherical averaging algorithm as default for N>1, and global optimization over multiple experimental conditions, such as the dephasing time ( ) for three-pulse ESEEM, and external magnetic field values. Application examples for simulation of 14N coupling (N=1, N=2) in biological and chemical model paramagnets are included. Automated, optimized simulations by using OPTESIM lead to a convergence on dramatically shorter time scales, relative to manual simulations. PMID:19553148

Lanthanide co-doped paramagnetic spindle-like mesocrystals for imaging and autophagy induction

NASA Astrophysics Data System (ADS)

Xu, Yun-Jun; Lin, Jun; Lu, Yang; Zhong, Sheng-Liang; Wang, Lei; Dong, Liang; Wu, Ya-Dong; Peng, Jun; Zhang, Li; Pan, Xiao-Feng; Zhou, Wei; Zhao, Yang; Wen, Long-Ping; Yu, Shu-Hong

2016-07-01

We synthesized two novel lanthanide doped spindle-like mesocrystals, YF3:Ce,Eu,Gd and YF3:Ce,Tb,Gd (abbreviated as YEG and YTG mesospindles, respectively). Both of them possess paramagnetic and fluorescent properties, and their excellent cyto-compatibility and low haemolysis are further confirmed. Therefore, they could act as dual mode contrast agents for magnetic resonance imaging (MRI) and fluorescence imaging. Furthermore, YEG and YTG mesospindles induce dose and time dependent autophagy by activating the PI3K signaling pathway. The autophagy induced by YEG and YTG mesocrystals is confirmed by enhanced autophagosome formation, normal cargo degradation, and no disruption of lysosomal function. This work is important to illustrate how rare-earth mesocrystals affect the autophagic pathway, indicating the potential of the YEG and YTG mesospindles in diagnosis and therapy.We synthesized two novel lanthanide doped spindle-like mesocrystals, YF3:Ce,Eu,Gd and YF3:Ce,Tb,Gd (abbreviated as YEG and YTG mesospindles, respectively). Both of them possess paramagnetic and fluorescent properties, and their excellent cyto-compatibility and low haemolysis are further confirmed. Therefore, they could act as dual mode contrast agents for magnetic resonance imaging (MRI) and fluorescence imaging. Furthermore, YEG and YTG mesospindles induce dose and time dependent autophagy by activating the PI3K signaling pathway. The autophagy induced by YEG and YTG mesocrystals is confirmed by enhanced autophagosome formation, normal cargo degradation, and no disruption of lysosomal function. This work is important to illustrate how rare-earth mesocrystals affect the autophagic pathway, indicating the potential of the YEG and YTG mesospindles in diagnosis and therapy. Electronic supplementary information (ESI) available: Size distribution, HRTEM image and additional cellular data. See DOI: 10.1039/c6nr03171d

Facile synthesis of thermal- and photostable titania with paramagnetic oxygen vacancies for visible-light photocatalysis.

PubMed

Zou, Xiaoxin; Liu, Jikai; Su, Juan; Zuo, Fan; Chen, Jiesheng; Feng, Pingyun

2013-02-18

A novel dopant-free TiO(2) photocatalyst (V(o)(.)-TiO(2)), which is self-modified by a large number of paramagnetic (single-electron-trapped) oxygen vacancies, was prepared by calcining a mixture of a porous amorphous TiO(2) precursor, imidazole, and hydrochloric acid at elevated temperature (450 °C) in air. Control experiments demonstrate that the porous TiO(2) precursor, imidazole, and hydrochloric acid are all necessary for the formation of V(o)(.)-TiO(2). Although the synthesis of V(o)(.)-TiO(2) originates from such a multicomponent system, this synthetic approach is facile, controllable, and reproducible. X-ray diffraction, XPS, and EPR spectroscopy reveal that the V(o)(.)-TiO(2) material with a high crystallinity embodies a mass of paramagnetic oxygen vacancies, and is free of other dopant species such as nitrogen and carbon. UV/Vis diffuse-reflectance spectroscopy and photoelectrochemical measurement demonstrate that V(o)(.)-TiO(2) is a stable visible-light-responsive material with photogenerated charge separation efficiency higher than N-TiO(2) and P25 under visible-light irradiation. The V(o)(.)-TiO(2) material exhibits not only satisfactory thermal- and photostability, but also superior photocatalytic activity for H(2) evolution (115 μmol h(-1) g(-1)) from water with methanol as sacrificial reagent under visible light (λ>400 nm) irradiation. Furthermore, the effects of reaction temperature, ratio of starting materials (imidazole:TiO(2) precursor) and calcination time on the photocatalytic activity and the microstructure of V(o)(.)-TiO(2) were elucidated. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

NASA Astrophysics Data System (ADS)

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.

PubMed Central

Serteyn, D; Pincemail, J; Mottart, E; Caudron, I; Deby, C; Deby-Dupont, G; Philippart, C; Lamy, M

1994-01-01

This preliminary study demonstrated the existence of a free radical generation during an experimental postischemic muscular reperfusion in a halothane anesthetized horse. The authors used alpha-phényl-N-tert-butylnitrone as a spin trap agent and the electronic paramagnetic resonance method to observe in vivo a free radical generation. PMID:7889465

USSR Report, Cybernetics, Computers and Automation Technology.

DTIC Science & Technology

1987-03-02

Studies in the Area of EPR of Non- Ordered Solids, Spectral Recording, Processing and Analysis System (A.N. Bals, L.M. Kuzmina ; AVTOMETRIYA, No 2, Feb...L.M. Kuzmina , Riga] [Abstract] An automated system has been developed for electron paramagnetic resonance studies, oriented toward achievement of

Diamagnetic Corrections and Pascal's Constants

ERIC Educational Resources Information Center

Bain, Gordon A.; Berry, John F.

2008-01-01

Measured magnetic susceptibilities of paramagnetic substances must typically be corrected for their underlying diamagnetism. This correction is often accomplished by using tabulated values for the diamagnetism of atoms, ions, or whole molecules. These tabulated values can be problematic since many sources contain incomplete and conflicting data.…

Effects of intermediate-energy electrons on mechanical and molecular properties of a polyetherimide

NASA Technical Reports Server (NTRS)

Long, S. A. T.; Long, E. R., Jr.

1984-01-01

An experiment, using 100-keV electrons and 10 to the 9th -rad doses, was conducted on Ultem polyetherimide film. Mechanical, electron paramagnetic resonance, and infrared spectroscopic data suggested that the radiation produced crosslinking and embrittlement of the material.

Demonstrating the Curie Temperature in the Classroom

ERIC Educational Resources Information Center

Williams, David; Banks, Octavia; Eichmeyer, Livia; Wu, Cherrin

2018-01-01

Recent GCSE and IGCSE specifications include reference to both permanent and induced magnetism, giving the opportunity for novel classroom demonstrations based on ferromagnetism and paramagnetism, and the transition between these phases. Ferromagnetic materials lose their magnetism if raised above their Curie Temperature, a specific temperature…

Influence of Gold Nanoshell on Hyperthermia of Super Paramagnetic Iron Oxide Nanoparticles (SPIONs)

PubMed Central

Mohammad, Faruq; Balaji, Gopalan; Weber, Andrew; Uppu, Rao M.; Kumar, Challa S. S. R.

2010-01-01

Gold nanoshell around super paramagnetic iron oxide nanoparticles (SPIONs) was synthesized and small angle X-ray scattering (SAXS) analysis suggests a gold coating of approximately 0.4 to 0.5 nm thickness. On application of low frequency oscillating magnetic fields (44 – 430 Hz), a four- to five-fold increase in the amount of heat released with gold-coated SPIONs (6.3 nm size) in comparison with SPIONs (5.4 nm size) was observed. Details of the influence of frequencies of oscillating magnetic field, concentration and solvent on heat generation are presented. We also show that, in the absence of oscillating magnetic field, both SPIONs and SPIONs@Au are not particularly cytotoxic to mammalian cells (MCF-7 breast carcinoma cells and H9c2 cardiomyoblasts) in culture, as indicated by the reduction of 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium by viable cells in a phenazine methosulfate-assisted reaction. PMID:21103390

Magnetocaloric effect and magnetic properties in SmFe1-xMnxO3 perovskite: Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Erchidi Elyacoubi, A. S.; Masrour, R.; Jabar, A.

2018-03-01

We have used Monte Carlo simulation to study the magnetocaloric effect on SmFe1-xMnxO3 perovskite. The temperature-dependent magnetization shows that the Néel temperature of the weak-ferromagnetic SmFeO3 decreases as Fe ions are substituted by Mn ions. A paramagnetic-to-weak-antiferromagnetic transition with decreasing the temperature is observed and the corresponding Néel temperature essentially decreases as the Mn content increases. The magnetocaloric effect shows two peaks related to magnetic behavior changes, at paramagnetic-like behavior TK(K) and at Néel temperature TN(K) of SmFe1-xMnxO3. The second phase transition is established. The magnetic entropy change is given for a several magnetic fields. We have also determined the relative cooling power for dilution x = 0.5 and for a several external magnetic fields. Finally, the magnetic hysteresis cycles have been obtained with different dilutions x and temperatures values.

Structural and Mössbauer characterization of the ball-milled Fex(Al2O3)100-x system

NASA Astrophysics Data System (ADS)

Paesano, A.; Matsuda, C. K.; Cótica, L. F.; de Medeiros, S. N.; da Cunha, J. B. M.; Hallouche, B.; Silva, S. L.

2004-09-01

Metal-oxide composites were synthesized by high-energy ball milling of metallic iron (α-Fe) and alumina (α-Al2O3) powders, varying the starting relative concentration and the milling time. The samples were characterized by scanning electron microscopy, x-ray diffraction, and Mössbauer spectroscopy. The results revealed the formation of a FeAl2O3+W spinel phase (hercynite) and of iron (super)paramagnetic nanoprecipitates, in addition to residual magnetic iron and alumina. We also observed that the relative amounts of nanoprecipitates and hercynite for isochronally milled samples were correlated with the sample nominal concentration x, with the precursor iron being relatively more converted in those phases for low x values. Particularly for x =10 milled sample, the relative amounts of the (super)paramagnetic and spinel phases were observed to increase linearly with the milling time. An x =20/24h milled sample was annealed in H2 atmosphere and revealed the reduction of hercynite, with iron phase separation.

Effect of magnetic coupling on non-radiative relaxation time of Fe3+ sites on LaAl1-xFexO3 pigments

NASA Astrophysics Data System (ADS)

Novatski, A.; Somer, A.; Maranha, F. G.; de Souza, E. C. F.; Andrade, A. V. C.; Antunes, S. R. M.; Borges, C. P. F.; Dias, D. T.; Medina, A. N.; Astrath, N. G. C.

2018-02-01

Inorganic pigments of the system LaAl1-xFexO3 were prepared by the Pechini and the Solid State Reaction (SSR) methods. Magnetic interactions and non-radiative relaxation time were analyzed by means of phase-resolved photoacoustic spectroscopy and electron paramagnetic resonance (EPR) techniques. EPR results show a change in the magnetic behavior from paramagnetic (x = 0.2 and 0.4) to antiferromagnetic (x = 1.0), which is believed to be a result of the SSR preparation method. Trends in the optical absorption bands of the Fe3+ are attributed to their electronic transitions, and the increase in the band's intensity at 480 and 550 nm was assigned to the increase in the magnetic coupling between Fe-Fe. The phase-resolved method is capable of distinguishing between the two preparation methods, and it is possible to infer that SSR modifies the magnetic coupling of Fe-Fe with x.

NOTE: The effects of paramagnetic contrast agents on metabolite protons in aqueous solution

NASA Astrophysics Data System (ADS)

Murphy, Philip S.; Leach, Martin O.; Rowland, Ian J.

2002-03-01

The longitudinal (R1) and transverse (R2) relaxivities of the clinically used contrast agents Gd(DTPA)2-, Gd(DOTA)- and Gd(DTPA-BMA) have been determined in mixed aqueous metabolite solutions for choline, creatine and N-acetylaspartate. Measurements were performed at 1.5 T using a STEAM sequence on 25 mM metabolite solutions at pH = 7.4 and 22 °C. The data showed that for all the contrast agents and metabolites, R1 ~ R2. The largest range of relaxivity values was found for Gd(DTPA)2-, where R2 = 6.8 +/- 0.3 mM-1 s-1 for choline and 1.5 +/- 0.4 mM-1 s-1 for N-acetylaspartate. Variation in relaxivity values was attributed primarily to differences between the charges of the paramagnetic agent and metabolite. The maximum potential influence of the contrast agents on in vivo metabolite signals was calculated using the measured relaxivities.

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

NASA Astrophysics Data System (ADS)

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

2017-09-01

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

Modified Mason number for charged paramagnetic colloidal suspensions

NASA Astrophysics Data System (ADS)

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.

Electron spin resonance (ESR) dose measurement in bone of Hiroshima A-bomb victim.

PubMed

Kinoshita, Angela; Baffa, Oswaldo; Mascarenhas, Sérgio

2018-01-01

Explosion of the bombs in Hiroshima and Nagasaki corresponds to the only historical moment when atomic bombs were used against civilians. This event triggered countless investigations into the effects and dosimetry of ionizing radiation. However, none of the investigations has used the victims' bones as dosimeter. Here, we assess samples of bones obtained from fatal victims of the explosion by Electron Spin Resonance (ESR). In 1973, one of the authors of the present study (SM) traveled to Japan and conducted a preliminary experiment on the victims' bone samples. The idea was to use the paramagnetism induced in bone after irradiation to measure the radiation dose. Technological advances involved in the construction of spectrometers, better knowledge of the paramagnetic center, and improvement in signal processing techniques have allowed us to resume the investigation. We obtained a reconstructed dose of 9.46 ± 3.4 Gy from the jawbone, which was compatible with the dose distribution in different locations as measured in non-biological materials such as wall bricks and roof tiles.

Ab Initio High Pressure and Temperature Investigation on Cubic PbMoO3 Perovskite

NASA Astrophysics Data System (ADS)

Dar, Sajad Ahmad; Srivastava, Vipul; Sakalle, Umesh Kumar

2017-12-01

A combined high pressure and temperature investigation on recently reported cubic perovskite PbMoO3 have been performed within the most accurate density functional theory (DFT). The structure was found stable in cubic paramagnetic phase. The DFT calculated analytical and experimental lattice constant were found in good agreement. The analytical tolerance factor as well as the elastic properties further verifies the cubic stability for PbMoO3. The spin polarized electronic band structure and density of states presented metallic nature with symmetry in up and down states. The insignificant magnetic moment also confirms the paramagnetic nature for the compound. The high pressure elastic and mechanical study up to 35 GPa reveal the structural stability of the material in this pressure range. The compound was found to establish a ductile nature. The electrical conductivity obtained from the band structure results show a decreasing trend with increasing temperature. The temperature dependence of thermodynamic parameters such as specific heat ( C v), thermal expansion ( α) has also been evaluated.

Effect of the next-nearest-neighbor hopping on the charge collective modes in the paramagnetic phase of the Hubbard model

NASA Astrophysics Data System (ADS)

Dao, Vu Hung; Frésard, Raymond

2017-10-01

The charge dynamical response function of the t-t'-U Hubbard model is investigated on the square lattice in the thermodynamical limit. The correlation function is calculated from Gaussian fluctuations around the paramagnetic saddle-point within the Kotliar and Ruckenstein slave-boson representation. The next-nearest-neighbor hopping only slightly affects the renormalization of the quasiparticle mass. In contrast a negative t'/t notably decreases (increases) their velocity, and hence the zero-sound velocity, at positive (negative) doping. For low (high) density n ≲ 0.5 (n ≳ 1.5) we find that it enhances (reduces) the damping of the zero-sound mode. Furthermore it softens (hardens) the upper-Hubbard-band collective mode at positive (negative) doping. It is also shown that our results differ markedly from the random-phase approximation in the strong-coupling limit, even at high doping, while they compare favorably with existing quantum Monte Carlo numerical simulations.

Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moy, Franklin J.; Lee, Arthur; Gavrin, Lori Krim

2010-07-23

To aid in the pursuit of selective kinase inhibitors, we have developed a unique ATP site binder tool for the detection of binders outside the ATP site by nuclear magnetic resonance (NMR). We report here the novel synthesis that led to this paramagnetic spin-labeled pyrazolopyrimidine probe (1), which exhibits nanomolar inhibitory activity against multiple kinases. We demonstrate the application of this probe by performing NMR binding experiments with Lck and Src kinases and utilize it to detect the binding of two compounds proximal to the ATP site. The complex structure of the probe with Lck is also presented, revealing howmore » the probe fits in the ATP site and the specific interactions it has with the protein. We believe that this spin-labeled probe is a valuable tool that holds broad applicability in a screen for non-ATP site binders.« less

"Dark" Singlet Oxygen and Electron Paramagnetic Resonance Spin Trapping as Convenient Tools to Assess Photolytic Drug Degradation.

PubMed

Persich, Peter; Hostyn, Steven; Joie, Céline; Winderickx, Guy; Pikkemaat, Jeroen; Romijn, Edwin P; Maes, Bert U W

2017-05-01

Forced degradation studies are an important tool for a systematic assessment of decomposition pathways and identification of reactive sites in active pharmaceutical ingredients (APIs). Two methodologies have been combined in order to provide a deeper understanding of singlet oxygen-related degradation pathways of APIs under light irradiation. First, we report that a "dark" singlet oxygen test enables the investigation of drug reactivity toward singlet oxygen independently of photolytic irradiation processes. Second, the photosensitizing properties of the API producing the singlet oxygen was proven and quantified by spin trapping and electron paramagnetic resonance analysis. A combination of these techniques is an interesting addition to the forced degradation portfolio as it can be used for (1) revealing unexpected degradation pathways of APIs due to singlet oxygen, (2) clarifying photolytic drug-drug interactions in fixed-dose combinations, and (3) synthesizing larger quantities of hardly accessible oxidative drug degradants. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Optical detection of electron paramagnetic resonance in room-temperature electron-irradiated ZnO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vlasenko, L.S.; Watkins, G.D.

The dominant defect observed in the photoluminescence (PL) of room-temperature electron-irradiated ZnO by optical detection of electron paramagnetic resonance (ODEPR) is determined to be the positively charged oxygen vacancy (V{sub O}{sup +}). Its spectrum, labeled L3, was previously observed in a 4.2 K in situ irradiation study [Yu. V. Gorelkinskii and G. D. Watkins, Phys. Rev. B 69, 115212 (2004)], but it was thought there not to be stable at room temperature and was not identified. Here it is found to be stable to 400 deg. C, where it disappears. It is observed as a competing process (negative signal) tomore » the dominant PL band produced by the irradiation at {approx}700 nm, but is positive in a weaker band at {approx}600 nm. Models are presented for its electrical level position in the gap to explain the results. Two other ODEPR signals are also detected, one of which is tentatively identified as also associated with the oxygen vacancy.« less

Peptide-membrane Interactions by Spin-labeling EPR

PubMed Central

Smirnova, Tatyana I.; Smirnov, Alex I.

2016-01-01

Site-directed spin labeling (SDSL) in combination with Electron Paramagnetic Resonance (EPR) spectroscopy is a well-established method that has recently grown in popularity as an experimental technique, with multiple applications in protein and peptide science. The growth is driven by development of labeling strategies, as well as by considerable technical advances in the field, that are paralleled by an increased availability of EPR instrumentation. While the method requires an introduction of a paramagnetic probe at a well-defined position in a peptide sequence, it has been shown to be minimally destructive to the peptide structure and energetics of the peptide-membrane interactions. In this chapter, we describe basic approaches for using SDSL EPR spectroscopy to study interactions between small peptides and biological membranes or membrane mimetic systems. We focus on experimental approaches to quantify peptide-membrane binding, topology of bound peptides, and characterize peptide aggregation. Sample preparation protocols including spin-labeling methods and preparation of membrane mimetic systems are also described. PMID:26477253

Quantitative Interpretation of Multifrequency Multimode EPR Spectra of Metal Containing Proteins, Enzymes, and Biomimetic Complexes.

PubMed

Petasis, Doros T; Hendrich, Michael P

2015-01-01

Electron paramagnetic resonance (EPR) spectroscopy has long been a primary method for characterization of paramagnetic centers in materials and biological complexes. Transition metals in biological complexes have valence d-orbitals that largely define the chemistry of the metal centers. EPR spectra are distinctive for metal type, oxidation state, protein environment, substrates, and inhibitors. The study of many metal centers in proteins, enzymes, and biomimetic complexes has led to the development of a systematic methodology for quantitative interpretation of EPR spectra from a wide array of metal containing complexes. The methodology is now contained in the computer program SpinCount. SpinCount allows simulation of EPR spectra from any sample containing multiple species composed of one or two metals in any spin state. The simulations are quantitative, thus allowing determination of all species concentrations in a sample directly from spectra. This chapter will focus on applications to transition metals in biological systems using EPR spectra from multiple microwave frequencies and modes. © 2015 Elsevier Inc. All rights reserved.

Temperature-dependent electron paramagnetic resonance detect oxygen vacancy defects and Cr valence of tetragonal Ba(Ti1-xCrx)O3 ceramics

NASA Astrophysics Data System (ADS)

Han, Dan-Dan; Lu, Da-Yong; Meng, Fan-Ling; Yu, Xin-Yu

2018-03-01

Temperature-dependent electron paramagnetic resonance (EPR) study was employed to detect oxygen vacancy defects in the tetragonal Ba(Ti1-xCrx)O3 (x = 5%) ceramic for the first time. In the rhombohedral phase below -150 °C, an EPR signal at g = 1.955 appeared in the insulating Ba(Ti1-xCrx)O3 (x = 5%) ceramic with an electrical resistivity of 108 Ω cm and was assigned to ionized oxygen vacancy defects. Ba(Ti1-xCrx)O3 ceramics exhibited a tetragonal structure except Ba(Ti1-xCrx)O3 (x = 10%) with a tetragonal-hexagonal mixed phase and a first-order phase transition dielectric behavior (ε‧m > 11,000). Mixed valence Cr ions could coexist in ceramics, form CrTi‧-VOrad rad or CrTirad-TiTi‧ defect complexes and make no contribution to a dielectric peak shift towards low temperature.

Modeling Patient-Specific Magnetic Drug Targeting Within the Intracranial Vasculature

PubMed Central

Patronis, Alexander; Richardson, Robin A.; Schmieschek, Sebastian; Wylie, Brian J. N.; Nash, Rupert W.; Coveney, Peter V.

2018-01-01

Drug targeting promises to substantially enhance future therapies, for example through the focussing of chemotherapeutic drugs at the site of a tumor, thus reducing the exposure of healthy tissue to unwanted damage. Promising work on the steering of medication in the human body employs magnetic fields acting on nanoparticles made of paramagnetic materials. We develop a computational tool to aid in the optimization of the physical parameters of these particles and the magnetic configuration, estimating the fraction of particles reaching a given target site in a large patient-specific vascular system for different physiological states (heart rate, cardiac output, etc.). We demonstrate the excellent computational performance of our model by its application to the simulation of paramagnetic-nanoparticle-laden flows in a circle of Willis geometry obtained from an MRI scan. The results suggest a strong dependence of the particle density at the target site on the strength of the magnetic forcing and the velocity of the background fluid flow. PMID:29725303

Some recent multi-frequency electron paramagnetic resonance results on systems relevant for dosimetry and dating.

PubMed

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.

One- and two-dimensional pulse electron paramagnetic resonance spectroscopy: concepts and applications.

PubMed

Van Doorslaer, S; Schweiger, A

2000-06-01

During the last two decades, the possibilities of pulse electron paramagnetic resonance (EPR) and pulse electron nuclear double resonance (ENDOR) spectroscopy have increased tremendously. While at the beginning of the 1980s pulse-EPR and ENDOR applications were still a rarity, the techniques are now very frequently applied in chemistry, physics, materials science, biology and mineralogy. This is mainly due to the considerable efforts invested in the last few years on instrument development and pulse-sequence design. Pulse-EPR spectrometers are now commercially available, which enables many research groups to use these techniques. In this work, an overview of state-of-the-art pulse EPR and ENDOR spectroscopy is given. The rapid expansion of the field, however, does not allow us to give an exhaustive record of all the pulse methods introduced so far. After a brief and very qualitative description of the basic principles of pulse EPR, we discuss some of the experiments in more detail and illustrate the potential of the methods with a number of selected applications.

Positive Effect of Propolis on Free Radicals in Burn Wounds

PubMed Central

Olczyk, Pawel; Ramos, Pawel; Komosinska-Vassev, Katarzyna; Stojko, Jerzy; Pilawa, Barbara

2013-01-01

Concentration and properties of free radicals in the burn wounds treated with propolis were examined by the use of electron paramagnetic resonance spectroscopy. Magnetic spin-spin interactions and complex free radicals structures in wound beds were studied. The results were compared to those obtained for silver sulphadiazine used as a standard pharmaceutical agent. The changes of free radicals in the matrix of injury with time of exposition on these substances were tested. The aim of this study was to check the hypothesis about the best influence of propolis on the burn wounds healing. It was confirmed that a relatively lower concentration of free radicals exists in the burn wounds treated with propolis. The homogeneously broadened spectra and a complex free radical system characterize the tested tissue samples. The fastening of spin-lattice relaxation processes in the matrix of injury after treatment with propolis and silver sulphadiazine was observed. Practical usefulness of electron paramagnetic resonance spectroscopy in alternative medicine was proved. PMID:23762125

Probing α -RuCl3 Beyond Magnetic Order: Effects of Temperature and Magnetic Field

NASA Astrophysics Data System (ADS)

Winter, Stephen M.; Riedl, Kira; Kaib, David; Coldea, Radu; Valentí, Roser

2018-02-01

Recent studies have brought α -RuCl3 to the forefront of experimental searches for materials realizing Kitaev spin-liquid physics. This material exhibits strongly anisotropic exchange interactions afforded by the spin-orbit coupling of the 4 d Ru centers. We investigate the dynamical response at finite temperature and magnetic field for a realistic model of the magnetic interactions in α -RuCl3 . These regimes are thought to host unconventional paramagnetic states that emerge from the suppression of magnetic order. Using exact diagonalization calculations of the quantum model complemented by semiclassical analysis, we find a very rich evolution of the spin dynamics as the applied field suppresses the zigzag order and stabilizes a quantum paramagnetic state that is adiabatically connected to the fully polarized state at high fields. At finite temperature, we observe large redistributions of spectral weight that can be attributed to the anisotropic frustration of the model. These results are compared to recent experiments and provide a road map for further studies of these regimes.

Longitudinal Tracking of Human Fetal Cells Labeled with Super Paramagnetic Iron Oxide Nanoparticles in the Brain of Mice with Motor Neuron Disease

PubMed Central

Bigini, Paolo; Diana, Valentina; Barbera, Sara; Fumagalli, Elena; Micotti, Edoardo; Sitia, Leopoldo; Paladini, Alessandra; Bisighini, Cinzia; De Grada, Laura; Coloca, Laura; Colombo, Laura; Manca, Pina; Bossolasco, Patrizia; Malvestiti, Francesca; Fiordaliso, Fabio; Forloni, Gianluigi; Morbidelli, Massimo; Salmona, Mario; Giardino, Daniela; Mennini, Tiziana; Moscatelli, Davide; Silani, Vincenzo; Cova, Lidia

2012-01-01

Stem Cell (SC) therapy is one of the most promising approaches for the treatment of Amyotrophic Lateral Sclerosis (ALS). Here we employed Super Paramagnetic Iron Oxide nanoparticles (SPIOn) and Hoechst 33258 to track human Amniotic Fluid Cells (hAFCs) after transplantation in the lateral ventricles of wobbler (a murine model of ALS) and healthy mice. By in vitro, in vivo and ex vivo approaches we found that: 1) the main physical parameters of SPIOn were maintained over time; 2) hAFCs efficiently internalized SPIOn into the cytoplasm while Hoechst 33258 labeled nuclei; 3) SPIOn internalization did not alter survival, cell cycle, proliferation, metabolism and phenotype of hAFCs; 4) after transplantation hAFCs rapidly spread to the whole ventricular system, but did not migrate into the brain parenchyma; 5) hAFCs survived for a long time in the ventricles of both wobbler and healthy mice; 6) the transplantation of double-labeled hAFCs did not influence mice survival. PMID:22384217

Reconfigurable paramagnetic microswimmers: Brownian motion affects non-reciprocal actuation.

PubMed

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

2018-05-09

Swimming at low Reynolds number is typically dominated by a large viscous drag, therefore microscale swimmers require non-reciprocal body deformation to generate locomotion. Purcell described a simple mechanical swimmer at the microscale consisting of three rigid components connected together with two hinges. Here we present a simple microswimmer consisting of two rigid paramagnetic particles with different sizes. When placed in an eccentric magnetic field, this simple microswimmer exhibits non-reciprocal body motion and its swimming locomotion can be directed in a controllable manner. Additional components can be added to create a multibody microswimmer, whereby the particles act cooperatively and translate in a given direction. For some multibody swimmers, the stochastic thermal forces fragment the arm, which therefore modifies the swimming strokes and changes the locomotive speed. This work offers insight into directing the motion of active systems with novel time-varying magnetic fields. It also reveals that Brownian motion not only affects the locomotion of reciprocal swimmers that are subject to the Scallop theorem, but also affects that of non-reciprocal swimmers.